# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/75b73754-bd3a-4f50-b843-a2d03a0e1f9a/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 Na3GaB4O9 / P2_1/m (11) / materials id 766463](https://mdr.nims.go.jp/datasets/c2aee3cd-7566-4212-b9ba-bd86bc9d50a9) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/m" number: 11 Hall_symbol: "-P 2yb"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.247915380000000, 0.000000000000000, -0.000243870000000 ] # a - [ 0.000000000000000, 8.712182329999999, 0.000000000000000 ] # b - [ -1.073157560000000, 0.000000000000000, 6.738283490000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.747149980000000, 0.533786780000000, 0.824211480000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.747149980000000, 0.966213220000000, 0.824211480000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.577527970000000, 0.250000000000000, 0.505162010000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.422472030000000, 0.750000000000000, 0.494837990000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.252850020000000, 0.033786780000000, 0.175788520000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.252850020000000, 0.466213220000000, 0.175788520000000 ] mass: 22.989769 - symbol: Ga # 7 coordinates: [ 0.794200380000000, 0.250000000000000, 0.135500660000000 ] mass: 69.723000 - symbol: Ga # 8 coordinates: [ 0.205799620000000, 0.750000000000000, 0.864499340000000 ] mass: 69.723000 - symbol: B # 9 coordinates: [ 0.984959230000000, 0.250000000000000, 0.781199920000000 ] mass: 10.811000 - symbol: B # 10 coordinates: [ 0.877174680000000, 0.750000000000000, 0.526942540000000 ] mass: 10.811000 - symbol: B # 11 coordinates: [ 0.754899440000000, 0.544564270000000, 0.280943930000000 ] mass: 10.811000 - symbol: B # 12 coordinates: [ 0.754899440000000, 0.955435730000000, 0.280943930000000 ] mass: 10.811000 - symbol: B # 13 coordinates: [ 0.245100560000000, 0.044564270000000, 0.719056070000000 ] mass: 10.811000 - symbol: B # 14 coordinates: [ 0.245100560000000, 0.455435730000000, 0.719056070000000 ] mass: 10.811000 - symbol: B # 15 coordinates: [ 0.122825320000000, 0.250000000000000, 0.473057460000000 ] mass: 10.811000 - symbol: B # 16 coordinates: [ 0.015040770000000, 0.750000000000000, 0.218800080000000 ] mass: 10.811000 - symbol: O # 17 coordinates: [ 0.883488720000000, 0.608361960000000, 0.154615830000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.883488720000000, 0.891638040000000, 0.154615830000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.933596630000000, 0.250000000000000, 0.567278850000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.923782810000000, 0.750000000000000, 0.740436570000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.735110110000000, 0.611003680000000, 0.460515480000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.735110110000000, 0.888996320000000, 0.460515480000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.783562980000000, 0.250000000000000, 0.865119350000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.637830860000000, 0.087093160000000, 0.221568510000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.637830860000000, 0.412906840000000, 0.221568510000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.362169140000000, 0.912906840000000, 0.778431490000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.362169140000000, 0.587093160000000, 0.778431490000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.216437020000000, 0.750000000000000, 0.134880650000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.264889890000000, 0.111003680000000, 0.539484520000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.264889890000000, 0.388996320000000, 0.539484520000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.076217190000000, 0.250000000000000, 0.259563430000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.066403370000000, 0.750000000000000, 0.432721150000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.116511280000000, 0.108361960000000, 0.845384170000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.116511280000000, 0.391638040000000, 0.845384170000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.160054379036284, 0.000000000000000, 0.025490700581061 ] # a* - [ 0.000000000000000, 0.114781803470360, 0.000000000000000 ] # b* - [ 0.000005792641624, 0.000000000000000, 0.148406670319113 ] # c*unit_cell: lattice: - [ 6.247915380000000, 0.000000000000000, -0.000243870000000 ] # a - [ 0.000000000000000, 8.712182329999999, 0.000000000000000 ] # b - [ -1.073157560000000, 0.000000000000000, 6.738283490000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.747149980000000, 0.533786780000000, 0.824211480000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.747149980000000, 0.966213220000000, 0.824211480000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.577527970000000, 0.250000000000000, 0.505162010000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.422472030000000, 0.750000000000000, 0.494837990000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.252850020000000, 0.033786780000000, 0.175788520000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.252850020000000, 0.466213220000000, 0.175788520000000 ] mass: 22.989769 reduced_to: 6 - symbol: Ga # 7 coordinates: [ 0.794200380000000, 0.250000000000000, 0.135500660000000 ] mass: 69.723000 reduced_to: 7 - symbol: Ga # 8 coordinates: [ 0.205799620000000, 0.750000000000000, 0.864499340000000 ] mass: 69.723000 reduced_to: 8 - symbol: B # 9 coordinates: [ 0.984959230000000, 0.250000000000000, 0.781199920000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.877174680000000, 0.750000000000000, 0.526942540000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 11 coordinates: [ 0.754899440000000, 0.544564270000000, 0.280943930000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.754899440000000, 0.955435730000000, 0.280943930000000 ] mass: 10.811000 reduced_to: 12 - symbol: B # 13 coordinates: [ 0.245100560000000, 0.044564270000000, 0.719056070000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.245100560000000, 0.455435730000000, 0.719056070000000 ] mass: 10.811000 reduced_to: 14 - symbol: B # 15 coordinates: [ 0.122825320000000, 0.250000000000000, 0.473057460000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 16 coordinates: [ 0.015040770000000, 0.750000000000000, 0.218800080000000 ] mass: 10.811000 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.883488720000000, 0.608361960000000, 0.154615830000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.883488720000000, 0.891638040000000, 0.154615830000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.933596630000000, 0.250000000000000, 0.567278850000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.923782810000000, 0.750000000000000, 0.740436570000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.735110110000000, 0.611003680000000, 0.460515480000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.735110110000000, 0.888996320000000, 0.460515480000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.783562980000000, 0.250000000000000, 0.865119350000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.637830860000000, 0.087093160000000, 0.221568510000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.637830860000000, 0.412906840000000, 0.221568510000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.362169140000000, 0.912906840000000, 0.778431490000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.362169140000000, 0.587093160000000, 0.778431490000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.216437020000000, 0.750000000000000, 0.134880650000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.264889890000000, 0.111003680000000, 0.539484520000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.264889890000000, 0.388996320000000, 0.539484520000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.076217190000000, 0.250000000000000, 0.259563430000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.066403370000000, 0.750000000000000, 0.432721150000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.116511280000000, 0.108361960000000, 0.845384170000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.116511280000000, 0.391638040000000, 0.845384170000000 ] mass: 15.999400 reduced_to: 34supercell: lattice: - [ 12.495830760000000, 0.000000000000000, -0.000487740000000 ] # a - [ 0.000000000000000, 8.712182329999999, 0.000000000000000 ] # b - [ -2.146315120000000, 0.000000000000000, 13.476566979999999 ] # c points: - symbol: Na # 1 coordinates: [ 0.373574990000000, 0.533786780000000, 0.412105740000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.873574990000000, 0.533786780000000, 0.412105740000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.373574990000000, 0.533786780000000, 0.912105740000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.873574990000000, 0.533786780000000, 0.912105740000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 5 coordinates: [ 0.373574990000000, 0.966213220000000, 0.412105740000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.873574990000000, 0.966213220000000, 0.412105740000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 7 coordinates: [ 0.373574990000000, 0.966213220000000, 0.912105740000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 8 coordinates: [ 0.873574990000000, 0.966213220000000, 0.912105740000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 9 coordinates: [ 0.288763985000000, 0.250000000000000, 0.252581005000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.788763985000000, 0.250000000000000, 0.252581005000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.288763985000000, 0.250000000000000, 0.752581005000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 12 coordinates: [ 0.788763985000000, 0.250000000000000, 0.752581005000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 13 coordinates: [ 0.211236015000000, 0.750000000000000, 0.247418995000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.711236015000000, 0.750000000000000, 0.247418995000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.211236015000000, 0.750000000000000, 0.747418995000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 16 coordinates: [ 0.711236015000000, 0.750000000000000, 0.747418995000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 17 coordinates: [ 0.126425010000000, 0.033786780000000, 0.087894260000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.626425010000000, 0.033786780000000, 0.087894260000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 19 coordinates: [ 0.126425010000000, 0.033786780000000, 0.587894260000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 20 coordinates: [ 0.626425010000000, 0.033786780000000, 0.587894260000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 21 coordinates: [ 0.126425010000000, 0.466213220000000, 0.087894260000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.626425010000000, 0.466213220000000, 0.087894260000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 23 coordinates: [ 0.126425010000000, 0.466213220000000, 0.587894260000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 24 coordinates: [ 0.626425010000000, 0.466213220000000, 0.587894260000000 ] mass: 22.989769 reduced_to: 21 - symbol: Ga # 25 coordinates: [ 0.397100190000000, 0.250000000000000, 0.067750330000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 26 coordinates: [ 0.897100190000000, 0.250000000000000, 0.067750330000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 27 coordinates: [ 0.397100190000000, 0.250000000000000, 0.567750330000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 28 coordinates: [ 0.897100190000000, 0.250000000000000, 0.567750330000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 29 coordinates: [ 0.102899810000000, 0.750000000000000, 0.432249670000000 ] mass: 69.723000 reduced_to: 29 - symbol: Ga # 30 coordinates: [ 0.602899810000000, 0.750000000000000, 0.432249670000000 ] mass: 69.723000 reduced_to: 29 - symbol: Ga # 31 coordinates: [ 0.102899810000000, 0.750000000000000, 0.932249670000000 ] mass: 69.723000 reduced_to: 29 - symbol: Ga # 32 coordinates: [ 0.602899810000000, 0.750000000000000, 0.932249670000000 ] mass: 69.723000 reduced_to: 29 - symbol: B # 33 coordinates: [ 0.492479615000000, 0.250000000000000, 0.390599960000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 34 coordinates: [ 0.992479615000000, 0.250000000000000, 0.390599960000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 35 coordinates: [ 0.492479615000000, 0.250000000000000, 0.890599960000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 36 coordinates: [ 0.992479615000000, 0.250000000000000, 0.890599960000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 37 coordinates: [ 0.438587340000000, 0.750000000000000, 0.263471270000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 38 coordinates: [ 0.938587340000000, 0.750000000000000, 0.263471270000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 39 coordinates: [ 0.438587340000000, 0.750000000000000, 0.763471270000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 40 coordinates: [ 0.938587340000000, 0.750000000000000, 0.763471270000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 41 coordinates: [ 0.377449720000000, 0.544564270000000, 0.140471965000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 42 coordinates: [ 0.877449720000000, 0.544564270000000, 0.140471965000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 43 coordinates: [ 0.377449720000000, 0.544564270000000, 0.640471965000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 44 coordinates: [ 0.877449720000000, 0.544564270000000, 0.640471965000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 45 coordinates: [ 0.377449720000000, 0.955435730000000, 0.140471965000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 46 coordinates: [ 0.877449720000000, 0.955435730000000, 0.140471965000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 47 coordinates: [ 0.377449720000000, 0.955435730000000, 0.640471965000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 48 coordinates: [ 0.877449720000000, 0.955435730000000, 0.640471965000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 49 coordinates: [ 0.122550280000000, 0.044564270000000, 0.359528035000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 50 coordinates: [ 0.622550280000000, 0.044564270000000, 0.359528035000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 51 coordinates: [ 0.122550280000000, 0.044564270000000, 0.859528035000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 52 coordinates: [ 0.622550280000000, 0.044564270000000, 0.859528035000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 53 coordinates: [ 0.122550280000000, 0.455435730000000, 0.359528035000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 54 coordinates: [ 0.622550280000000, 0.455435730000000, 0.359528035000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 55 coordinates: [ 0.122550280000000, 0.455435730000000, 0.859528035000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 56 coordinates: [ 0.622550280000000, 0.455435730000000, 0.859528035000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 57 coordinates: [ 0.061412660000000, 0.250000000000000, 0.236528730000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 58 coordinates: [ 0.561412660000000, 0.250000000000000, 0.236528730000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 59 coordinates: [ 0.061412660000000, 0.250000000000000, 0.736528730000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 60 coordinates: [ 0.561412660000000, 0.250000000000000, 0.736528730000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 61 coordinates: [ 0.007520385000000, 0.750000000000000, 0.109400040000000 ] mass: 10.811000 reduced_to: 61 - symbol: B # 62 coordinates: [ 0.507520385000000, 0.750000000000000, 0.109400040000000 ] mass: 10.811000 reduced_to: 61 - symbol: B # 63 coordinates: [ 0.007520385000000, 0.750000000000000, 0.609400040000000 ] mass: 10.811000 reduced_to: 61 - symbol: B # 64 coordinates: [ 0.507520385000000, 0.750000000000000, 0.609400040000000 ] mass: 10.811000 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.441744360000000, 0.608361960000000, 0.077307915000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.941744360000000, 0.608361960000000, 0.077307915000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.441744360000000, 0.608361960000000, 0.577307915000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.941744360000000, 0.608361960000000, 0.577307915000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.441744360000000, 0.891638040000000, 0.077307915000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.941744360000000, 0.891638040000000, 0.077307915000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.441744360000000, 0.891638040000000, 0.577307915000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.941744360000000, 0.891638040000000, 0.577307915000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.466798315000000, 0.250000000000000, 0.283639425000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.966798315000000, 0.250000000000000, 0.283639425000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.466798315000000, 0.250000000000000, 0.783639425000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.966798315000000, 0.250000000000000, 0.783639425000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.461891405000000, 0.750000000000000, 0.370218285000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.961891405000000, 0.750000000000000, 0.370218285000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.461891405000000, 0.750000000000000, 0.870218285000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.961891405000000, 0.750000000000000, 0.870218285000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.367555055000000, 0.611003680000000, 0.230257740000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.867555055000000, 0.611003680000000, 0.230257740000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.367555055000000, 0.611003680000000, 0.730257740000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.867555055000000, 0.611003680000000, 0.730257740000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.367555055000000, 0.888996320000000, 0.230257740000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.867555055000000, 0.888996320000000, 0.230257740000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.367555055000000, 0.888996320000000, 0.730257740000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.867555055000000, 0.888996320000000, 0.730257740000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.391781490000000, 0.250000000000000, 0.432559675000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.891781490000000, 0.250000000000000, 0.432559675000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.391781490000000, 0.250000000000000, 0.932559675000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.891781490000000, 0.250000000000000, 0.932559675000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.318915430000000, 0.087093160000000, 0.110784255000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.818915430000000, 0.087093160000000, 0.110784255000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.318915430000000, 0.087093160000000, 0.610784255000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.818915430000000, 0.087093160000000, 0.610784255000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.318915430000000, 0.412906840000000, 0.110784255000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.818915430000000, 0.412906840000000, 0.110784255000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.318915430000000, 0.412906840000000, 0.610784255000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.818915430000000, 0.412906840000000, 0.610784255000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.181084570000000, 0.912906840000000, 0.389215745000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.681084570000000, 0.912906840000000, 0.389215745000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.181084570000000, 0.912906840000000, 0.889215745000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.681084570000000, 0.912906840000000, 0.889215745000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.181084570000000, 0.587093160000000, 0.389215745000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.681084570000000, 0.587093160000000, 0.389215745000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.181084570000000, 0.587093160000000, 0.889215745000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.681084570000000, 0.587093160000000, 0.889215745000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.108218510000000, 0.750000000000000, 0.067440325000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.608218510000000, 0.750000000000000, 0.067440325000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.108218510000000, 0.750000000000000, 0.567440325000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.608218510000000, 0.750000000000000, 0.567440325000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.132444945000000, 0.111003680000000, 0.269742260000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.632444945000000, 0.111003680000000, 0.269742260000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.132444945000000, 0.111003680000000, 0.769742260000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.632444945000000, 0.111003680000000, 0.769742260000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.132444945000000, 0.388996320000000, 0.269742260000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.632444945000000, 0.388996320000000, 0.269742260000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.132444945000000, 0.388996320000000, 0.769742260000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 120 coordinates: [ 0.632444945000000, 0.388996320000000, 0.769742260000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 121 coordinates: [ 0.038108595000000, 0.250000000000000, 0.129781715000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.538108595000000, 0.250000000000000, 0.129781715000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.038108595000000, 0.250000000000000, 0.629781715000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.538108595000000, 0.250000000000000, 0.629781715000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.033201685000000, 0.750000000000000, 0.216360575000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.533201685000000, 0.750000000000000, 0.216360575000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.033201685000000, 0.750000000000000, 0.716360575000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 128 coordinates: [ 0.533201685000000, 0.750000000000000, 0.716360575000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 129 coordinates: [ 0.058255640000000, 0.108361960000000, 0.422692085000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.558255640000000, 0.108361960000000, 0.422692085000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 131 coordinates: [ 0.058255640000000, 0.108361960000000, 0.922692085000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 132 coordinates: [ 0.558255640000000, 0.108361960000000, 0.922692085000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 133 coordinates: [ 0.058255640000000, 0.391638040000000, 0.422692085000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.558255640000000, 0.391638040000000, 0.422692085000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.058255640000000, 0.391638040000000, 0.922692085000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 136 coordinates: [ 0.558255640000000, 0.391638040000000, 0.922692085000000 ] mass: 15.999400 reduced_to: 133displacements:- atom: 1 displacement: [ 0.0099999999923824, 0.0000000000000000, -0.0000003903221875 ] forces: - [ -0.0280341700000000, -0.0069278200000000, -0.0017413000000000 ] - [ 0.0014701300000000, -0.0001049200000000, 0.0002138400000000 ] - [ -0.0002681800000000, -0.0000661500000000, -0.0000119400000000 ] - [ 0.0001044700000000, -0.0000620100000000, 0.0003137900000000 ] - [ -0.0016757700000000, -0.0000823300000000, 0.0003166800000000 ] - [ 0.0008286200000000, 0.0000457200000000, 0.0001685200000000 ] - [ -0.0002541600000000, 0.0000557700000000, 0.0000172800000000 ] - [ 0.0000927100000000, 0.0000649100000000, 0.0003018000000000 ] - [ -0.0021222600000000, 0.0012729200000000, 0.0011896500000000 ] - [ 0.0007301600000000, -0.0001487600000000, 0.0000701500000000 ] - [ -0.0004828200000000, 0.0001668800000000, -0.0001458100000000 ] - [ -0.0000695300000000, -0.0000321100000000, 0.0002992500000000 ] - [ -0.0001590100000000, -0.0018817200000000, 0.0023055500000000 ] - [ 0.0012176200000000, 0.0002287500000000, -0.0006057400000000 ] - [ 0.0000947700000000, -0.0000692800000000, -0.0005611000000000 ] - [ 0.0006308000000000, 0.0000258900000000, 0.0001918200000000 ] - [ -0.0002566000000000, 0.0000067200000000, 0.0000763500000000 ] - [ 0.0004258000000000, -0.0000933900000000, -0.0004244900000000 ] - [ 0.0000775100000000, -0.0001878800000000, -0.0006191000000000 ] - [ 0.0002241300000000, 0.0000615300000000, 0.0002868400000000 ] - [ -0.0002383300000000, -0.0000099200000000, 0.0005137100000000 ] - [ 0.0004525500000000, 0.0001027300000000, -0.0006304000000000 ] - [ 0.0010133900000000, 0.0004078700000000, -0.0016332300000000 ] - [ 0.0013380800000000, -0.0002691400000000, 0.0020044300000000 ] - [ -0.0005008300000000, 0.0000496000000000, -0.0006970300000000 ] - [ 0.0011794000000000, -0.0000468600000000, 0.0006566200000000 ] - [ -0.0036230500000000, 0.0010671100000000, 0.0005782600000000 ] - [ 0.0015785100000000, -0.0000901200000000, -0.0003058200000000 ] - [ 0.0045510200000000, -0.0050822200000000, -0.0015161700000000 ] - [ 0.0049381400000000, 0.0049477800000000, 0.0010491000000000 ] - [ -0.0004844800000000, -0.0000273300000000, 0.0001256000000000 ] - [ -0.0000823500000000, 0.0000192500000000, -0.0003290100000000 ] - [ -0.0029507600000000, -0.0086882500000000, -0.0011068000000000 ] - [ 0.0029008700000000, 0.0018066400000000, -0.0006964400000000 ] - [ 0.0003915100000000, -0.0000271800000000, -0.0010385500000000 ] - [ 0.0004464700000000, 0.0000339300000000, -0.0007545900000000 ] - [ -0.0004800000000000, 0.0020703300000000, -0.0054930000000000 ] - [ 0.0023374800000000, -0.0000872900000000, 0.0015398000000000 ] - [ 0.0001358700000000, -0.0001020600000000, 0.0002493000000000 ] - [ 0.0016345800000000, 0.0000246100000000, 0.0002108200000000 ] - [ 0.0004247600000000, 0.0006117400000000, -0.0004491800000000 ] - [ 0.0012216300000000, 0.0014812600000000, 0.0008301800000000 ] - [ -0.0030473300000000, -0.0018322800000000, -0.0005775600000000 ] - [ 0.0015691600000000, 0.0018128200000000, 0.0004262400000000 ] - [ 0.0004285300000000, -0.0008346900000000, 0.0001095100000000 ] - [ 0.0010579200000000, -0.0014534500000000, 0.0008021900000000 ] - [ -0.0003296000000000, -0.0006902500000000, 0.0007927700000000 ] - [ 0.0013712800000000, -0.0015782200000000, 0.0003710000000000 ] - [ -0.0002517100000000, 0.0005256000000000, -0.0002858900000000 ] - [ 0.0000436800000000, 0.0011859000000000, -0.0010772900000000 ] - [ -0.0007856200000000, 0.0013386800000000, -0.0007217900000000 ] - [ -0.0005994300000000, 0.0011138100000000, -0.0005006200000000 ] - [ 0.0067532300000000, 0.0048566700000000, 0.0020870200000000 ] - [ 0.0061393900000000, -0.0001806500000000, -0.0048910600000000 ] - [ -0.0007701800000000, -0.0013812300000000, -0.0007869600000000 ] - [ -0.0006069600000000, -0.0010825500000000, -0.0004616100000000 ] - [ 0.0006168300000000, 0.0024357700000000, 0.0013602000000000 ] - [ -0.0005656000000000, -0.0013367000000000, -0.0020638100000000 ] - [ -0.0009221900000000, 0.0000729300000000, -0.0005987500000000 ] - [ -0.0011374200000000, 0.0000160600000000, 0.0004347700000000 ] - [ -0.0004245700000000, -0.0000422600000000, 0.0020258300000000 ] - [ -0.0002770800000000, 0.0000522600000000, -0.0004862700000000 ] - [ 0.0015775600000000, 0.0000802600000000, 0.0000690600000000 ] - [ -0.0019043600000000, 0.0009540300000000, 0.0028690300000000 ] - [ 0.0001801900000000, -0.0004061200000000, 0.0004669500000000 ] - [ -0.0002628800000000, -0.0007906000000000, -0.0001200100000000 ] - [ 0.0041209100000000, 0.0007252100000000, 0.0010648700000000 ] - [ -0.0009989100000000, -0.0009823300000000, 0.0004764300000000 ] - [ 0.0002596000000000, 0.0003710500000000, 0.0005254500000000 ] - [ -0.0002130000000000, 0.0008428900000000, -0.0001669500000000 ] - [ 0.0012902800000000, -0.0000137200000000, -0.0002487200000000 ] - [ -0.0008628100000000, 0.0010013800000000, 0.0004170600000000 ] - [ 0.0005811500000000, 0.0016221400000000, 0.0018256600000000 ] - [ -0.0011782500000000, -0.0007158400000000, 0.0000648300000000 ] - [ 0.0003852300000000, -0.0000562600000000, 0.0004669000000000 ] - [ -0.0000781000000000, -0.0000107900000000, 0.0005004900000000 ] - [ 0.0065119100000000, 0.0054490700000000, -0.0010406800000000 ] - [ -0.0017575200000000, 0.0006443200000000, -0.0013963400000000 ] - [ 0.0004313200000000, 0.0000229900000000, -0.0003771300000000 ] - [ 0.0000689800000000, -0.0000005200000000, -0.0006046300000000 ] - [ 0.0017625200000000, 0.0000594800000000, 0.0009740800000000 ] - [ -0.0017702500000000, -0.0005986700000000, -0.0004530400000000 ] - [ 0.0000030100000000, 0.0004178100000000, -0.0003117700000000 ] - [ -0.0013644900000000, -0.0004756700000000, -0.0000878500000000 ] - [ 0.0002134300000000, -0.0003637100000000, 0.0010607500000000 ] - [ -0.0016505800000000, 0.0006498500000000, -0.0005305200000000 ] - [ -0.0004413600000000, 0.0002501600000000, -0.0001459400000000 ] - [ -0.0013301300000000, 0.0003944900000000, -0.0000607200000000 ] - [ 0.0042267100000000, 0.0002268800000000, -0.0009369200000000 ] - [ -0.0025002400000000, -0.0002532400000000, 0.0002080100000000 ] - [ -0.0005332000000000, -0.0000146000000000, 0.0000735200000000 ] - [ -0.0008759900000000, 0.0000071000000000, -0.0004581000000000 ] - [ 0.0004806400000000, 0.0004119500000000, 0.0001141100000000 ] - [ -0.0007127700000000, 0.0007059400000000, -0.0002924300000000 ] - [ 0.0007303700000000, 0.0002274500000000, -0.0000934800000000 ] - [ -0.0008139300000000, 0.0007488200000000, -0.0002279600000000 ] - [ 0.0007286100000000, -0.0003047500000000, 0.0000761000000000 ] - [ -0.0007829800000000, -0.0007024300000000, -0.0002541900000000 ] - [ 0.0022760400000000, -0.0007406600000000, 0.0022560300000000 ] - [ -0.0010858500000000, -0.0007174500000000, -0.0003894100000000 ] - [ 0.0001036300000000, 0.0013538100000000, -0.0000507600000000 ] - [ -0.0009970200000000, -0.0013239600000000, 0.0002374200000000 ] - [ 0.0003637700000000, -0.0006353500000000, 0.0002273300000000 ] - [ -0.0000707500000000, -0.0006504000000000, 0.0001024200000000 ] - [ 0.0030806600000000, 0.0001144700000000, 0.0001649700000000 ] - [ -0.0022058400000000, -0.0007656800000000, 0.0002417000000000 ] - [ 0.0003576000000000, 0.0006770500000000, 0.0002453800000000 ] - [ -0.0000705500000000, 0.0006267200000000, 0.0000948400000000 ] - [ 0.0010126900000000, 0.0000671600000000, -0.0002457600000000 ] - [ 0.0002309900000000, -0.0000403600000000, 0.0007354600000000 ] - [ -0.0009924000000000, 0.0007534700000000, 0.0019281000000000 ] - [ 0.0008009700000000, -0.0008602600000000, -0.0014280800000000 ] - [ 0.0009109200000000, -0.0007406000000000, -0.0004024400000000 ] - [ 0.0004148700000000, 0.0000211100000000, 0.0005496500000000 ] - [ 0.0009978100000000, -0.0003846500000000, 0.0002769400000000 ] - [ 0.0008417000000000, -0.0002776800000000, -0.0001047300000000 ] - [ -0.0006949900000000, -0.0026763900000000, -0.0028349800000000 ] - [ -0.0002192800000000, 0.0012155300000000, 0.0028444200000000 ] - [ 0.0009195300000000, 0.0003276400000000, 0.0003615400000000 ] - [ 0.0008700500000000, 0.0003272600000000, -0.0001461300000000 ] - [ -0.0008227100000000, -0.0004125800000000, -0.0008413700000000 ] - [ -0.0000366500000000, 0.0002044000000000, 0.0017642900000000 ] - [ -0.0006614600000000, -0.0001024300000000, 0.0009212000000000 ] - [ 0.0005197700000000, 0.0002402300000000, -0.0002385600000000 ] - [ -0.0007938000000000, 0.0003074700000000, -0.0015854000000000 ] - [ -0.0001411800000000, -0.0001837800000000, 0.0012875000000000 ] - [ -0.0007346400000000, -0.0000081100000000, 0.0001636600000000 ] - [ 0.0005469500000000, -0.0000195200000000, -0.0012168700000000 ] - [ -0.0007590900000000, -0.0007593200000000, -0.0000385100000000 ] - [ 0.0003132600000000, 0.0005183300000000, -0.0002199800000000 ] - [ -0.0000171800000000, -0.0006580100000000, -0.0001898400000000 ] - [ -0.0000944200000000, -0.0006065800000000, -0.0000391800000000 ] - [ -0.0033994900000000, -0.0022127300000000, 0.0004999600000000 ] - [ -0.0011751400000000, 0.0031887200000000, 0.0011460700000000 ] - [ -0.0000539500000000, 0.0006345500000000, -0.0001748900000000 ] - [ -0.0000765200000000, 0.0006112100000000, -0.0000555100000000 ]- atom: 1 displacement: [ -0.0099999999923824, 0.0000000000000000, 0.0000003903221875 ] forces: - [ 0.0281342200000000, 0.0064879600000000, 0.0023000500000000 ] - [ -0.0016390400000000, -0.0000024100000000, 0.0001635300000000 ] - [ 0.0000991300000000, -0.0000409900000000, 0.0003889000000000 ] - [ -0.0002756400000000, -0.0000449500000000, 0.0000635100000000 ] - [ 0.0015106000000000, 0.0001852600000000, 0.0000521000000000 ] - [ -0.0009991500000000, 0.0000632800000000, 0.0001987600000000 ] - [ 0.0000861700000000, 0.0000528000000000, 0.0003499100000000 ] - [ -0.0002629300000000, 0.0000433800000000, 0.0000657400000000 ] - [ 0.0014904600000000, -0.0012635000000000, -0.0008452700000000 ] - [ -0.0013782200000000, 0.0001475800000000, 0.0002646700000000 ] - [ -0.0001612000000000, -0.0001661800000000, 0.0004804900000000 ] - [ -0.0005784900000000, 0.0000320100000000, 0.0000372100000000 ] - [ 0.0008181400000000, 0.0018887000000000, -0.0026498300000000 ] - [ -0.0005724600000000, -0.0002264600000000, 0.0002670500000000 ] - [ 0.0005556600000000, 0.0000689500000000, 0.0002266200000000 ] - [ 0.0000141300000000, -0.0000259100000000, -0.0005261800000000 ] - [ 0.0004286500000000, -0.0001170200000000, -0.0004440300000000 ] - [ -0.0002579200000000, -0.0000169500000000, 0.0000568100000000 ] - [ 0.0000947600000000, 0.0000795400000000, 0.0002538800000000 ] - [ -0.0000572400000000, -0.0001693400000000, -0.0006547100000000 ] - [ 0.0004125600000000, 0.0001191700000000, -0.0008932600000000 ] - [ -0.0002842300000000, 0.0000067400000000, 0.0002517500000000 ] - [ -0.0008464300000000, -0.0003026100000000, 0.0012671200000000 ] - [ -0.0011626400000000, 0.0003724700000000, -0.0023643500000000 ] - [ 0.0010485700000000, -0.0000462000000000, 0.0008692200000000 ] - [ -0.0006315500000000, 0.0000469000000000, -0.0004902300000000 ] - [ 0.0041819500000000, -0.0010400800000000, -0.0004501200000000 ] - [ -0.0010301300000000, 0.0000890200000000, 0.0004749600000000 ] - [ -0.0051264200000000, 0.0050995900000000, 0.0013470900000000 ] - [ -0.0054675300000000, -0.0048770600000000, -0.0012189700000000 ] - [ -0.0000602100000000, 0.0000274700000000, -0.0002907000000000 ] - [ -0.0004697100000000, -0.0000192700000000, 0.0001587500000000 ] - [ 0.0037113500000000, 0.0086420100000000, -0.0005728700000000 ] - [ -0.0020914700000000, -0.0018172300000000, -0.0009800900000000 ] - [ 0.0004216600000000, 0.0000272600000000, -0.0006391800000000 ] - [ 0.0003698100000000, -0.0000337700000000, -0.0009205100000000 ] - [ 0.0024698200000000, -0.0020725500000000, 0.0059414500000000 ] - [ -0.0003252800000000, 0.0000889400000000, -0.0011046100000000 ] - [ 0.0018788400000000, 0.0000985500000000, 0.0001831700000000 ] - [ 0.0003781200000000, -0.0000241200000000, 0.0002287900000000 ] - [ 0.0009291200000000, 0.0018205600000000, 0.0016759800000000 ] - [ 0.0001358500000000, 0.0009367400000000, 0.0003724300000000 ] - [ 0.0044337800000000, 0.0042616100000000, 0.0017532500000000 ] - [ -0.0002125600000000, 0.0006074500000000, 0.0007840100000000 ] - [ 0.0009298200000000, -0.0015894200000000, 0.0011031800000000 ] - [ 0.0002997100000000, -0.0009647500000000, 0.0004018000000000 ] - [ 0.0016932700000000, -0.0017311100000000, 0.0004106800000000 ] - [ -0.0000149700000000, -0.0008407600000000, 0.0008379100000000 ] - [ -0.0011045300000000, 0.0018943200000000, -0.0009216000000000 ] - [ -0.0014061200000000, 0.0012344200000000, -0.0001290500000000 ] - [ -0.0005700900000000, 0.0010801300000000, -0.0004842400000000 ] - [ -0.0007601700000000, 0.0013059000000000, -0.0007061500000000 ] - [ -0.0081967800000000, -0.0072758600000000, -0.0033178300000000 ] - [ -0.0074428400000000, -0.0022704900000000, 0.0036672200000000 ] - [ -0.0005848500000000, -0.0010371200000000, -0.0004191300000000 ] - [ -0.0007526000000000, -0.0013370700000000, -0.0007453300000000 ] - [ -0.0026355900000000, -0.0024516200000000, -0.0018036000000000 ] - [ -0.0014585200000000, 0.0013259400000000, 0.0016222700000000 ] - [ -0.0010878800000000, -0.0000727300000000, 0.0001655100000000 ] - [ -0.0008778500000000, -0.0000155000000000, -0.0008745400000000 ] - [ -0.0003864900000000, 0.0000430600000000, -0.0003545400000000 ] - [ -0.0005422600000000, -0.0000561200000000, 0.0021631100000000 ] - [ -0.0023967700000000, -0.0000796600000000, 0.0016112900000000 ] - [ 0.0010576800000000, -0.0009691800000000, -0.0011914000000000 ] - [ -0.0000340300000000, -0.0008296600000000, -0.0001956100000000 ] - [ 0.0003983300000000, -0.0004441800000000, 0.0004007700000000 ] - [ -0.0039937400000000, -0.0019602800000000, -0.0007774800000000 ] - [ 0.0011377500000000, -0.0002525100000000, -0.0002021200000000 ] - [ -0.0001198200000000, 0.0008653000000000, -0.0002476900000000 ] - [ 0.0003491100000000, 0.0003914700000000, 0.0004461400000000 ] - [ -0.0011505900000000, 0.0012553100000000, 0.0005324900000000 ] - [ 0.0010024000000000, 0.0002310200000000, -0.0001412800000000 ] - [ -0.0003877000000000, -0.0016159700000000, -0.0009300200000000 ] - [ 0.0013595100000000, 0.0007203500000000, 0.0008303200000000 ] - [ -0.0002080000000000, 0.0000560700000000, 0.0004264000000000 ] - [ 0.0002542000000000, 0.0000109300000000, 0.0003917400000000 ] - [ -0.0059515400000000, -0.0052158400000000, -0.0000804800000000 ] - [ 0.0022117200000000, -0.0006443400000000, 0.0003474100000000 ] - [ 0.0000241000000000, -0.0000223600000000, -0.0006682400000000 ] - [ 0.0003878400000000, 0.0000007400000000, -0.0004510800000000 ] - [ -0.0036194100000000, -0.0007089500000000, -0.0012007000000000 ] - [ -0.0000908100000000, -0.0000508700000000, 0.0002360200000000 ] - [ -0.0018674600000000, -0.0010636200000000, 0.0001014100000000 ] - [ -0.0004949300000000, -0.0001728600000000, -0.0001346800000000 ] - [ -0.0020754400000000, 0.0010207200000000, -0.0012838100000000 ] - [ -0.0002094200000000, -0.0000014200000000, 0.0003128300000000 ] - [ -0.0014191600000000, 0.0003996500000000, -0.0000718900000000 ] - [ -0.0005295100000000, 0.0002536200000000, -0.0001604300000000 ] - [ -0.0055872700000000, -0.0002251100000000, 0.0004769500000000 ] - [ 0.0011320600000000, 0.0002556000000000, -0.0006724400000000 ] - [ -0.0008353600000000, 0.0000135200000000, -0.0005425000000000 ] - [ -0.0004962300000000, -0.0000073600000000, 0.0000040900000000 ] - [ -0.0007710700000000, 0.0008609500000000, -0.0004204300000000 ] - [ 0.0004321900000000, 0.0005701600000000, -0.0000152300000000 ] - [ -0.0010222100000000, 0.0010459600000000, -0.0002106500000000 ] - [ 0.0005293100000000, 0.0005252000000000, -0.0000807400000000 ] - [ -0.0010200000000000, -0.0009737200000000, -0.0003874000000000 ] - [ 0.0005022000000000, -0.0005725900000000, -0.0000532300000000 ] - [ -0.0025856700000000, -0.0005402500000000, -0.0025594000000000 ] - [ 0.0007991900000000, -0.0005560800000000, 0.0000788600000000 ] - [ 0.0001815000000000, -0.0026357900000000, 0.0003590000000000 ] - [ 0.0012896100000000, 0.0000481000000000, 0.0000704300000000 ] - [ -0.0000769200000000, -0.0006385900000000, 0.0000800400000000 ] - [ 0.0003578100000000, -0.0006229000000000, 0.0002039100000000 ] - [ -0.0033564300000000, 0.0012598900000000, 0.0000631400000000 ] - [ 0.0024864700000000, 0.0020325800000000, 0.0000674100000000 ] - [ -0.0000715300000000, 0.0005975800000000, 0.0000624000000000 ] - [ 0.0003571000000000, 0.0006463200000000, 0.0002115900000000 ] - [ 0.0003562000000000, -0.0000669000000000, 0.0007110900000000 ] - [ 0.0011449900000000, 0.0000412700000000, -0.0002739900000000 ] - [ 0.0023689500000000, -0.0007567900000000, -0.0014719700000000 ] - [ 0.0005811100000000, 0.0008531100000000, 0.0018837600000000 ] - [ 0.0009477900000000, 0.0000968300000000, 0.0006230800000000 ] - [ 0.0014503800000000, -0.0006707600000000, -0.0003308400000000 ] - [ 0.0008623300000000, -0.0002629400000000, -0.0000588600000000 ] - [ 0.0010206900000000, -0.0003739600000000, 0.0003243200000000 ] - [ 0.0025654400000000, 0.0033401200000000, 0.0030724300000000 ] - [ 0.0020782000000000, -0.0005544600000000, -0.0026140600000000 ] - [ 0.0009405200000000, 0.0003197900000000, -0.0001432100000000 ] - [ 0.0009918800000000, 0.0003236500000000, 0.0003665700000000 ] - [ 0.0003660600000000, 0.0004156500000000, 0.0018922500000000 ] - [ -0.0004083300000000, -0.0002035200000000, -0.0007106200000000 ] - [ 0.0002042800000000, 0.0001033100000000, 0.0001265300000000 ] - [ -0.0009706400000000, -0.0002392400000000, 0.0012906200000000 ] - [ 0.0006189900000000, -0.0003091700000000, 0.0006960200000000 ] - [ -0.0000248100000000, 0.0001829200000000, -0.0021863300000000 ] - [ 0.0005607700000000, 0.0000077700000000, -0.0010610700000000 ] - [ -0.0007168600000000, 0.0000245500000000, 0.0003297400000000 ] - [ 0.0006231200000000, -0.0004723900000000, -0.0002388900000000 ] - [ -0.0004397100000000, -0.0017485600000000, -0.0000588400000000 ] - [ -0.0001198200000000, -0.0005747800000000, -0.0000886500000000 ] - [ -0.0000406500000000, -0.0006294900000000, -0.0002403600000000 ] - [ 0.0032771900000000, 0.0034499200000000, -0.0007751800000000 ] - [ 0.0012108300000000, -0.0020055300000000, -0.0014214000000000 ] - [ -0.0000837200000000, 0.0005990100000000, -0.0001019900000000 ] - [ -0.0000583900000000, 0.0006250700000000, -0.0002238600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0070978400000000, -0.0361131400000000, 0.0050438800000000 ] - [ -0.0001358200000000, -0.0002238200000000, 0.0001729300000000 ] - [ -0.0000972200000000, -0.0001976800000000, 0.0000956800000000 ] - [ -0.0000933300000000, -0.0001053900000000, 0.0001892100000000 ] - [ 0.0000535500000000, 0.0044167900000000, 0.0002781500000000 ] - [ -0.0000759300000000, 0.0002023300000000, 0.0001713300000000 ] - [ -0.0000857700000000, 0.0001867000000000, 0.0001064400000000 ] - [ -0.0000950900000000, 0.0001062000000000, 0.0001831300000000 ] - [ 0.0007609100000000, 0.0022996500000000, 0.0034491700000000 ] - [ -0.0005168100000000, 0.0000501100000000, 0.0002209100000000 ] - [ -0.0001738600000000, 0.0001076100000000, -0.0001504900000000 ] - [ -0.0004247200000000, 0.0000089300000000, 0.0001036000000000 ] - [ -0.0015335700000000, 0.0008217600000000, -0.0024720300000000 ] - [ 0.0006003800000000, -0.0000529700000000, -0.0002080300000000 ] - [ 0.0002880700000000, -0.0000169200000000, -0.0000836300000000 ] - [ 0.0004418600000000, -0.0000048000000000, 0.0000504700000000 ] - [ 0.0000217100000000, 0.0001152800000000, -0.0001831100000000 ] - [ 0.0001230900000000, 0.0001918700000000, -0.0001278400000000 ] - [ 0.0002166400000000, 0.0002566400000000, -0.0001176400000000 ] - [ -0.0000299200000000, 0.0006725400000000, -0.0002935200000000 ] - [ 0.0000203300000000, -0.0001505800000000, -0.0000942300000000 ] - [ 0.0001328800000000, -0.0002042300000000, -0.0000687300000000 ] - [ 0.0004412400000000, -0.0003700200000000, -0.0001869800000000 ] - [ -0.0002387900000000, -0.0008953900000000, -0.0007361900000000 ] - [ 0.0007866100000000, 0.0000489400000000, 0.0007119000000000 ] - [ 0.0003740800000000, 0.0000162900000000, 0.0001827900000000 ] - [ 0.0008974400000000, 0.0048425300000000, -0.0093721600000000 ] - [ 0.0002325400000000, 0.0000665800000000, -0.0000161200000000 ] - [ -0.0028169300000000, 0.0003956200000000, -0.0000422400000000 ] - [ 0.0067615900000000, 0.0008415300000000, 0.0012002700000000 ] - [ -0.0002774600000000, -0.0000099800000000, -0.0002515300000000 ] - [ -0.0000515000000000, 0.0000051900000000, -0.0002570200000000 ] - [ -0.0087608200000000, 0.0071756300000000, 0.0013437600000000 ] - [ 0.0003944700000000, 0.0002045300000000, -0.0010338200000000 ] - [ 0.0003914100000000, -0.0000056700000000, -0.0011851300000000 ] - [ 0.0003555800000000, 0.0000137600000000, -0.0008662600000000 ] - [ 0.0028889400000000, 0.0024902800000000, -0.0078801200000000 ] - [ 0.0007507400000000, -0.0000382600000000, 0.0000178200000000 ] - [ 0.0004843300000000, 0.0000305500000000, 0.0005119700000000 ] - [ 0.0009482400000000, -0.0000192900000000, 0.0002356000000000 ] - [ 0.0006830100000000, -0.0009197500000000, -0.0007573900000000 ] - [ 0.0006243500000000, 0.0009760900000000, 0.0005693800000000 ] - [ -0.0026375100000000, -0.0035843700000000, 0.0014422000000000 ] - [ 0.0005940500000000, 0.0008931900000000, 0.0005713400000000 ] - [ 0.0007383800000000, 0.0001997200000000, -0.0005759400000000 ] - [ 0.0006154200000000, -0.0009771900000000, 0.0005375700000000 ] - [ -0.0011030000000000, 0.0010484600000000, 0.0011655700000000 ] - [ 0.0006136200000000, -0.0009412000000000, 0.0006128500000000 ] - [ -0.0009046000000000, 0.0031049600000000, -0.0012470900000000 ] - [ -0.0019122900000000, 0.0035446200000000, -0.0003930800000000 ] - [ -0.0007177900000000, 0.0013868000000000, -0.0007147100000000 ] - [ -0.0006973400000000, 0.0015498000000000, -0.0008126800000000 ] - [ 0.0009023100000000, -0.0046463300000000, -0.0015603400000000 ] - [ -0.0039313100000000, -0.0049586800000000, 0.0011320000000000 ] - [ -0.0007126700000000, -0.0014111300000000, -0.0007516900000000 ] - [ -0.0007026700000000, -0.0015427600000000, -0.0008013100000000 ] - [ -0.0006091400000000, 0.0007470200000000, 0.0001026800000000 ] - [ -0.0035450700000000, 0.0002942600000000, 0.0015052700000000 ] - [ -0.0009570600000000, 0.0000417100000000, -0.0003214300000000 ] - [ -0.0011603900000000, -0.0000482100000000, -0.0017899700000000 ] - [ -0.0006188600000000, -0.0000262400000000, 0.0006493800000000 ] - [ -0.0001814800000000, 0.0000872300000000, -0.0002719800000000 ] - [ -0.0008972300000000, -0.0000484800000000, 0.0010405200000000 ] - [ 0.0001118500000000, 0.0010391900000000, 0.0036751700000000 ] - [ -0.0001986700000000, -0.0002727300000000, 0.0009778100000000 ] - [ 0.0001746100000000, -0.0004673800000000, 0.0001735000000000 ] - [ 0.0016147900000000, 0.0033364400000000, 0.0008085200000000 ] - [ 0.0002340500000000, -0.0004214100000000, 0.0000931900000000 ] - [ -0.0000015100000000, 0.0002555100000000, 0.0007037900000000 ] - [ 0.0001709000000000, 0.0004912900000000, 0.0001861100000000 ] - [ 0.0006024500000000, -0.0011089900000000, -0.0012626600000000 ] - [ 0.0002242200000000, 0.0004633900000000, 0.0000783100000000 ] - [ 0.0030105400000000, -0.0013180900000000, -0.0021196300000000 ] - [ -0.0001093200000000, -0.0001870800000000, 0.0005515400000000 ] - [ 0.0000321800000000, -0.0000260100000000, 0.0010614200000000 ] - [ 0.0000684300000000, -0.0000119800000000, 0.0005069600000000 ] - [ 0.0049448200000000, 0.0113221200000000, -0.0029868300000000 ] - [ 0.0005020700000000, 0.0000202000000000, -0.0003489500000000 ] - [ 0.0002827200000000, -0.0000020600000000, -0.0005310300000000 ] - [ 0.0002578200000000, 0.0000064200000000, -0.0005109200000000 ] - [ -0.0010126000000000, 0.0025799700000000, 0.0018607300000000 ] - [ -0.0008543700000000, -0.0001438100000000, -0.0000150200000000 ] - [ -0.0001195000000000, 0.0004287400000000, -0.0002966300000000 ] - [ -0.0009380000000000, -0.0002081000000000, -0.0000845800000000 ] - [ -0.0007743200000000, -0.0012444000000000, 0.0017977900000000 ] - [ -0.0008728700000000, 0.0001802500000000, -0.0000017600000000 ] - [ -0.0004956500000000, -0.0001156800000000, -0.0001645700000000 ] - [ -0.0009415100000000, 0.0002402700000000, -0.0001123700000000 ] - [ 0.0007678600000000, 0.0008462000000000, 0.0007597000000000 ] - [ -0.0005828300000000, -0.0000578300000000, -0.0001714400000000 ] - [ -0.0008240800000000, -0.0000047100000000, -0.0001434700000000 ] - [ -0.0006690200000000, -0.0000035800000000, -0.0002596900000000 ] - [ -0.0000688600000000, -0.0003620500000000, -0.0000337000000000 ] - [ -0.0000982900000000, 0.0004671700000000, -0.0001558700000000 ] - [ -0.0002689800000000, -0.0015369300000000, 0.0009504000000000 ] - [ -0.0000538700000000, 0.0003916900000000, -0.0000990900000000 ] - [ 0.0000591700000000, 0.0006481900000000, -0.0000874300000000 ] - [ -0.0000739500000000, -0.0004890500000000, -0.0001741200000000 ] - [ 0.0001057600000000, 0.0019193000000000, 0.0026131400000000 ] - [ 0.0000214600000000, -0.0004149100000000, -0.0000489000000000 ] - [ 0.0013901900000000, -0.0023639500000000, 0.0005253500000000 ] - [ -0.0004335200000000, -0.0026368200000000, 0.0003674200000000 ] - [ 0.0001908700000000, -0.0007570700000000, 0.0002163800000000 ] - [ 0.0001286300000000, -0.0009100300000000, 0.0002389500000000 ] - [ 0.0002545000000000, 0.0044931900000000, 0.0006205600000000 ] - [ 0.0000066600000000, 0.0035273600000000, 0.0003384600000000 ] - [ 0.0001923900000000, 0.0007778300000000, 0.0002254000000000 ] - [ 0.0001257500000000, 0.0009038600000000, 0.0002356700000000 ] - [ 0.0008380100000000, 0.0000069900000000, 0.0004338100000000 ] - [ 0.0002621900000000, -0.0000065900000000, 0.0006782000000000 ] - [ 0.0012493600000000, -0.0000117100000000, -0.0001469500000000 ] - [ -0.0002400700000000, -0.0001834500000000, -0.0008553500000000 ] - [ 0.0005929300000000, -0.0011544900000000, 0.0003961200000000 ] - [ 0.0018905900000000, -0.0012819000000000, 0.0000722400000000 ] - [ 0.0008788200000000, -0.0004343400000000, 0.0002217800000000 ] - [ 0.0010929600000000, -0.0007161100000000, 0.0006022000000000 ] - [ -0.0004324900000000, 0.0010386400000000, 0.0002358400000000 ] - [ 0.0020274200000000, 0.0008654900000000, -0.0008807000000000 ] - [ 0.0008306600000000, 0.0004122600000000, 0.0002651500000000 ] - [ 0.0010687300000000, 0.0007039000000000, 0.0005633500000000 ] - [ -0.0003500000000000, -0.0001260900000000, 0.0002708200000000 ] - [ -0.0000446900000000, -0.0000588000000000, -0.0005331200000000 ] - [ -0.0003412500000000, -0.0000327400000000, 0.0005867900000000 ] - [ 0.0005156500000000, -0.0001474900000000, 0.0027359900000000 ] - [ 0.0001957200000000, 0.0000229800000000, -0.0002553100000000 ] - [ -0.0012874900000000, -0.0000671000000000, 0.0019284900000000 ] - [ 0.0000326600000000, 0.0000139200000000, -0.0005756300000000 ] - [ 0.0002109500000000, -0.0001146000000000, -0.0012413700000000 ] - [ 0.0001948100000000, -0.0012457400000000, -0.0002042800000000 ] - [ 0.0023252300000000, -0.0032010800000000, -0.0005587900000000 ] - [ -0.0000392400000000, -0.0006814700000000, -0.0001217500000000 ] - [ -0.0000465500000000, -0.0007774400000000, -0.0000368800000000 ] - [ 0.0001516400000000, 0.0015363500000000, -0.0002169800000000 ] - [ 0.0031013800000000, 0.0029861600000000, -0.0011414900000000 ] - [ -0.0000538600000000, 0.0006723500000000, -0.0001110900000000 ] - [ -0.0000510300000000, 0.0007789700000000, -0.0000420600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0063197000000000, 0.0360007100000000, -0.0045168700000000 ] - [ -0.0000328300000000, 0.0001129500000000, 0.0002013400000000 ] - [ -0.0000719400000000, 0.0000879100000000, 0.0002786700000000 ] - [ -0.0000764000000000, -0.0000046400000000, 0.0001854900000000 ] - [ -0.0002140300000000, -0.0042754800000000, 0.0000846900000000 ] - [ -0.0000928900000000, -0.0000907700000000, 0.0001931900000000 ] - [ -0.0000825000000000, -0.0000753200000000, 0.0002583400000000 ] - [ -0.0000736900000000, 0.0000049900000000, 0.0001818600000000 ] - [ -0.0014155600000000, -0.0023101000000000, -0.0031431500000000 ] - [ -0.0001283000000000, -0.0000497200000000, 0.0001155300000000 ] - [ -0.0004717500000000, -0.0001059500000000, 0.0004873200000000 ] - [ -0.0002202900000000, -0.0000086900000000, 0.0002327600000000 ] - [ 0.0021683400000000, -0.0008310900000000, 0.0021198800000000 ] - [ 0.0000446800000000, 0.0000525400000000, -0.0001284100000000 ] - [ 0.0003578300000000, 0.0000156600000000, -0.0002525700000000 ] - [ 0.0002036100000000, 0.0000043200000000, -0.0003864300000000 ] - [ 0.0001462200000000, -0.0002282600000000, -0.0001823200000000 ] - [ 0.0000461700000000, -0.0003051900000000, -0.0002369700000000 ] - [ -0.0000501800000000, -0.0003684300000000, -0.0002452900000000 ] - [ 0.0002011000000000, -0.0007841000000000, -0.0000708100000000 ] - [ 0.0001502300000000, 0.0002626100000000, -0.0002787800000000 ] - [ 0.0000363700000000, 0.0003163800000000, -0.0003052000000000 ] - [ -0.0002688100000000, 0.0004825000000000, -0.0001901800000000 ] - [ 0.0004029300000000, 0.0010093100000000, 0.0003576400000000 ] - [ -0.0002384900000000, -0.0000442400000000, -0.0005448800000000 ] - [ 0.0001784300000000, -0.0000158000000000, -0.0000111800000000 ] - [ -0.0003476100000000, -0.0048766500000000, 0.0096082500000000 ] - [ 0.0003170100000000, -0.0000653000000000, 0.0001846600000000 ] - [ 0.0022529400000000, -0.0004240200000000, -0.0001296700000000 ] - [ -0.0073048300000000, -0.0008425000000000, -0.0013798800000000 ] - [ -0.0002727700000000, 0.0000093900000000, 0.0000840700000000 ] - [ -0.0005027400000000, -0.0000059300000000, 0.0000891600000000 ] - [ 0.0096660900000000, -0.0072549500000000, -0.0030284500000000 ] - [ 0.0004188400000000, -0.0001967300000000, -0.0006467100000000 ] - [ 0.0004224600000000, 0.0000062000000000, -0.0004944000000000 ] - [ 0.0004593600000000, -0.0000132400000000, -0.0008146400000000 ] - [ -0.0008399600000000, -0.0024904800000000, 0.0082912200000000 ] - [ 0.0012674000000000, 0.0000373100000000, 0.0004174700000000 ] - [ 0.0015360100000000, -0.0000381800000000, -0.0000787700000000 ] - [ 0.0010691600000000, 0.0000188800000000, 0.0001984100000000 ] - [ 0.0006751200000000, 0.0033579100000000, 0.0019881700000000 ] - [ 0.0007363000000000, 0.0014468500000000, 0.0006407300000000 ] - [ 0.0040164300000000, 0.0060184400000000, -0.0002674600000000 ] - [ 0.0007667100000000, 0.0015290500000000, 0.0006374900000000 ] - [ 0.0006238900000000, -0.0026236000000000, 0.0017806900000000 ] - [ 0.0007452200000000, -0.0014458200000000, 0.0006719400000000 ] - [ 0.0024577900000000, -0.0034719800000000, 0.0000556300000000 ] - [ 0.0007468600000000, -0.0014811000000000, 0.0005965900000000 ] - [ -0.0004619800000000, -0.0006745200000000, 0.0000350200000000 ] - [ 0.0005558500000000, -0.0011285100000000, -0.0008168600000000 ] - [ -0.0006423300000000, 0.0010349100000000, -0.0004940800000000 ] - [ -0.0006634500000000, 0.0008715500000000, -0.0003954900000000 ] - [ -0.0022436800000000, 0.0022634000000000, 0.0003623100000000 ] - [ 0.0025548300000000, 0.0025396600000000, -0.0023358100000000 ] - [ -0.0006469500000000, -0.0010105000000000, -0.0004571300000000 ] - [ -0.0006582300000000, -0.0008790600000000, -0.0004076200000000 ] - [ -0.0014112500000000, -0.0007391900000000, -0.0005367900000000 ] - [ 0.0015447200000000, -0.0002888600000000, -0.0019450100000000 ] - [ -0.0010601300000000, -0.0000408300000000, -0.0001114700000000 ] - [ -0.0008572400000000, 0.0000497400000000, 0.0013631600000000 ] - [ -0.0001948200000000, 0.0000259200000000, 0.0010319100000000 ] - [ -0.0006354200000000, -0.0000937300000000, 0.0019568300000000 ] - [ 0.0000829500000000, 0.0000483300000000, 0.0006406000000000 ] - [ -0.0009232900000000, -0.0010703100000000, -0.0019778100000000 ] - [ 0.0003438500000000, -0.0009648200000000, -0.0006983200000000 ] - [ -0.0000367400000000, -0.0007696300000000, 0.0001148800000000 ] - [ -0.0014708800000000, -0.0045804700000000, -0.0004911100000000 ] - [ -0.0000943700000000, -0.0008156500000000, 0.0001942200000000 ] - [ 0.0001385700000000, 0.0009844600000000, -0.0004153800000000 ] - [ -0.0000334600000000, 0.0007465800000000, 0.0001017500000000 ] - [ -0.0004691800000000, 0.0023475000000000, 0.0015361600000000 ] - [ -0.0000843800000000, 0.0007737300000000, 0.0002090100000000 ] - [ -0.0028606100000000, 0.0013211800000000, 0.0030300100000000 ] - [ 0.0002871800000000, 0.0001842700000000, 0.0003430400000000 ] - [ 0.0001434000000000, 0.0000249900000000, -0.0001693700000000 ] - [ 0.0001059900000000, 0.0000117200000000, 0.0003888300000000 ] - [ -0.0040600200000000, -0.0107509100000000, 0.0017297000000000 ] - [ -0.0000500800000000, -0.0000162600000000, -0.0007048100000000 ] - [ 0.0001720400000000, 0.0000031400000000, -0.0005221700000000 ] - [ 0.0001971700000000, -0.0000058300000000, -0.0005460100000000 ] - [ -0.0008445900000000, -0.0032263000000000, -0.0020926400000000 ] - [ -0.0010029900000000, -0.0005129100000000, -0.0002074500000000 ] - [ -0.0017430900000000, -0.0010812000000000, 0.0000830200000000 ] - [ -0.0009199400000000, -0.0004460900000000, -0.0001367500000000 ] - [ -0.0010923800000000, 0.0019047900000000, -0.0020128600000000 ] - [ -0.0009843500000000, 0.0004772000000000, -0.0002208400000000 ] - [ -0.0013614600000000, 0.0007762000000000, -0.0000636200000000 ] - [ -0.0009166400000000, 0.0004148100000000, -0.0001088000000000 ] - [ -0.0020997800000000, -0.0012760200000000, -0.0011788000000000 ] - [ -0.0007839500000000, 0.0000558700000000, -0.0002965600000000 ] - [ -0.0005420300000000, 0.0000034400000000, -0.0003302200000000 ] - [ -0.0006994800000000, 0.0000030900000000, -0.0002120700000000 ] - [ -0.0002225700000000, 0.0016347400000000, -0.0002645600000000 ] - [ -0.0001906300000000, 0.0008044100000000, -0.0001440000000000 ] - [ -0.0000220000000000, 0.0028107500000000, -0.0012558000000000 ] - [ -0.0002338100000000, 0.0008828800000000, -0.0002020900000000 ] - [ -0.0003510200000000, -0.0019296600000000, -0.0002163800000000 ] - [ -0.0002147400000000, -0.0007830800000000, -0.0001263600000000 ] - [ -0.0003973100000000, -0.0032186400000000, -0.0029133700000000 ] - [ -0.0003086700000000, -0.0008607300000000, -0.0002525400000000 ] - [ -0.0010838700000000, 0.0010877800000000, -0.0002208000000000 ] - [ 0.0007268900000000, 0.0013690500000000, -0.0000664900000000 ] - [ 0.0001002600000000, -0.0005156600000000, 0.0000837400000000 ] - [ 0.0001624600000000, -0.0003615700000000, 0.0000596500000000 ] - [ 0.0000175700000000, -0.0032208500000000, -0.0003229700000000 ] - [ 0.0002835400000000, -0.0022523100000000, -0.0000361700000000 ] - [ 0.0000976000000000, 0.0004955200000000, 0.0000753200000000 ] - [ 0.0001649200000000, 0.0003680200000000, 0.0000633000000000 ] - [ 0.0005294300000000, -0.0000058400000000, 0.0000379900000000 ] - [ 0.0011105600000000, 0.0000082000000000, -0.0002104900000000 ] - [ 0.0001179000000000, 0.0000168100000000, 0.0006206200000000 ] - [ 0.0016061700000000, 0.0001901900000000, 0.0013251200000000 ] - [ 0.0012682800000000, 0.0004959100000000, -0.0001704200000000 ] - [ -0.0000361200000000, 0.0006286100000000, 0.0001477100000000 ] - [ 0.0009805400000000, -0.0002206300000000, -0.0000018400000000 ] - [ 0.0007654700000000, 0.0000599200000000, -0.0003829100000000 ] - [ 0.0022927400000000, -0.0003999700000000, -0.0000199500000000 ] - [ -0.0001705200000000, -0.0002140200000000, 0.0010982800000000 ] - [ 0.0010279500000000, 0.0002416600000000, -0.0000445000000000 ] - [ 0.0007892400000000, -0.0000497000000000, -0.0003429600000000 ] - [ -0.0001008600000000, 0.0001248100000000, 0.0007806600000000 ] - [ -0.0004098500000000, 0.0000573000000000, 0.0015899700000000 ] - [ -0.0001154700000000, 0.0000319200000000, 0.0004652300000000 ] - [ -0.0009733500000000, 0.0001447700000000, -0.0016909800000000 ] - [ -0.0003709200000000, -0.0000212200000000, -0.0006398300000000 ] - [ 0.0011160800000000, 0.0000686100000000, -0.0028270800000000 ] - [ -0.0002058700000000, -0.0000137600000000, -0.0003199700000000 ] - [ -0.0003851500000000, 0.0001229700000000, 0.0003506700000000 ] - [ -0.0003257700000000, 0.0000020700000000, -0.0000841900000000 ] - [ -0.0024692000000000, 0.0019679300000000, 0.0002735900000000 ] - [ -0.0001001200000000, -0.0005539900000000, -0.0001672500000000 ] - [ -0.0000907300000000, -0.0004599700000000, -0.0002531500000000 ] - [ -0.0002959900000000, -0.0003113200000000, -0.0000676800000000 ] - [ -0.0032158900000000, -0.0017843200000000, 0.0008548500000000 ] - [ -0.0000857200000000, 0.0005637200000000, -0.0001770900000000 ] - [ -0.0000864900000000, 0.0004581800000000, -0.0002476000000000 ]- atom: 1 displacement: [ -0.0015728055973509, 0.0000000000000000, 0.0098755396081906 ] forces: - [ 0.0022003600000000, 0.0055461500000000, -0.0258844900000000 ] - [ -0.0003052200000000, -0.0000600800000000, -0.0001041600000000 ] - [ -0.0002547500000000, -0.0001424800000000, 0.0014996500000000 ] - [ 0.0000088600000000, -0.0000512100000000, 0.0004443100000000 ] - [ 0.0002964400000000, -0.0000232000000000, -0.0012770600000000 ] - [ -0.0002433300000000, 0.0000668500000000, -0.0000902600000000 ] - [ -0.0002224500000000, 0.0001295900000000, 0.0009773900000000 ] - [ 0.0000042300000000, 0.0000527600000000, 0.0004272000000000 ] - [ 0.0008463800000000, 0.0029738900000000, 0.0008449400000000 ] - [ -0.0005979300000000, 0.0000332300000000, 0.0001060900000000 ] - [ -0.0007537200000000, -0.0004790200000000, 0.0011647100000000 ] - [ -0.0000918600000000, -0.0000180900000000, 0.0003040000000000 ] - [ 0.0027458500000000, -0.0019853600000000, 0.0005517000000000 ] - [ -0.0001246700000000, -0.0000535800000000, -0.0002314900000000 ] - [ -0.0003297900000000, 0.0002499700000000, 0.0003334100000000 ] - [ 0.0007149400000000, 0.0000388800000000, 0.0001155000000000 ] - [ 0.0003944700000000, -0.0000645000000000, 0.0000546500000000 ] - [ -0.0002055300000000, -0.0001026800000000, 0.0002074700000000 ] - [ -0.0003457100000000, -0.0000973300000000, -0.0003334400000000 ] - [ 0.0005275800000000, 0.0000366900000000, -0.0005941700000000 ] - [ 0.0008280800000000, 0.0001553600000000, 0.0004255000000000 ] - [ -0.0004066400000000, 0.0001632500000000, 0.0002638300000000 ] - [ -0.0014981300000000, 0.0000000100000000, -0.0001415400000000 ] - [ 0.0020490800000000, -0.0004355100000000, -0.0001305300000000 ] - [ -0.0008382000000000, 0.0012185900000000, 0.0020702100000000 ] - [ 0.0003705400000000, 0.0000192100000000, 0.0006484100000000 ] - [ 0.0025432700000000, -0.0081517900000000, 0.0009453500000000 ] - [ 0.0001536000000000, -0.0000259200000000, -0.0005192500000000 ] - [ -0.0012937600000000, 0.0003915700000000, -0.0017690000000000 ] - [ -0.0009675900000000, 0.0000199400000000, -0.0045735000000000 ] - [ -0.0002432800000000, -0.0000194200000000, 0.0010210000000000 ] - [ -0.0002329600000000, -0.0000565300000000, 0.0018888900000000 ] - [ 0.0017840400000000, 0.0025482700000000, -0.0054291800000000 ] - [ 0.0002749200000000, -0.0001388600000000, -0.0015123400000000 ] - [ -0.0003928100000000, -0.0000265700000000, 0.0007925300000000 ] - [ 0.0003588600000000, 0.0000057300000000, -0.0003735200000000 ] - [ -0.0039467100000000, -0.0083987900000000, 0.0007216500000000 ] - [ 0.0010791600000000, -0.0000159300000000, -0.0004261400000000 ] - [ 0.0015332600000000, 0.0016238300000000, 0.0027810300000000 ] - [ 0.0009670900000000, 0.0000159900000000, 0.0007541200000000 ] - [ -0.0011478600000000, 0.0041482600000000, 0.0079361600000000 ] - [ 0.0007023000000000, 0.0012355800000000, 0.0006821200000000 ] - [ -0.0019393000000000, 0.0019352400000000, 0.0106527300000000 ] - [ 0.0006722700000000, 0.0011615900000000, 0.0006045700000000 ] - [ 0.0004361800000000, -0.0018452000000000, 0.0019259700000000 ] - [ 0.0006684400000000, -0.0012391800000000, 0.0006725700000000 ] - [ 0.0001442100000000, -0.0008653200000000, 0.0014114900000000 ] - [ 0.0006911900000000, -0.0011495400000000, 0.0005998100000000 ] - [ -0.0005707200000000, 0.0015648300000000, -0.0015486300000000 ] - [ -0.0006501800000000, 0.0012698600000000, -0.0016126900000000 ] - [ -0.0008021500000000, 0.0009826100000000, 0.0000973300000000 ] - [ -0.0008384000000000, 0.0010477900000000, 0.0003514200000000 ] - [ 0.0002089600000000, -0.0024254100000000, -0.0035439900000000 ] - [ -0.0024234600000000, -0.0008313600000000, -0.0017973000000000 ] - [ -0.0008570900000000, -0.0008697000000000, 0.0003747400000000 ] - [ -0.0008202100000000, -0.0010097900000000, 0.0005694100000000 ] - [ -0.0004054900000000, 0.0008884000000000, -0.0000219800000000 ] - [ -0.0027400300000000, 0.0003457100000000, 0.0003393700000000 ] - [ -0.0013233900000000, -0.0001745500000000, 0.0000178000000000 ] - [ -0.0005080600000000, -0.0001730200000000, 0.0013369300000000 ] - [ -0.0000133700000000, -0.0000558800000000, 0.0008504600000000 ] - [ -0.0021822100000000, -0.0012381800000000, 0.0022601000000000 ] - [ -0.0010323400000000, 0.0000168300000000, 0.0011062600000000 ] - [ 0.0045137900000000, 0.0056585900000000, 0.0029573600000000 ] - [ 0.0025148400000000, -0.0000303700000000, -0.0025389200000000 ] - [ -0.0000716100000000, -0.0006386500000000, 0.0000218600000000 ] - [ 0.0004280900000000, 0.0003536400000000, 0.0076930100000000 ] - [ 0.0002955900000000, -0.0005707400000000, 0.0002050800000000 ] - [ 0.0004483300000000, 0.0009530500000000, -0.0006669700000000 ] - [ -0.0000682700000000, 0.0006836300000000, 0.0000356000000000 ] - [ -0.0002517700000000, -0.0011086800000000, -0.0000328700000000 ] - [ 0.0003004800000000, 0.0005086500000000, 0.0001934600000000 ] - [ 0.0014115700000000, -0.0017501900000000, 0.0015325300000000 ] - [ -0.0003094500000000, -0.0001703400000000, 0.0009800000000000 ] - [ 0.0000505400000000, 0.0002233400000000, -0.0010547200000000 ] - [ 0.0002663000000000, 0.0000294600000000, 0.0000363400000000 ] - [ -0.0015194700000000, -0.0031669900000000, 0.0050301900000000 ] - [ 0.0004284800000000, 0.0000034200000000, 0.0000677000000000 ] - [ -0.0000521400000000, -0.0002154200000000, -0.0026038300000000 ] - [ 0.0001186900000000, -0.0000043200000000, -0.0010649700000000 ] - [ 0.0004786100000000, 0.0008511600000000, -0.0022831700000000 ] - [ -0.0008335400000000, -0.0003063600000000, -0.0000085800000000 ] - [ -0.0002839500000000, -0.0021477400000000, -0.0039307800000000 ] - [ -0.0010307800000000, -0.0003281400000000, -0.0002596300000000 ] - [ -0.0007741800000000, 0.0022581800000000, -0.0005739400000000 ] - [ -0.0008474100000000, 0.0003380400000000, -0.0000120500000000 ] - [ -0.0007949500000000, -0.0000401600000000, -0.0008946600000000 ] - [ -0.0010236000000000, 0.0003078300000000, -0.0002478600000000 ] - [ -0.0027020200000000, 0.0005242600000000, 0.0043542600000000 ] - [ -0.0006127100000000, 0.0000190000000000, 0.0002273300000000 ] - [ 0.0001035900000000, -0.0001340500000000, -0.0017339000000000 ] - [ -0.0006479100000000, -0.0000012300000000, -0.0006496700000000 ] - [ -0.0003309200000000, 0.0006928300000000, -0.0008327200000000 ] - [ -0.0001049100000000, 0.0006512900000000, -0.0003065200000000 ] - [ 0.0002025700000000, 0.0012984100000000, -0.0000728200000000 ] - [ -0.0001859800000000, 0.0005856600000000, -0.0000073200000000 ] - [ -0.0003304000000000, -0.0029091900000000, -0.0025364500000000 ] - [ -0.0000812600000000, -0.0006733100000000, -0.0003176600000000 ] - [ 0.0007990000000000, 0.0023878200000000, -0.0037242500000000 ] - [ -0.0002337900000000, -0.0005639700000000, 0.0000085100000000 ] - [ 0.0001738700000000, -0.0008670100000000, 0.0009933600000000 ] - [ 0.0006018600000000, -0.0005166300000000, 0.0008740500000000 ] - [ 0.0001665600000000, -0.0005056700000000, -0.0003588800000000 ] - [ 0.0000155700000000, -0.0005103900000000, -0.0004545200000000 ] - [ 0.0000915600000000, 0.0013323500000000, 0.0034085100000000 ] - [ 0.0006776200000000, 0.0007794400000000, 0.0010150600000000 ] - [ 0.0001647300000000, 0.0004695900000000, -0.0005455200000000 ] - [ 0.0000305200000000, 0.0004729900000000, -0.0004786100000000 ] - [ 0.0002482600000000, 0.0001354300000000, -0.0003979200000000 ] - [ 0.0017828800000000, 0.0002175300000000, -0.0010195800000000 ] - [ 0.0015006700000000, -0.0002031800000000, 0.0006480100000000 ] - [ -0.0017117900000000, -0.0011220800000000, 0.0019485900000000 ] - [ 0.0006237900000000, -0.0007571700000000, 0.0006911400000000 ] - [ 0.0015205100000000, -0.0008458000000000, 0.0006828700000000 ] - [ 0.0011690200000000, -0.0001210000000000, -0.0003730900000000 ] - [ 0.0006864300000000, 0.0000443200000000, -0.0007851100000000 ] - [ -0.0007740800000000, 0.0002170200000000, 0.0009590700000000 ] - [ 0.0014653500000000, 0.0003049400000000, 0.0007530600000000 ] - [ 0.0014016400000000, 0.0002227200000000, -0.0005910400000000 ] - [ 0.0006891100000000, 0.0001389900000000, -0.0008618400000000 ] - [ -0.0005647100000000, -0.0001536500000000, 0.0002508900000000 ] - [ 0.0003488800000000, -0.0002627100000000, 0.0000108400000000 ] - [ 0.0001578300000000, 0.0000999500000000, 0.0005724100000000 ] - [ -0.0011995800000000, 0.0007968800000000, -0.0001474100000000 ] - [ -0.0004161800000000, 0.0000485300000000, -0.0002265400000000 ] - [ 0.0018076500000000, 0.0011283400000000, -0.0011287100000000 ] - [ 0.0001301500000000, -0.0000263600000000, -0.0007065200000000 ] - [ -0.0010044300000000, -0.0012042300000000, -0.0024320200000000 ] - [ -0.0000638300000000, -0.0005893200000000, 0.0003670600000000 ] - [ -0.0005700300000000, -0.0006777200000000, 0.0009859300000000 ] - [ -0.0000049700000000, -0.0006229500000000, -0.0005326300000000 ] - [ 0.0002046900000000, -0.0006041300000000, -0.0008996100000000 ] - [ -0.0000321000000000, 0.0006045700000000, 0.0008043200000000 ] - [ -0.0005294900000000, 0.0001168100000000, 0.0024059000000000 ] - [ 0.0000226400000000, 0.0006224100000000, -0.0006559100000000 ] - [ 0.0002647400000000, 0.0006063300000000, -0.0009827100000000 ]- atom: 1 displacement: [ 0.0015728055973509, 0.0000000000000000, -0.0098755396081906 ] forces: - [ -0.0026330000000000, -0.0059981100000000, 0.0257927600000000 ] - [ 0.0001347100000000, -0.0000480700000000, 0.0004804800000000 ] - [ 0.0000843900000000, 0.0000347400000000, -0.0011238900000000 ] - [ -0.0001793800000000, -0.0000571500000000, -0.0000677000000000 ] - [ -0.0004663400000000, 0.0001264700000000, 0.0016440500000000 ] - [ 0.0000735100000000, 0.0000423100000000, 0.0004570500000000 ] - [ 0.0000526100000000, -0.0000203200000000, -0.0006107100000000 ] - [ -0.0001737500000000, 0.0000570900000000, -0.0000603500000000 ] - [ -0.0015042600000000, -0.0029941200000000, -0.0005014900000000 ] - [ -0.0000491100000000, -0.0000328200000000, 0.0002316700000000 ] - [ 0.0001052600000000, 0.0004756300000000, -0.0008259300000000 ] - [ -0.0005537500000000, 0.0000181800000000, 0.0000311500000000 ] - [ -0.0021129600000000, 0.0019971000000000, -0.0008788100000000 ] - [ 0.0007722000000000, 0.0000532200000000, -0.0001013100000000 ] - [ 0.0009742900000000, -0.0002484400000000, -0.0006688800000000 ] - [ -0.0000680500000000, -0.0000388400000000, -0.0004523500000000 ] - [ -0.0002262900000000, -0.0000455000000000, -0.0004199200000000 ] - [ 0.0003768500000000, -0.0000067600000000, -0.0005733200000000 ] - [ 0.0005148000000000, -0.0000124200000000, -0.0000361000000000 ] - [ -0.0003576100000000, -0.0001469600000000, 0.0002248100000000 ] - [ -0.0006626600000000, -0.0000474200000000, -0.0008022200000000 ] - [ 0.0005801000000000, -0.0000555000000000, -0.0006392100000000 ] - [ 0.0016595500000000, 0.0001079700000000, -0.0002388100000000 ] - [ -0.0018716200000000, 0.0005437500000000, -0.0002504500000000 ] - [ 0.0013956300000000, -0.0012282500000000, -0.0019029300000000 ] - [ 0.0001883200000000, -0.0000190500000000, -0.0004736100000000 ] - [ -0.0019706300000000, 0.0080810600000000, -0.0008062700000000 ] - [ 0.0004017900000000, 0.0000268700000000, 0.0006821300000000 ] - [ 0.0007533500000000, -0.0004072900000000, 0.0015841800000000 ] - [ 0.0003879800000000, -0.0000361600000000, 0.0043932700000000 ] - [ -0.0003142500000000, 0.0000209700000000, -0.0011892700000000 ] - [ -0.0003154400000000, 0.0000566500000000, -0.0020581600000000 ] - [ -0.0009887500000000, -0.0025128600000000, 0.0037948700000000 ] - [ 0.0005440100000000, 0.0001428000000000, -0.0001622400000000 ] - [ 0.0012105600000000, 0.0000262100000000, -0.0024671400000000 ] - [ 0.0004551300000000, -0.0000065300000000, -0.0013041400000000 ] - [ 0.0060015900000000, 0.0084765200000000, -0.0002627800000000 ] - [ 0.0009365100000000, 0.0000153100000000, 0.0008678800000000 ] - [ 0.0004902300000000, -0.0016172000000000, -0.0023461800000000 ] - [ 0.0010463000000000, -0.0000161300000000, -0.0003204600000000 ] - [ 0.0025208500000000, -0.0017151000000000, -0.0067765700000000 ] - [ 0.0006564800000000, 0.0011865600000000, 0.0005288200000000 ] - [ 0.0033235900000000, 0.0005247500000000, -0.0093408000000000 ] - [ 0.0006864600000000, 0.0012582900000000, 0.0006000700000000 ] - [ 0.0009224600000000, -0.0005764100000000, -0.0007175400000000 ] - [ 0.0006905600000000, -0.0011828400000000, 0.0005378300000000 ] - [ 0.0012167800000000, -0.0015555200000000, -0.0002067000000000 ] - [ 0.0006679600000000, -0.0012705700000000, 0.0006051100000000 ] - [ -0.0007850500000000, 0.0008521700000000, 0.0003451800000000 ] - [ -0.0007120100000000, 0.0011485900000000, 0.0004147600000000 ] - [ -0.0005579200000000, 0.0014385100000000, -0.0013037200000000 ] - [ -0.0005196000000000, 0.0013717300000000, -0.0015582100000000 ] - [ -0.0015396800000000, 0.0000324100000000, 0.0023578500000000 ] - [ 0.0010512900000000, -0.0015977300000000, 0.0006239400000000 ] - [ -0.0005034600000000, -0.0015513100000000, -0.0015805000000000 ] - [ -0.0005367400000000, -0.0014095200000000, -0.0017760900000000 ] - [ -0.0016076200000000, -0.0008864600000000, -0.0004079100000000 ] - [ 0.0007377400000000, -0.0003463900000000, -0.0007685100000000 ] - [ -0.0006937000000000, 0.0001729900000000, -0.0004548900000000 ] - [ -0.0015018000000000, 0.0001724700000000, -0.0017698800000000 ] - [ -0.0008054400000000, 0.0000560600000000, 0.0008320600000000 ] - [ 0.0013714500000000, 0.0012449400000000, -0.0005819400000000 ] - [ 0.0002168300000000, -0.0000168900000000, 0.0005695300000000 ] - [ -0.0053189100000000, -0.0056546800000000, -0.0012632700000000 ] - [ -0.0023860100000000, -0.0012126300000000, 0.0028243500000000 ] - [ 0.0002085200000000, -0.0005969500000000, 0.0002574600000000 ] - [ -0.0001541300000000, -0.0014057700000000, -0.0068343200000000 ] - [ -0.0001569200000000, -0.0006646800000000, 0.0000757600000000 ] - [ -0.0003110600000000, 0.0002795000000000, 0.0009450900000000 ] - [ 0.0002051500000000, 0.0005522200000000, 0.0002428800000000 ] - [ 0.0003837600000000, 0.0023373800000000, 0.0003163500000000 ] - [ -0.0001620200000000, 0.0007257900000000, 0.0000884400000000 ] - [ -0.0012455200000000, 0.0017629700000000, -0.0006534300000000 ] - [ 0.0004850200000000, 0.0001698200000000, -0.0000890800000000 ] - [ 0.0001220400000000, -0.0002219300000000, 0.0019467800000000 ] - [ -0.0000914600000000, -0.0000290700000000, 0.0008580700000000 ] - [ 0.0019979900000000, 0.0032103700000000, -0.0060775700000000 ] - [ 0.0000233000000000, -0.0000006600000000, -0.0011266800000000 ] - [ 0.0005056600000000, 0.0002134700000000, 0.0015463900000000 ] - [ 0.0003432500000000, 0.0000041600000000, 0.0000079100000000 ] - [ -0.0023154300000000, -0.0014557300000000, 0.0018187500000000 ] - [ -0.0010261700000000, -0.0003466500000000, -0.0002152200000000 ] - [ -0.0015845500000000, 0.0014905900000000, 0.0037018100000000 ] - [ -0.0008288900000000, -0.0003212300000000, 0.0000413000000000 ] - [ -0.0010906800000000, -0.0016147200000000, 0.0003468400000000 ] - [ -0.0010120300000000, 0.0003152800000000, -0.0002115900000000 ] - [ -0.0010657000000000, 0.0006860400000000, 0.0006754200000000 ] - [ -0.0008362500000000, 0.0003421900000000, 0.0000298500000000 ] - [ 0.0013360300000000, -0.0005324900000000, -0.0048078700000000 ] - [ -0.0007533000000000, -0.0000204900000000, -0.0006865900000000 ] - [ -0.0014700900000000, 0.0001352200000000, 0.0012658900000000 ] - [ -0.0007169700000000, 0.0000010700000000, 0.0001812500000000 ] - [ 0.0000451900000000, 0.0005795500000000, 0.0005275300000000 ] - [ -0.0001804900000000, 0.0006171500000000, 0.0000017000000000 ] - [ -0.0004910200000000, -0.0000234500000000, -0.0002266700000000 ] - [ -0.0000957400000000, 0.0006862900000000, -0.0002959000000000 ] - [ 0.0000427800000000, 0.0016519000000000, 0.0022459600000000 ] - [ -0.0002040600000000, -0.0005951100000000, 0.0000124100000000 ] - [ -0.0010818400000000, -0.0036362800000000, 0.0033970700000000 ] - [ -0.0000479100000000, -0.0007089400000000, -0.0003114900000000 ] - [ 0.0001072000000000, -0.0003951600000000, -0.0006893200000000 ] - [ -0.0003105900000000, -0.0007500200000000, -0.0005702100000000 ] - [ 0.0001192100000000, -0.0007665400000000, 0.0006639000000000 ] - [ 0.0002689500000000, -0.0007581800000000, 0.0007589500000000 ] - [ 0.0002023300000000, -0.0000658800000000, -0.0031036100000000 ] - [ -0.0003828000000000, 0.0004957900000000, -0.0007119700000000 ] - [ 0.0001216800000000, 0.0008018600000000, 0.0008512700000000 ] - [ 0.0002531600000000, 0.0007948600000000, 0.0007829000000000 ] - [ 0.0011187700000000, -0.0001359900000000, 0.0008614600000000 ] - [ -0.0004186300000000, -0.0002180400000000, 0.0014856800000000 ] - [ -0.0001361200000000, 0.0002040100000000, -0.0001751200000000 ] - [ 0.0030677100000000, 0.0011199900000000, -0.0014718800000000 ] - [ 0.0012343600000000, 0.0001079400000000, -0.0004741400000000 ] - [ 0.0003374300000000, 0.0001998100000000, -0.0004702300000000 ] - [ 0.0006923300000000, -0.0005286000000000, 0.0005931000000000 ] - [ 0.0011725300000000, -0.0006934700000000, 0.0010050700000000 ] - [ 0.0026357100000000, 0.0004271500000000, -0.0007521200000000 ] - [ 0.0003931100000000, 0.0003414000000000, -0.0005492000000000 ] - [ 0.0004613700000000, 0.0004278700000000, 0.0008103400000000 ] - [ 0.0011690200000000, 0.0005105200000000, 0.0010833200000000 ] - [ 0.0001111000000000, 0.0001533300000000, 0.0007987000000000 ] - [ -0.0008055400000000, 0.0002643400000000, 0.0010390500000000 ] - [ -0.0006174700000000, -0.0000993600000000, 0.0004849500000000 ] - [ 0.0007379800000000, -0.0007915900000000, 0.0012084900000000 ] - [ 0.0002418700000000, -0.0000480000000000, -0.0006716900000000 ] - [ -0.0019901100000000, -0.0011373000000000, 0.0002244900000000 ] - [ -0.0003019700000000, 0.0000262000000000, -0.0001841300000000 ] - [ 0.0008291000000000, 0.0012099500000000, 0.0015490500000000 ] - [ -0.0000738900000000, -0.0006458800000000, -0.0006463100000000 ] - [ 0.0004393300000000, -0.0005612700000000, -0.0012709800000000 ] - [ -0.0001318100000000, -0.0006110900000000, 0.0002517800000000 ] - [ -0.0003423100000000, -0.0006292600000000, 0.0006180100000000 ] - [ -0.0001128000000000, 0.0006196900000000, -0.0010815700000000 ] - [ 0.0004085200000000, 0.0011123700000000, -0.0026932800000000 ] - [ -0.0001587500000000, 0.0006132500000000, 0.0003760000000000 ] - [ -0.0004028000000000, 0.0006281400000000, 0.0007021200000000 ]- atom: 9 displacement: [ 0.0099999999923824, 0.0000000000000000, -0.0000003903221875 ] forces: - [ -0.0018963300000000, 0.0010300700000000, 0.0010858300000000 ] - [ 0.0009675200000000, -0.0002470800000000, 0.0000774600000000 ] - [ -0.0002470400000000, 0.0000955400000000, -0.0002719900000000 ] - [ 0.0001683700000000, -0.0001554300000000, 0.0004605600000000 ] - [ -0.0018963300000000, -0.0010300700000000, 0.0010858300000000 ] - [ 0.0009675200000000, 0.0002470800000000, 0.0000774600000000 ] - [ -0.0002470400000000, -0.0000955400000000, -0.0002719900000000 ] - [ 0.0001683700000000, 0.0001554300000000, 0.0004605600000000 ] - [ -0.0725990900000000, 0.0000000000000000, -0.0000624200000000 ] - [ 0.0012494200000000, 0.0000000000000000, 0.0001683600000000 ] - [ -0.0007073800000000, 0.0000000000000000, -0.0000274800000000 ] - [ 0.0000520300000000, 0.0000000000000000, 0.0003094800000000 ] - [ -0.0011970500000000, 0.0000000000000000, 0.0003150100000000 ] - [ 0.0012319100000000, 0.0000000000000000, -0.0002908900000000 ] - [ -0.0000002200000000, 0.0000000000000000, -0.0003697800000000 ] - [ 0.0006266500000000, 0.0000000000000000, -0.0000854500000000 ] - [ -0.0004000700000000, 0.0017927000000000, 0.0021924100000000 ] - [ 0.0009783000000000, -0.0003324400000000, -0.0004996400000000 ] - [ -0.0001454400000000, -0.0000184600000000, -0.0008841600000000 ] - [ 0.0003918500000000, -0.0001727700000000, 0.0002580100000000 ] - [ -0.0004000700000000, -0.0017927000000000, 0.0021924100000000 ] - [ 0.0009783000000000, 0.0003324400000000, -0.0004996400000000 ] - [ -0.0001454400000000, 0.0000184600000000, -0.0008841600000000 ] - [ 0.0003918500000000, 0.0001727700000000, 0.0002580100000000 ] - [ 0.0024474800000000, 0.0000000000000000, -0.0092242000000000 ] - [ 0.0033088600000000, 0.0000000000000000, 0.0020495900000000 ] - [ -0.0012341100000000, 0.0000000000000000, 0.0019885600000000 ] - [ 0.0013509900000000, 0.0000000000000000, -0.0008008200000000 ] - [ 0.0008768900000000, 0.0000000000000000, -0.0013850600000000 ] - [ 0.0000268400000000, 0.0000000000000000, 0.0006506000000000 ] - [ -0.0009546400000000, 0.0000000000000000, 0.0003765400000000 ] - [ 0.0003221600000000, 0.0000000000000000, -0.0004948500000000 ] - [ 0.0043764100000000, 0.0000000000000000, 0.0096497700000000 ] - [ 0.0032534000000000, 0.0000000000000000, -0.0025575300000000 ] - [ 0.0011862300000000, 0.0000000000000000, -0.0013389300000000 ] - [ 0.0000041400000000, 0.0000000000000000, -0.0003024300000000 ] - [ 0.0017654800000000, 0.0000000000000000, 0.0009913000000000 ] - [ 0.0020245100000000, 0.0000000000000000, 0.0005533600000000 ] - [ 0.0007889900000000, 0.0000000000000000, -0.0000170800000000 ] - [ 0.0012883200000000, 0.0000000000000000, 0.0002884100000000 ] - [ 0.0015557700000000, 0.0039667900000000, -0.0007988700000000 ] - [ 0.0013745200000000, 0.0010349800000000, 0.0007848800000000 ] - [ 0.0003274900000000, 0.0011619700000000, 0.0006955800000000 ] - [ 0.0011546300000000, 0.0014425900000000, 0.0003892700000000 ] - [ 0.0015557700000000, -0.0039667900000000, -0.0007988700000000 ] - [ 0.0013745200000000, -0.0010349800000000, 0.0007848800000000 ] - [ 0.0003274900000000, -0.0011619700000000, 0.0006955800000000 ] - [ 0.0011546300000000, -0.0014425900000000, 0.0003892700000000 ] - [ 0.0017436600000000, 0.0061092700000000, -0.0070054900000000 ] - [ 0.0010132500000000, -0.0006114900000000, -0.0000393900000000 ] - [ -0.0013202500000000, 0.0016372700000000, -0.0004744500000000 ] - [ -0.0001802900000000, 0.0008731300000000, -0.0007499900000000 ] - [ 0.0017436600000000, -0.0061092700000000, -0.0070054900000000 ] - [ 0.0010132500000000, 0.0006114900000000, -0.0000393900000000 ] - [ -0.0013202500000000, -0.0016372700000000, -0.0004744500000000 ] - [ -0.0001802900000000, -0.0008731300000000, -0.0007499900000000 ] - [ 0.0133854800000000, 0.0000000000000000, 0.0020943900000000 ] - [ 0.0073025400000000, 0.0000000000000000, -0.0014070100000000 ] - [ -0.0013378400000000, 0.0000000000000000, -0.0006676700000000 ] - [ -0.0007147500000000, 0.0000000000000000, 0.0003183600000000 ] - [ -0.0008807000000000, 0.0000000000000000, 0.0019243100000000 ] - [ 0.0007476600000000, 0.0000000000000000, 0.0004203200000000 ] - [ 0.0003164100000000, 0.0000000000000000, 0.0003888200000000 ] - [ -0.0006910300000000, 0.0000000000000000, 0.0010673600000000 ] - [ -0.0006799500000000, -0.0010786900000000, 0.0005894200000000 ] - [ -0.0002268700000000, -0.0004998300000000, -0.0001867600000000 ] - [ 0.0004372600000000, -0.0006496100000000, -0.0000532000000000 ] - [ -0.0004505900000000, -0.0007224300000000, 0.0004414400000000 ] - [ -0.0006799500000000, 0.0010786900000000, 0.0005894200000000 ] - [ -0.0002268700000000, 0.0004998300000000, -0.0001867600000000 ] - [ 0.0004372600000000, 0.0006496100000000, -0.0000532000000000 ] - [ -0.0004505900000000, 0.0007224300000000, 0.0004414400000000 ] - [ 0.0280786700000000, 0.0000000000000000, 0.0038069300000000 ] - [ -0.0031533600000000, 0.0000000000000000, 0.0015500300000000 ] - [ -0.0000958300000000, 0.0000000000000000, 0.0006679300000000 ] - [ 0.0001976900000000, 0.0000000000000000, 0.0002752200000000 ] - [ 0.0003037000000000, 0.0000000000000000, -0.0011488600000000 ] - [ -0.0006106600000000, 0.0000000000000000, -0.0006135400000000 ] - [ 0.0001811300000000, 0.0000000000000000, -0.0002317100000000 ] - [ 0.0002316200000000, 0.0000000000000000, -0.0007055700000000 ] - [ -0.0003285900000000, -0.0015180500000000, -0.0002189500000000 ] - [ -0.0016934400000000, -0.0003309100000000, -0.0002474200000000 ] - [ -0.0006984500000000, -0.0003435300000000, -0.0001189000000000 ] - [ -0.0011979900000000, -0.0003490500000000, -0.0000319700000000 ] - [ -0.0003285900000000, 0.0015180500000000, -0.0002189500000000 ] - [ -0.0016934400000000, 0.0003309100000000, -0.0002474200000000 ] - [ -0.0006984500000000, 0.0003435300000000, -0.0001189000000000 ] - [ -0.0011979900000000, 0.0003490500000000, -0.0000319700000000 ] - [ 0.0028631500000000, 0.0000000000000000, -0.0031267100000000 ] - [ -0.0026778600000000, 0.0000000000000000, 0.0007324600000000 ] - [ -0.0009854300000000, 0.0000000000000000, 0.0009850900000000 ] - [ -0.0009303300000000, 0.0000000000000000, -0.0011910200000000 ] - [ 0.0028985000000000, 0.0016075600000000, 0.0003837300000000 ] - [ -0.0014715800000000, 0.0002154000000000, -0.0003710800000000 ] - [ 0.0007070200000000, 0.0009936500000000, -0.0003187100000000 ] - [ -0.0007551000000000, 0.0005923800000000, -0.0001182700000000 ] - [ 0.0028985000000000, -0.0016075600000000, 0.0003837300000000 ] - [ -0.0014715800000000, -0.0002154000000000, -0.0003710800000000 ] - [ 0.0007070200000000, -0.0009936500000000, -0.0003187100000000 ] - [ -0.0007551000000000, -0.0005923800000000, -0.0001182700000000 ] - [ 0.0011481200000000, -0.0030690600000000, 0.0020303700000000 ] - [ -0.0008529300000000, 0.0002998300000000, -0.0002410600000000 ] - [ 0.0007348100000000, -0.0007198100000000, 0.0002667400000000 ] - [ -0.0003303300000000, -0.0005427200000000, 0.0001198000000000 ] - [ 0.0011481200000000, 0.0030690600000000, 0.0020303700000000 ] - [ -0.0008529300000000, -0.0002998300000000, -0.0002410600000000 ] - [ 0.0007348100000000, 0.0007198100000000, 0.0002667400000000 ] - [ -0.0003303300000000, 0.0005427200000000, 0.0001198000000000 ] - [ 0.0014755400000000, 0.0000000000000000, -0.0003948600000000 ] - [ -0.0002698100000000, 0.0000000000000000, 0.0006398900000000 ] - [ 0.0001853800000000, 0.0000000000000000, 0.0012229300000000 ] - [ 0.0007289100000000, 0.0000000000000000, -0.0002701600000000 ] - [ 0.0080014300000000, 0.0030716900000000, 0.0006565100000000 ] - [ -0.0014658100000000, 0.0010071500000000, -0.0003301900000000 ] - [ 0.0012755100000000, -0.0004172200000000, 0.0001783600000000 ] - [ 0.0005973700000000, -0.0002066700000000, 0.0000346700000000 ] - [ 0.0080014300000000, -0.0030716900000000, 0.0006565100000000 ] - [ -0.0014658100000000, -0.0010071500000000, -0.0003301900000000 ] - [ 0.0012755100000000, 0.0004172200000000, 0.0001783600000000 ] - [ 0.0005973700000000, 0.0002066700000000, 0.0000346700000000 ] - [ -0.0039363300000000, 0.0000000000000000, -0.0031269300000000 ] - [ -0.0019636500000000, 0.0000000000000000, 0.0025876300000000 ] - [ -0.0003256400000000, 0.0000000000000000, 0.0011516600000000 ] - [ -0.0003719600000000, 0.0000000000000000, -0.0004055900000000 ] - [ -0.0005422600000000, 0.0000000000000000, -0.0010233400000000 ] - [ -0.0005431800000000, 0.0000000000000000, -0.0003461700000000 ] - [ -0.0003044000000000, 0.0000000000000000, -0.0000914700000000 ] - [ -0.0000150600000000, 0.0000000000000000, -0.0005800200000000 ] - [ -0.0019418500000000, -0.0006780200000000, 0.0020719600000000 ] - [ -0.0015697900000000, 0.0008842300000000, -0.0017759100000000 ] - [ 0.0003643700000000, -0.0008907700000000, -0.0006060500000000 ] - [ -0.0005550800000000, -0.0003697700000000, 0.0001820500000000 ] - [ -0.0019418500000000, 0.0006780200000000, 0.0020719600000000 ] - [ -0.0015697900000000, -0.0008842300000000, -0.0017759100000000 ] - [ 0.0003643700000000, 0.0008907700000000, -0.0006060500000000 ] - [ -0.0005550800000000, 0.0003697700000000, 0.0001820500000000 ]- atom: 9 displacement: [ -0.0099999999923824, 0.0000000000000000, 0.0000003903221875 ] forces: - [ 0.0017163000000000, -0.0011456400000000, -0.0007191000000000 ] - [ -0.0011399400000000, 0.0001407000000000, 0.0002963500000000 ] - [ 0.0000749600000000, -0.0002029600000000, 0.0006478500000000 ] - [ -0.0003402300000000, 0.0000490200000000, -0.0000881100000000 ] - [ 0.0017163000000000, 0.0011456400000000, -0.0007191000000000 ] - [ -0.0011399400000000, -0.0001407000000000, 0.0002963500000000 ] - [ 0.0000749600000000, 0.0002029600000000, 0.0006478500000000 ] - [ -0.0003402300000000, -0.0000490200000000, -0.0000881100000000 ] - [ 0.0714826200000000, 0.0000000000000000, -0.0000556400000000 ] - [ -0.0018994000000000, 0.0000000000000000, 0.0001678800000000 ] - [ 0.0000609500000000, 0.0000000000000000, 0.0003630100000000 ] - [ -0.0007001800000000, 0.0000000000000000, 0.0000250900000000 ] - [ 0.0018473300000000, 0.0000000000000000, -0.0006504800000000 ] - [ -0.0005885400000000, 0.0000000000000000, -0.0000447300000000 ] - [ 0.0006471200000000, 0.0000000000000000, 0.0000342600000000 ] - [ 0.0000185000000000, 0.0000000000000000, -0.0002503000000000 ] - [ 0.0005802000000000, -0.0019079600000000, -0.0025720200000000 ] - [ -0.0008097800000000, 0.0002222200000000, 0.0001255100000000 ] - [ 0.0003170000000000, -0.0000885500000000, 0.0005107500000000 ] - [ -0.0002227500000000, 0.0000651800000000, -0.0006319800000000 ] - [ 0.0005802000000000, 0.0019079600000000, -0.0025720200000000 ] - [ -0.0008097800000000, -0.0002222200000000, 0.0001255100000000 ] - [ 0.0003170000000000, 0.0000885500000000, 0.0005107500000000 ] - [ -0.0002227500000000, -0.0000651800000000, -0.0006319800000000 ] - [ -0.0019245500000000, 0.0000000000000000, 0.0093209800000000 ] - [ -0.0027815100000000, 0.0000000000000000, -0.0018884100000000 ] - [ 0.0017857700000000, 0.0000000000000000, -0.0018315700000000 ] - [ -0.0008045500000000, 0.0000000000000000, 0.0009694800000000 ] - [ -0.0014253300000000, 0.0000000000000000, 0.0012153800000000 ] - [ -0.0005821900000000, 0.0000000000000000, -0.0008196000000000 ] - [ 0.0004060600000000, 0.0000000000000000, -0.0005427100000000 ] - [ -0.0008739700000000, 0.0000000000000000, 0.0003244000000000 ] - [ -0.0035181700000000, 0.0000000000000000, -0.0112753600000000 ] - [ -0.0024440700000000, 0.0000000000000000, 0.0008889600000000 ] - [ -0.0003763700000000, 0.0000000000000000, -0.0003380100000000 ] - [ 0.0008136100000000, 0.0000000000000000, -0.0013758600000000 ] - [ 0.0002436300000000, 0.0000000000000000, -0.0005610500000000 ] - [ -0.0000099200000000, 0.0000000000000000, -0.0001158700000000 ] - [ 0.0012251100000000, 0.0000000000000000, 0.0004533200000000 ] - [ 0.0007247500000000, 0.0000000000000000, 0.0001472600000000 ] - [ -0.0002116300000000, -0.0015487800000000, 0.0019960500000000 ] - [ -0.0000170100000000, 0.0013878900000000, 0.0004219000000000 ] - [ 0.0010316400000000, 0.0012592200000000, 0.0005100700000000 ] - [ 0.0002025300000000, 0.0009779700000000, 0.0008176100000000 ] - [ -0.0002116300000000, 0.0015487800000000, 0.0019960500000000 ] - [ -0.0000170100000000, -0.0013878900000000, 0.0004219000000000 ] - [ 0.0010316400000000, -0.0012592200000000, 0.0005100700000000 ] - [ 0.0002025300000000, -0.0009779700000000, 0.0008176100000000 ] - [ -0.0031257100000000, -0.0037119700000000, 0.0057929800000000 ] - [ -0.0023709600000000, 0.0030323700000000, -0.0011679600000000 ] - [ -0.0000366000000000, 0.0007821500000000, -0.0007325400000000 ] - [ -0.0011805300000000, 0.0015479300000000, -0.0004562600000000 ] - [ -0.0031257100000000, 0.0037119700000000, 0.0057929800000000 ] - [ -0.0023709600000000, -0.0030323700000000, -0.0011679600000000 ] - [ -0.0000366000000000, -0.0007821500000000, -0.0007325400000000 ] - [ -0.0011805300000000, -0.0015479300000000, -0.0004562600000000 ] - [ -0.0156136100000000, 0.0000000000000000, -0.0025284800000000 ] - [ -0.0092726100000000, 0.0000000000000000, 0.0010383700000000 ] - [ -0.0006742000000000, 0.0000000000000000, 0.0002318200000000 ] - [ -0.0013017700000000, 0.0000000000000000, -0.0007555700000000 ] - [ 0.0000688000000000, 0.0000000000000000, -0.0002483900000000 ] - [ -0.0015686300000000, 0.0000000000000000, 0.0012557800000000 ] - [ -0.0011313000000000, 0.0000000000000000, 0.0012878300000000 ] - [ -0.0001252700000000, 0.0000000000000000, 0.0006087000000000 ] - [ 0.0008236600000000, -0.0001516500000000, -0.0003126400000000 ] - [ 0.0003608700000000, -0.0007377200000000, 0.0004655400000000 ] - [ -0.0003029300000000, -0.0005862200000000, 0.0003330100000000 ] - [ 0.0005874200000000, -0.0005132800000000, -0.0001646900000000 ] - [ 0.0008236600000000, 0.0001516500000000, -0.0003126400000000 ] - [ 0.0003608700000000, 0.0007377200000000, 0.0004655400000000 ] - [ -0.0003029300000000, 0.0005862200000000, 0.0003330100000000 ] - [ 0.0005874200000000, 0.0005132800000000, -0.0001646900000000 ] - [ -0.0262469800000000, 0.0000000000000000, -0.0025914500000000 ] - [ 0.0033406200000000, 0.0000000000000000, -0.0006622000000000 ] - [ 0.0002726600000000, 0.0000000000000000, 0.0002254200000000 ] - [ -0.0000238800000000, 0.0000000000000000, 0.0006205700000000 ] - [ 0.0001576700000000, 0.0000000000000000, 0.0001027100000000 ] - [ 0.0010671000000000, 0.0000000000000000, -0.0004414200000000 ] - [ 0.0002719400000000, 0.0000000000000000, -0.0008205400000000 ] - [ 0.0002238800000000, 0.0000000000000000, -0.0003470500000000 ] - [ -0.0015265800000000, 0.0008721400000000, 0.0000027600000000 ] - [ -0.0001662500000000, -0.0003201000000000, 0.0000247300000000 ] - [ -0.0011621700000000, -0.0003047800000000, -0.0001028900000000 ] - [ -0.0006612000000000, -0.0003005600000000, -0.0001897600000000 ] - [ -0.0015265800000000, -0.0008721400000000, 0.0000027600000000 ] - [ -0.0001662500000000, 0.0003201000000000, 0.0000247300000000 ] - [ -0.0011621700000000, 0.0003047800000000, -0.0001028900000000 ] - [ -0.0006612000000000, 0.0003005600000000, -0.0001897600000000 ] - [ -0.0042129300000000, 0.0000000000000000, 0.0026710700000000 ] - [ 0.0013179000000000, 0.0000000000000000, -0.0012012300000000 ] - [ -0.0003740100000000, 0.0000000000000000, -0.0014578500000000 ] - [ -0.0004337600000000, 0.0000000000000000, 0.0007315800000000 ] - [ -0.0031705700000000, -0.0003478000000000, -0.0006973500000000 ] - [ 0.0011929000000000, 0.0010563800000000, 0.0000649700000000 ] - [ -0.0009969900000000, 0.0002771700000000, 0.0000129200000000 ] - [ 0.0004715900000000, 0.0006774800000000, -0.0001881300000000 ] - [ -0.0031705700000000, 0.0003478000000000, -0.0006973500000000 ] - [ 0.0011929000000000, -0.0010563800000000, 0.0000649700000000 ] - [ -0.0009969900000000, -0.0002771700000000, 0.0000129200000000 ] - [ 0.0004715900000000, -0.0006774800000000, -0.0001881300000000 ] - [ -0.0008704400000000, 0.0018047900000000, -0.0017285900000000 ] - [ 0.0011381000000000, -0.0015713400000000, 0.0005478900000000 ] - [ -0.0004527200000000, -0.0005516800000000, 0.0000386800000000 ] - [ 0.0006172200000000, -0.0007258500000000, 0.0001859800000000 ] - [ -0.0008704400000000, -0.0018047900000000, -0.0017285900000000 ] - [ 0.0011381000000000, 0.0015713400000000, 0.0005478900000000 ] - [ -0.0004527200000000, 0.0005516800000000, 0.0000386800000000 ] - [ 0.0006172200000000, 0.0007258500000000, 0.0001859800000000 ] - [ -0.0001171200000000, 0.0000000000000000, 0.0008611900000000 ] - [ 0.0016387500000000, 0.0000000000000000, -0.0001730500000000 ] - [ 0.0011757600000000, 0.0000000000000000, -0.0007587400000000 ] - [ 0.0006356000000000, 0.0000000000000000, 0.0007326500000000 ] - [ -0.0066336600000000, -0.0040467900000000, -0.0003488900000000 ] - [ 0.0033318100000000, -0.0016634300000000, 0.0005443100000000 ] - [ 0.0005811800000000, -0.0002310800000000, 0.0000431400000000 ] - [ 0.0012629700000000, -0.0004430900000000, 0.0001874200000000 ] - [ -0.0066336600000000, 0.0040467900000000, -0.0003488900000000 ] - [ 0.0033318100000000, 0.0016634300000000, 0.0005443100000000 ] - [ 0.0005811800000000, 0.0002310800000000, 0.0000431400000000 ] - [ 0.0012629700000000, 0.0004430900000000, 0.0001874200000000 ] - [ 0.0035098600000000, 0.0000000000000000, 0.0041971800000000 ] - [ 0.0015047400000000, 0.0000000000000000, -0.0015293900000000 ] - [ -0.0001318300000000, 0.0000000000000000, -0.0000997100000000 ] - [ -0.0000826400000000, 0.0000000000000000, 0.0014604000000000 ] - [ 0.0003642200000000, 0.0000000000000000, 0.0001288600000000 ] - [ 0.0003707100000000, 0.0000000000000000, -0.0005470100000000 ] - [ 0.0001282100000000, 0.0000000000000000, -0.0008034800000000 ] - [ -0.0001611900000000, 0.0000000000000000, -0.0003134900000000 ] - [ 0.0018090900000000, -0.0005485400000000, -0.0023479500000000 ] - [ 0.0014310200000000, -0.0021228400000000, 0.0014932600000000 ] - [ -0.0005046800000000, -0.0003422300000000, 0.0003286400000000 ] - [ 0.0004211700000000, -0.0008662800000000, -0.0004611900000000 ] - [ 0.0018090900000000, 0.0005485400000000, -0.0023479500000000 ] - [ 0.0014310200000000, 0.0021228400000000, 0.0014932600000000 ] - [ -0.0005046800000000, 0.0003422300000000, 0.0003286400000000 ] - [ 0.0004211700000000, 0.0008662800000000, -0.0004611900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011889100000000, 0.0022529800000000, 0.0034295500000000 ] - [ -0.0002327800000000, -0.0000055600000000, 0.0001974100000000 ] - [ 0.0000814800000000, 0.0000513400000000, -0.0002697700000000 ] - [ -0.0001170600000000, -0.0000461600000000, 0.0001642200000000 ] - [ -0.0013473800000000, 0.0023564400000000, -0.0030226900000000 ] - [ 0.0000640100000000, 0.0001049600000000, 0.0001728500000000 ] - [ -0.0002511300000000, 0.0001618000000000, 0.0006392100000000 ] - [ -0.0000526300000000, 0.0000633400000000, 0.0002063500000000 ] - [ -0.0000885900000000, -0.0193309600000000, 0.0002730300000000 ] - [ -0.0003230900000000, -0.0000536300000000, 0.0001678800000000 ] - [ -0.0003227600000000, -0.0000836900000000, 0.0001671400000000 ] - [ -0.0003232800000000, -0.0000161000000000, 0.0001678000000000 ] - [ 0.0003161000000000, 0.0026619100000000, -0.0001676800000000 ] - [ 0.0003246900000000, 0.0000609400000000, -0.0001676500000000 ] - [ 0.0003236300000000, 0.0000895800000000, -0.0001679500000000 ] - [ 0.0003233700000000, 0.0000150500000000, -0.0001678800000000 ] - [ 0.0019636500000000, 0.0007742700000000, 0.0021268900000000 ] - [ -0.0001422800000000, -0.0001070600000000, -0.0001648800000000 ] - [ 0.0001535600000000, -0.0000711800000000, -0.0004241000000000 ] - [ 0.0000581900000000, -0.0000590500000000, -0.0002263800000000 ] - [ -0.0018063400000000, 0.0008769300000000, -0.0025112300000000 ] - [ 0.0003134500000000, -0.0000000700000000, -0.0002051900000000 ] - [ 0.0000159500000000, 0.0000368300000000, 0.0000536800000000 ] - [ 0.0001105800000000, 0.0000482100000000, -0.0001443200000000 ] - [ 0.0002693100000000, -0.0075578700000000, 0.0001106900000000 ] - [ 0.0002768500000000, -0.0000864800000000, 0.0000886100000000 ] - [ 0.0002837700000000, -0.0002896400000000, 0.0000741100000000 ] - [ 0.0002790600000000, -0.0001333100000000, 0.0000835200000000 ] - [ -0.0002859700000000, 0.0027605600000000, -0.0000812700000000 ] - [ -0.0002723900000000, 0.0002114100000000, -0.0000796500000000 ] - [ -0.0002843900000000, 0.0005506800000000, -0.0000858100000000 ] - [ -0.0002740600000000, 0.0001509500000000, -0.0000869800000000 ] - [ 0.0003869700000000, -0.0022629900000000, -0.0008564800000000 ] - [ 0.0004089000000000, -0.0021364000000000, -0.0008421800000000 ] - [ 0.0004070700000000, -0.0000231600000000, -0.0008394600000000 ] - [ 0.0004070400000000, -0.0004272900000000, -0.0008391200000000 ] - [ 0.0010255100000000, 0.0062074600000000, 0.0002324400000000 ] - [ 0.0010058100000000, 0.0003138900000000, 0.0002168100000000 ] - [ 0.0010074500000000, 0.0001518400000000, 0.0002164900000000 ] - [ 0.0010074600000000, 0.0000563700000000, 0.0002168400000000 ] - [ 0.0043472300000000, 0.0054868600000000, -0.0026581300000000 ] - [ 0.0004582700000000, 0.0011638100000000, 0.0005440800000000 ] - [ 0.0006684000000000, 0.0012690600000000, 0.0007800700000000 ] - [ 0.0006395200000000, 0.0011924900000000, 0.0006364500000000 ] - [ -0.0029651000000000, 0.0030850400000000, 0.0037831100000000 ] - [ 0.0008996000000000, -0.0012527300000000, 0.0006646100000000 ] - [ 0.0006882800000000, -0.0011467800000000, 0.0004278800000000 ] - [ 0.0007184200000000, -0.0012264800000000, 0.0005714300000000 ] - [ 0.0026628000000000, 0.0031292500000000, -0.0045177500000000 ] - [ -0.0011272500000000, 0.0013231900000000, -0.0006013700000000 ] - [ -0.0006344600000000, 0.0010861300000000, -0.0003337400000000 ] - [ -0.0007365800000000, 0.0012423400000000, -0.0005631700000000 ] - [ -0.0040492400000000, 0.0006783600000000, 0.0032869100000000 ] - [ -0.0002334000000000, -0.0011078200000000, -0.0006073900000000 ] - [ -0.0007261500000000, -0.0013372800000000, -0.0008745500000000 ] - [ -0.0006219500000000, -0.0011797600000000, -0.0006459600000000 ] - [ -0.0009801300000000, -0.0087392400000000, -0.0002170700000000 ] - [ -0.0010227100000000, -0.0005959600000000, -0.0002123300000000 ] - [ -0.0010077800000000, -0.0001865200000000, -0.0002182500000000 ] - [ -0.0010076000000000, -0.0000718400000000, -0.0002204000000000 ] - [ -0.0004110300000000, 0.0004453000000000, 0.0008389400000000 ] - [ -0.0004030500000000, 0.0025364800000000, 0.0008334300000000 ] - [ -0.0004089800000000, 0.0000622400000000, 0.0008396900000000 ] - [ -0.0004075500000000, 0.0003472800000000, 0.0008402500000000 ] - [ -0.0019932000000000, -0.0026304000000000, 0.0011332400000000 ] - [ 0.0001478600000000, -0.0008005100000000, 0.0001507600000000 ] - [ -0.0000335900000000, -0.0007681400000000, -0.0000355300000000 ] - [ 0.0000943900000000, -0.0006847500000000, 0.0000872200000000 ] - [ 0.0021299300000000, -0.0014013200000000, -0.0008393200000000 ] - [ -0.0000077100000000, 0.0004353600000000, 0.0001297400000000 ] - [ 0.0001715300000000, 0.0004668900000000, 0.0003148100000000 ] - [ 0.0000454500000000, 0.0005521800000000, 0.0001925100000000 ] - [ 0.0000246400000000, 0.0010360200000000, 0.0004326100000000 ] - [ 0.0000844100000000, 0.0018380100000000, 0.0004480000000000 ] - [ 0.0000859700000000, 0.0000332600000000, 0.0004456100000000 ] - [ 0.0000859600000000, 0.0001204900000000, 0.0004456400000000 ] - [ 0.0002182800000000, -0.0013124300000000, -0.0005367600000000 ] - [ 0.0002331700000000, -0.0004823600000000, -0.0005270300000000 ] - [ 0.0002246400000000, -0.0001442300000000, -0.0005262600000000 ] - [ 0.0002331900000000, -0.0000764500000000, -0.0005276700000000 ] - [ -0.0030612900000000, -0.0055130200000000, -0.0000149500000000 ] - [ -0.0008972500000000, -0.0004581400000000, -0.0001251300000000 ] - [ -0.0009339000000000, -0.0004324800000000, -0.0001832200000000 ] - [ -0.0009236900000000, -0.0003489200000000, -0.0001336700000000 ] - [ 0.0011706100000000, -0.0048413300000000, -0.0001836400000000 ] - [ -0.0009623300000000, 0.0001949200000000, -0.0000950200000000 ] - [ -0.0009250400000000, 0.0002181600000000, -0.0000360800000000 ] - [ -0.0009373100000000, 0.0003049300000000, -0.0000858600000000 ] - [ -0.0006817800000000, 0.0028943400000000, -0.0002213700000000 ] - [ -0.0006830800000000, 0.0003688200000000, -0.0002338100000000 ] - [ -0.0006833900000000, 0.0009493800000000, -0.0002311600000000 ] - [ -0.0006830300000000, 0.0000723800000000, -0.0002373500000000 ] - [ 0.0011890900000000, 0.0039257300000000, -0.0006012200000000 ] - [ -0.0001167500000000, 0.0007318900000000, -0.0001706700000000 ] - [ 0.0000129400000000, 0.0007814800000000, -0.0000188600000000 ] - [ -0.0001380100000000, 0.0006593300000000, -0.0001421500000000 ] - [ -0.0014234500000000, 0.0027653600000000, 0.0001870300000000 ] - [ -0.0001711900000000, -0.0005298400000000, -0.0001293300000000 ] - [ -0.0002988400000000, -0.0004865800000000, -0.0002815500000000 ] - [ -0.0001471700000000, -0.0006064800000000, -0.0001580000000000 ] - [ -0.0009430600000000, -0.0029617300000000, 0.0014147700000000 ] - [ 0.0001629900000000, -0.0007766100000000, 0.0001752900000000 ] - [ -0.0000560700000000, -0.0008280500000000, -0.0000789000000000 ] - [ 0.0001465100000000, -0.0006670900000000, 0.0001473800000000 ] - [ 0.0012461100000000, -0.0016837100000000, -0.0011137800000000 ] - [ 0.0001248800000000, 0.0004958200000000, 0.0001250700000000 ] - [ 0.0003399000000000, 0.0004485300000000, 0.0003838500000000 ] - [ 0.0001404700000000, 0.0006001000000000, 0.0001536100000000 ] - [ 0.0006848300000000, -0.0007337000000000, 0.0002325200000000 ] - [ 0.0006813600000000, -0.0004709900000000, 0.0002373600000000 ] - [ 0.0006839000000000, -0.0004159400000000, 0.0002289400000000 ] - [ 0.0006825500000000, -0.0000751900000000, 0.0002353300000000 ] - [ 0.0040066000000000, 0.0055268600000000, -0.0002824100000000 ] - [ 0.0007997700000000, -0.0000196300000000, 0.0000499500000000 ] - [ 0.0009259000000000, -0.0001859500000000, -0.0000073400000000 ] - [ 0.0009434600000000, -0.0003092400000000, 0.0000842300000000 ] - [ -0.0023586900000000, 0.0062733600000000, 0.0005443300000000 ] - [ 0.0010703700000000, 0.0006427800000000, 0.0001699800000000 ] - [ 0.0009358600000000, 0.0004672100000000, 0.0002261600000000 ] - [ 0.0009182300000000, 0.0003464100000000, 0.0001373100000000 ] - [ -0.0002296000000000, 0.0016742400000000, 0.0005223800000000 ] - [ -0.0002296200000000, 0.0010073300000000, 0.0005228300000000 ] - [ -0.0002259400000000, 0.0001207900000000, 0.0005287700000000 ] - [ -0.0002290600000000, 0.0000384500000000, 0.0005312200000000 ] - [ -0.0000831700000000, -0.0005800100000000, -0.0004446700000000 ] - [ -0.0000967300000000, -0.0015332100000000, -0.0004425500000000 ] - [ -0.0000836900000000, -0.0000456500000000, -0.0004455100000000 ] - [ -0.0000861100000000, -0.0000991800000000, -0.0004456600000000 ] - [ -0.0016034500000000, 0.0003943300000000, 0.0012261000000000 ] - [ 0.0000124600000000, -0.0001785900000000, -0.0002003900000000 ] - [ -0.0002314900000000, -0.0004398900000000, -0.0003349800000000 ] - [ -0.0000380900000000, -0.0005394800000000, -0.0002080300000000 ] - [ 0.0014672600000000, 0.0016354000000000, -0.0014998900000000 ] - [ -0.0001424300000000, 0.0010714500000000, -0.0000760400000000 ] - [ 0.0000939100000000, 0.0007987900000000, 0.0000526300000000 ] - [ -0.0000984200000000, 0.0006998800000000, -0.0000729800000000 ]- atom: 9 displacement: [ -0.0015728055973509, 0.0000000000000000, 0.0098755396081906 ] forces: - [ 0.0012086600000000, 0.0030389100000000, 0.0008752300000000 ] - [ -0.0003464600000000, 0.0000286500000000, 0.0001254100000000 ] - [ -0.0003689800000000, -0.0003919100000000, 0.0012059700000000 ] - [ 0.0000043800000000, -0.0001015300000000, 0.0003009400000000 ] - [ 0.0012086600000000, -0.0030389100000000, 0.0008752300000000 ] - [ -0.0003464600000000, -0.0000286500000000, 0.0001254100000000 ] - [ -0.0003689800000000, 0.0003919100000000, 0.0012059700000000 ] - [ 0.0000043800000000, 0.0001015300000000, 0.0003009400000000 ] - [ 0.0108793600000000, 0.0000000000000000, -0.0240435200000000 ] - [ -0.0005705500000000, 0.0000000000000000, -0.0002390900000000 ] - [ -0.0004561800000000, 0.0000000000000000, 0.0010779300000000 ] - [ -0.0002415600000000, 0.0000000000000000, 0.0004558800000000 ] - [ 0.0010398600000000, 0.0000000000000000, -0.0012725600000000 ] - [ 0.0000580700000000, 0.0000000000000000, -0.0005574100000000 ] - [ 0.0001740200000000, 0.0000000000000000, 0.0003610900000000 ] - [ 0.0003567900000000, 0.0000000000000000, 0.0000926200000000 ] - [ 0.0026029800000000, 0.0019152900000000, 0.0005471600000000 ] - [ -0.0004865900000000, 0.0000286100000000, -0.0002695300000000 ] - [ -0.0002684500000000, -0.0001433600000000, 0.0003629200000000 ] - [ 0.0003916900000000, -0.0002511700000000, 0.0000842200000000 ] - [ 0.0026029800000000, -0.0019152900000000, 0.0005471600000000 ] - [ -0.0004865900000000, -0.0000286100000000, -0.0002695300000000 ] - [ -0.0002684500000000, 0.0001433600000000, 0.0003629200000000 ] - [ 0.0003916900000000, 0.0002511700000000, 0.0000842200000000 ] - [ -0.0105401400000000, 0.0000000000000000, 0.0098141900000000 ] - [ 0.0008868200000000, 0.0000000000000000, 0.0000292700000000 ] - [ 0.0001513400000000, 0.0000000000000000, 0.0058887500000000 ] - [ 0.0001380900000000, 0.0000000000000000, 0.0007444700000000 ] - [ -0.0014936600000000, 0.0000000000000000, 0.0004140600000000 ] - [ -0.0004094200000000, 0.0000000000000000, -0.0006537700000000 ] - [ 0.0004330100000000, 0.0000000000000000, 0.0004967900000000 ] - [ -0.0006326300000000, 0.0000000000000000, 0.0008575500000000 ] - [ 0.0098231800000000, 0.0000000000000000, -0.0038790700000000 ] - [ -0.0010685200000000, 0.0000000000000000, -0.0012505200000000 ] - [ -0.0015137400000000, 0.0000000000000000, 0.0007541600000000 ] - [ 0.0009800800000000, 0.0000000000000000, -0.0001655400000000 ] - [ -0.0000703600000000, 0.0000000000000000, -0.0020534700000000 ] - [ 0.0007178200000000, 0.0000000000000000, -0.0008500300000000 ] - [ 0.0012785500000000, 0.0000000000000000, 0.0015048600000000 ] - [ 0.0010480700000000, 0.0000000000000000, 0.0009654100000000 ] - [ -0.0024328000000000, -0.0055180300000000, -0.0020658900000000 ] - [ 0.0006838800000000, 0.0009338700000000, -0.0001767900000000 ] - [ 0.0010230400000000, 0.0024098800000000, 0.0017958500000000 ] - [ 0.0005520900000000, 0.0013394600000000, 0.0011351800000000 ] - [ -0.0024328000000000, 0.0055180300000000, -0.0020658900000000 ] - [ 0.0006838800000000, -0.0009338700000000, -0.0001767900000000 ] - [ 0.0010230400000000, -0.0024098800000000, 0.0017958500000000 ] - [ 0.0005520900000000, -0.0013394600000000, 0.0011351800000000 ] - [ -0.0037492400000000, -0.0006950800000000, 0.0001385200000000 ] - [ 0.0002811000000000, 0.0008542700000000, -0.0022728700000000 ] - [ -0.0006808900000000, 0.0009457500000000, 0.0004938900000000 ] - [ -0.0011575900000000, 0.0012080200000000, 0.0003539200000000 ] - [ -0.0037492400000000, 0.0006950800000000, 0.0001385200000000 ] - [ 0.0002811000000000, -0.0008542700000000, -0.0022728700000000 ] - [ -0.0006808900000000, -0.0009457500000000, 0.0004938900000000 ] - [ -0.0011575900000000, -0.0012080200000000, 0.0003539200000000 ] - [ -0.0027405200000000, 0.0000000000000000, -0.0056000300000000 ] - [ -0.0016078100000000, 0.0000000000000000, -0.0037496600000000 ] - [ -0.0008718600000000, 0.0000000000000000, 0.0008323700000000 ] - [ -0.0012149600000000, 0.0000000000000000, 0.0017962600000000 ] - [ 0.0003506700000000, 0.0000000000000000, -0.0003015400000000 ] - [ -0.0022396200000000, 0.0000000000000000, -0.0002075000000000 ] - [ -0.0009914400000000, 0.0000000000000000, 0.0015584800000000 ] - [ 0.0003006300000000, 0.0000000000000000, 0.0014090800000000 ] - [ 0.0022048800000000, 0.0014049700000000, 0.0001334200000000 ] - [ -0.0002181900000000, -0.0005664500000000, 0.0005460600000000 ] - [ -0.0002662200000000, -0.0011231000000000, -0.0003127600000000 ] - [ 0.0003185200000000, -0.0006139900000000, -0.0001914500000000 ] - [ 0.0022048800000000, -0.0014049700000000, 0.0001334200000000 ] - [ -0.0002181900000000, 0.0005664500000000, 0.0005460600000000 ] - [ -0.0002662200000000, 0.0011231000000000, -0.0003127600000000 ] - [ 0.0003185200000000, 0.0006139900000000, -0.0001914500000000 ] - [ -0.0004170400000000, 0.0000000000000000, 0.0040255000000000 ] - [ 0.0008936700000000, 0.0000000000000000, 0.0014592600000000 ] - [ 0.0007064300000000, 0.0000000000000000, -0.0011882800000000 ] - [ 0.0000373700000000, 0.0000000000000000, -0.0002752200000000 ] - [ 0.0003006600000000, 0.0000000000000000, 0.0011981900000000 ] - [ 0.0008441500000000, 0.0000000000000000, 0.0001233700000000 ] - [ 0.0002664200000000, 0.0000000000000000, -0.0016360000000000 ] - [ -0.0000466400000000, 0.0000000000000000, -0.0010846800000000 ] - [ -0.0007540800000000, 0.0012822100000000, 0.0030916400000000 ] - [ -0.0007640600000000, -0.0001387300000000, 0.0005766600000000 ] - [ -0.0009802700000000, -0.0008536500000000, -0.0012141300000000 ] - [ -0.0009301900000000, -0.0004642000000000, -0.0005934000000000 ] - [ -0.0007540800000000, -0.0012822100000000, 0.0030916400000000 ] - [ -0.0007640600000000, 0.0001387300000000, 0.0005766600000000 ] - [ -0.0009802700000000, 0.0008536500000000, -0.0012141300000000 ] - [ -0.0009301900000000, 0.0004642000000000, -0.0005934000000000 ] - [ -0.0043957800000000, 0.0000000000000000, -0.0017090400000000 ] - [ -0.0000502700000000, 0.0000000000000000, -0.0004634400000000 ] - [ 0.0010844700000000, 0.0000000000000000, -0.0025875100000000 ] - [ -0.0009457800000000, 0.0000000000000000, -0.0003469600000000 ] - [ 0.0011173400000000, -0.0012598700000000, 0.0030159200000000 ] - [ -0.0001369400000000, 0.0003782900000000, 0.0001568800000000 ] - [ -0.0000179900000000, 0.0016933800000000, -0.0015903400000000 ] - [ -0.0001781600000000, 0.0007395500000000, -0.0004215900000000 ] - [ 0.0011173400000000, 0.0012598700000000, 0.0030159200000000 ] - [ -0.0001369400000000, -0.0003782900000000, 0.0001568800000000 ] - [ -0.0000179900000000, -0.0016933800000000, -0.0015903400000000 ] - [ -0.0001781600000000, -0.0007395500000000, -0.0004215900000000 ] - [ 0.0008214000000000, 0.0004256600000000, 0.0000506100000000 ] - [ -0.0000329100000000, -0.0002956500000000, 0.0005512000000000 ] - [ -0.0001974900000000, -0.0006969600000000, -0.0004961100000000 ] - [ 0.0003027600000000, -0.0005908700000000, -0.0002067700000000 ] - [ 0.0008214000000000, -0.0004256600000000, 0.0000506100000000 ] - [ -0.0000329100000000, 0.0002956500000000, 0.0005512000000000 ] - [ -0.0001974900000000, 0.0006969600000000, -0.0004961100000000 ] - [ 0.0003027600000000, 0.0005908700000000, -0.0002067700000000 ] - [ -0.0001735200000000, 0.0000000000000000, 0.0004298400000000 ] - [ 0.0017771900000000, 0.0000000000000000, -0.0001155600000000 ] - [ 0.0012757000000000, 0.0000000000000000, -0.0004172400000000 ] - [ 0.0004233000000000, 0.0000000000000000, 0.0003051000000000 ] - [ -0.0002977600000000, -0.0018219500000000, 0.0031382100000000 ] - [ 0.0008042800000000, -0.0006309100000000, 0.0016276600000000 ] - [ 0.0009676700000000, -0.0000599100000000, -0.0007352900000000 ] - [ 0.0009562100000000, -0.0000197200000000, -0.0008658900000000 ] - [ -0.0002977600000000, 0.0018219500000000, 0.0031382100000000 ] - [ 0.0008042800000000, 0.0006309100000000, 0.0016276600000000 ] - [ 0.0009676700000000, 0.0000599100000000, -0.0007352900000000 ] - [ 0.0009562100000000, 0.0000197200000000, -0.0008658900000000 ] - [ -0.0021361700000000, 0.0000000000000000, 0.0022285000000000 ] - [ 0.0018419000000000, 0.0000000000000000, 0.0024513400000000 ] - [ -0.0001439300000000, 0.0000000000000000, -0.0003096300000000 ] - [ -0.0011221000000000, 0.0000000000000000, -0.0019328200000000 ] - [ -0.0001632200000000, 0.0000000000000000, 0.0005701100000000 ] - [ 0.0004754600000000, 0.0000000000000000, 0.0007495900000000 ] - [ 0.0000537400000000, 0.0000000000000000, -0.0011567400000000 ] - [ -0.0002088900000000, 0.0000000000000000, -0.0012390300000000 ] - [ 0.0009205100000000, -0.0007100600000000, -0.0000948500000000 ] - [ -0.0022409900000000, 0.0002865500000000, 0.0011829100000000 ] - [ -0.0003935200000000, -0.0006203800000000, -0.0008050400000000 ] - [ 0.0006731300000000, -0.0008485900000000, -0.0008317500000000 ] - [ 0.0009205100000000, 0.0007100600000000, -0.0000948500000000 ] - [ -0.0022409900000000, -0.0002865500000000, 0.0011829100000000 ] - [ -0.0003935200000000, 0.0006203800000000, -0.0008050400000000 ] - [ 0.0006731300000000, 0.0008485900000000, -0.0008317500000000 ]- atom: 9 displacement: [ 0.0015728055973509, 0.0000000000000000, -0.0098755396081906 ] forces: - [ -0.0013692900000000, -0.0031304900000000, -0.0005092200000000 ] - [ 0.0001769000000000, -0.0001382100000000, 0.0002452400000000 ] - [ 0.0001991000000000, 0.0002842700000000, -0.0008324800000000 ] - [ -0.0001746300000000, -0.0000071300000000, 0.0000716000000000 ] - [ -0.0013692900000000, 0.0031304900000000, -0.0005092200000000 ] - [ 0.0001769000000000, 0.0001382100000000, 0.0002452400000000 ] - [ 0.0001991000000000, -0.0002842700000000, -0.0008324800000000 ] - [ -0.0001746300000000, 0.0000071300000000, 0.0000716000000000 ] - [ -0.0117710300000000, 0.0000000000000000, 0.0248365900000000 ] - [ -0.0000751300000000, 0.0000000000000000, 0.0005758900000000 ] - [ -0.0001901000000000, 0.0000000000000000, -0.0007414400000000 ] - [ -0.0004041500000000, 0.0000000000000000, -0.0001201700000000 ] - [ -0.0003924600000000, 0.0000000000000000, 0.0009365900000000 ] - [ 0.0005874800000000, 0.0000000000000000, 0.0002217600000000 ] - [ 0.0004715300000000, 0.0000000000000000, -0.0006966600000000 ] - [ 0.0002895500000000, 0.0000000000000000, -0.0004284400000000 ] - [ -0.0024452300000000, -0.0020386700000000, -0.0009132500000000 ] - [ 0.0006569900000000, -0.0001385400000000, -0.0001004900000000 ] - [ 0.0004366700000000, 0.0000338600000000, -0.0007351100000000 ] - [ -0.0002209100000000, 0.0001416500000000, -0.0004561900000000 ] - [ -0.0024452300000000, 0.0020386700000000, -0.0009132500000000 ] - [ 0.0006569900000000, 0.0001385400000000, -0.0001004900000000 ] - [ 0.0004366700000000, -0.0000338600000000, -0.0007351100000000 ] - [ -0.0002209100000000, -0.0001416500000000, -0.0004561900000000 ] - [ 0.0112187700000000, 0.0000000000000000, -0.0097690900000000 ] - [ -0.0003293900000000, 0.0000000000000000, 0.0001476600000000 ] - [ 0.0004157100000000, 0.0000000000000000, -0.0057001000000000 ] - [ 0.0004112700000000, 0.0000000000000000, -0.0005788100000000 ] - [ 0.0009416000000000, 0.0000000000000000, -0.0005852600000000 ] - [ -0.0001401100000000, 0.0000000000000000, 0.0004835400000000 ] - [ -0.0009861400000000, 0.0000000000000000, -0.0006616900000000 ] - [ 0.0000819700000000, 0.0000000000000000, -0.0010238100000000 ] - [ -0.0089652100000000, 0.0000000000000000, 0.0021516600000000 ] - [ 0.0018808900000000, 0.0000000000000000, -0.0004380000000000 ] - [ 0.0023332800000000, 0.0000000000000000, -0.0024327000000000 ] - [ -0.0001693200000000, 0.0000000000000000, -0.0015137500000000 ] - [ 0.0020801600000000, 0.0000000000000000, 0.0024766900000000 ] - [ 0.0012995100000000, 0.0000000000000000, 0.0012824100000000 ] - [ 0.0007401100000000, 0.0000000000000000, -0.0010682400000000 ] - [ 0.0009675500000000, 0.0000000000000000, -0.0005300600000000 ] - [ 0.0037941400000000, 0.0079535200000000, 0.0032834900000000 ] - [ 0.0006769600000000, 0.0014883300000000, 0.0013885200000000 ] - [ 0.0003399900000000, 0.0000176500000000, -0.0005851200000000 ] - [ 0.0008075700000000, 0.0010818000000000, 0.0000730200000000 ] - [ 0.0037941400000000, -0.0079535200000000, 0.0032834900000000 ] - [ 0.0006769600000000, -0.0014883300000000, 0.0013885200000000 ] - [ 0.0003399900000000, -0.0000176500000000, -0.0005851200000000 ] - [ 0.0008075700000000, -0.0010818000000000, 0.0000730200000000 ] - [ 0.0023753200000000, 0.0031141100000000, -0.0013896600000000 ] - [ -0.0016421600000000, 0.0015703300000000, 0.0010574200000000 ] - [ -0.0006779600000000, 0.0014736900000000, -0.0017034400000000 ] - [ -0.0002019100000000, 0.0012128000000000, -0.0015618200000000 ] - [ 0.0023753200000000, -0.0031141100000000, -0.0013896600000000 ] - [ -0.0016421600000000, -0.0015703300000000, 0.0010574200000000 ] - [ -0.0006779600000000, -0.0014736900000000, -0.0017034400000000 ] - [ -0.0002019100000000, -0.0012128000000000, -0.0015618200000000 ] - [ 0.0007873200000000, 0.0000000000000000, 0.0051817100000000 ] - [ -0.0004329900000000, 0.0000000000000000, 0.0033404200000000 ] - [ -0.0011454100000000, 0.0000000000000000, -0.0012675800000000 ] - [ -0.0007990000000000, 0.0000000000000000, -0.0022294600000000 ] - [ -0.0011658500000000, 0.0000000000000000, 0.0019839800000000 ] - [ 0.0014235000000000, 0.0000000000000000, 0.0018916500000000 ] - [ 0.0001764600000000, 0.0000000000000000, 0.0001202600000000 ] - [ -0.0011107100000000, 0.0000000000000000, 0.0002699700000000 ] - [ -0.0020627100000000, -0.0026399100000000, 0.0001533100000000 ] - [ 0.0003563500000000, -0.0006694000000000, -0.0002583600000000 ] - [ 0.0004006600000000, -0.0001148700000000, 0.0006015000000000 ] - [ -0.0001795100000000, -0.0006214500000000, 0.0004802800000000 ] - [ -0.0020627100000000, 0.0026399100000000, 0.0001533100000000 ] - [ 0.0003563500000000, 0.0006694000000000, -0.0002583600000000 ] - [ 0.0004006600000000, 0.0001148700000000, 0.0006015000000000 ] - [ -0.0001795100000000, 0.0006214500000000, 0.0004802800000000 ] - [ 0.0004510400000000, 0.0000000000000000, -0.0031526000000000 ] - [ -0.0007232300000000, 0.0000000000000000, -0.0005556100000000 ] - [ -0.0005282700000000, 0.0000000000000000, 0.0020843200000000 ] - [ 0.0001448800000000, 0.0000000000000000, 0.0011734500000000 ] - [ 0.0001536600000000, 0.0000000000000000, -0.0022397900000000 ] - [ -0.0003869700000000, 0.0000000000000000, -0.0011724900000000 ] - [ 0.0001851700000000, 0.0000000000000000, 0.0005820500000000 ] - [ 0.0005036300000000, 0.0000000000000000, 0.0000310400000000 ] - [ -0.0011003400000000, -0.0019323400000000, -0.0033224100000000 ] - [ -0.0010923100000000, -0.0005149800000000, -0.0007999900000000 ] - [ -0.0008769100000000, 0.0002003700000000, 0.0009885400000000 ] - [ -0.0009260300000000, -0.0001883300000000, 0.0003707100000000 ] - [ -0.0011003400000000, 0.0019323400000000, -0.0033224100000000 ] - [ -0.0010923100000000, 0.0005149800000000, -0.0007999900000000 ] - [ -0.0008769100000000, -0.0002003700000000, 0.0009885400000000 ] - [ -0.0009260300000000, 0.0001883300000000, 0.0003707100000000 ] - [ 0.0030641500000000, 0.0000000000000000, 0.0014318500000000 ] - [ -0.0013204400000000, 0.0000000000000000, -0.0000018400000000 ] - [ -0.0024577400000000, 0.0000000000000000, 0.0021210300000000 ] - [ -0.0004235800000000, 0.0000000000000000, -0.0001223500000000 ] - [ -0.0013219200000000, 0.0023747600000000, -0.0035439700000000 ] - [ -0.0001510800000000, 0.0008957300000000, -0.0004596600000000 ] - [ -0.0002748100000000, -0.0004151800000000, 0.0012828600000000 ] - [ -0.0001101200000000, 0.0005334900000000, 0.0001204100000000 ] - [ -0.0013219200000000, -0.0023747600000000, -0.0035439700000000 ] - [ -0.0001510800000000, -0.0008957300000000, -0.0004596600000000 ] - [ -0.0002748100000000, 0.0004151800000000, 0.0012828600000000 ] - [ -0.0001101200000000, -0.0005334900000000, 0.0001204100000000 ] - [ -0.0005258000000000, -0.0017021000000000, 0.0002625600000000 ] - [ 0.0003226400000000, -0.0009776700000000, -0.0002464700000000 ] - [ 0.0004860300000000, -0.0005750500000000, 0.0007974200000000 ] - [ -0.0000136400000000, -0.0006809800000000, 0.0005074900000000 ] - [ -0.0005258000000000, 0.0017021000000000, 0.0002625600000000 ] - [ 0.0003226400000000, 0.0009776700000000, -0.0002464700000000 ] - [ 0.0004860300000000, 0.0005750500000000, 0.0007974200000000 ] - [ -0.0000136400000000, 0.0006809800000000, 0.0005074900000000 ] - [ 0.0015430700000000, 0.0000000000000000, 0.0000351100000000 ] - [ -0.0004026300000000, 0.0000000000000000, 0.0005797400000000 ] - [ 0.0000939000000000, 0.0000000000000000, 0.0008875700000000 ] - [ 0.0009438900000000, 0.0000000000000000, 0.0001667300000000 ] - [ 0.0021413700000000, 0.0011628900000000, -0.0029205600000000 ] - [ 0.0010602700000000, -0.0000256800000000, -0.0014045600000000 ] - [ 0.0008896800000000, -0.0005926600000000, 0.0009576300000000 ] - [ 0.0008998300000000, -0.0006324600000000, 0.0010876600000000 ] - [ 0.0021413700000000, -0.0011628900000000, -0.0029205600000000 ] - [ 0.0010602700000000, 0.0000256800000000, -0.0014045600000000 ] - [ 0.0008896800000000, 0.0005926600000000, 0.0009576300000000 ] - [ 0.0008998300000000, 0.0006324600000000, 0.0010876600000000 ] - [ 0.0016863900000000, 0.0000000000000000, -0.0011936100000000 ] - [ -0.0023034400000000, 0.0000000000000000, -0.0014116700000000 ] - [ -0.0003077600000000, 0.0000000000000000, 0.0013606400000000 ] - [ 0.0006633000000000, 0.0000000000000000, 0.0029837400000000 ] - [ -0.0000192200000000, 0.0000000000000000, -0.0014680200000000 ] - [ -0.0006517800000000, 0.0000000000000000, -0.0016484600000000 ] - [ -0.0002331300000000, 0.0000000000000000, 0.0002594700000000 ] - [ 0.0000253200000000, 0.0000000000000000, 0.0003408500000000 ] - [ -0.0010594600000000, -0.0005218800000000, -0.0001790800000000 ] - [ 0.0020967000000000, -0.0015224700000000, -0.0014600800000000 ] - [ 0.0002567200000000, -0.0006141300000000, 0.0005171600000000 ] - [ -0.0008120800000000, -0.0003855000000000, 0.0005417500000000 ] - [ -0.0010594600000000, 0.0005218800000000, -0.0001790800000000 ] - [ 0.0020967000000000, 0.0015224700000000, -0.0014600800000000 ] - [ 0.0002567200000000, 0.0006141300000000, 0.0005171600000000 ] - [ -0.0008120800000000, 0.0003855000000000, 0.0005417500000000 ]- atom: 25 displacement: [ 0.0099999999923824, 0.0000000000000000, -0.0000003903221875 ] forces: - [ -0.0008570800000000, 0.0004591100000000, -0.0010677200000000 ] - [ 0.0008185100000000, 0.0000436800000000, 0.0004278200000000 ] - [ -0.0039892800000000, 0.0005555500000000, 0.0018645800000000 ] - [ 0.0012185800000000, -0.0000939600000000, 0.0002693100000000 ] - [ -0.0008570800000000, -0.0004591100000000, -0.0010677200000000 ] - [ 0.0008185100000000, -0.0000436800000000, 0.0004278200000000 ] - [ -0.0039892800000000, -0.0005555500000000, 0.0018645800000000 ] - [ 0.0012185800000000, 0.0000939600000000, 0.0002693100000000 ] - [ 0.0018716100000000, 0.0000000000000000, -0.0104674800000000 ] - [ 0.0027185700000000, 0.0000000000000000, 0.0012680100000000 ] - [ -0.0018299500000000, 0.0000000000000000, -0.0002005400000000 ] - [ 0.0007554000000000, 0.0000000000000000, 0.0002010100000000 ] - [ 0.0014801400000000, 0.0000000000000000, -0.0012183500000000 ] - [ 0.0006250000000000, 0.0000000000000000, -0.0002548500000000 ] - [ -0.0003558600000000, 0.0000000000000000, 0.0004427300000000 ] - [ 0.0009206400000000, 0.0000000000000000, -0.0004374400000000 ] - [ 0.0049153100000000, 0.0024640000000000, -0.0004497900000000 ] - [ 0.0053105300000000, -0.0071138400000000, -0.0000343000000000 ] - [ -0.0001258000000000, -0.0000523500000000, -0.0001854300000000 ] - [ 0.0002776400000000, -0.0002818300000000, -0.0001181200000000 ] - [ 0.0049153100000000, -0.0024640000000000, -0.0004497900000000 ] - [ 0.0053105300000000, 0.0071138400000000, -0.0000343000000000 ] - [ -0.0001258000000000, 0.0000523500000000, -0.0001854300000000 ] - [ 0.0002776400000000, 0.0002818300000000, -0.0001181200000000 ] - [ -0.2407419200000000, 0.0000000000000000, -0.0014801700000000 ] - [ 0.0053415600000000, 0.0000000000000000, 0.0002172700000000 ] - [ -0.0010400700000000, 0.0000000000000000, -0.0004647200000000 ] - [ 0.0014944100000000, 0.0000000000000000, 0.0006797500000000 ] - [ 0.0007265500000000, 0.0000000000000000, -0.0007045300000000 ] - [ -0.0031514700000000, 0.0000000000000000, -0.0004650900000000 ] - [ 0.0017208500000000, 0.0000000000000000, 0.0012944400000000 ] - [ -0.0015360900000000, 0.0000000000000000, 0.0006250500000000 ] - [ -0.0012076700000000, 0.0000000000000000, 0.0016817900000000 ] - [ 0.0020593700000000, 0.0000000000000000, -0.0014624900000000 ] - [ -0.0000800000000000, 0.0000000000000000, -0.0175222300000000 ] - [ 0.0038524300000000, 0.0000000000000000, 0.0003372400000000 ] - [ -0.0058750300000000, 0.0000000000000000, -0.0032174400000000 ] - [ 0.0029206000000000, 0.0000000000000000, 0.0003203200000000 ] - [ 0.0002682500000000, 0.0000000000000000, -0.0001004600000000 ] - [ 0.0020103100000000, 0.0000000000000000, 0.0015035800000000 ] - [ -0.0178288400000000, -0.0162092300000000, -0.0025400300000000 ] - [ 0.0026996200000000, 0.0029457200000000, 0.0003092800000000 ] - [ 0.0003323300000000, 0.0013030900000000, 0.0004034600000000 ] - [ 0.0012440100000000, 0.0016747500000000, 0.0008944000000000 ] - [ -0.0178288400000000, 0.0162092300000000, -0.0025400300000000 ] - [ 0.0026996200000000, -0.0029457200000000, 0.0003092800000000 ] - [ 0.0003323300000000, -0.0013030900000000, 0.0004034600000000 ] - [ 0.0012440100000000, -0.0016747500000000, 0.0008944000000000 ] - [ 0.0000970200000000, 0.0020244600000000, -0.0029075600000000 ] - [ -0.0025995100000000, -0.0023812500000000, 0.0044961900000000 ] - [ -0.0007858600000000, 0.0009902700000000, 0.0025337200000000 ] - [ 0.0035185100000000, -0.0017200100000000, -0.0033818900000000 ] - [ 0.0000970200000000, -0.0020244600000000, -0.0029075600000000 ] - [ -0.0025995100000000, 0.0023812500000000, 0.0044961900000000 ] - [ -0.0007858600000000, -0.0009902700000000, 0.0025337200000000 ] - [ 0.0035185100000000, 0.0017200100000000, -0.0033818900000000 ] - [ 0.0016468200000000, 0.0000000000000000, -0.0014531900000000 ] - [ 0.0020329500000000, 0.0000000000000000, 0.0378697900000000 ] - [ -0.0004734400000000, 0.0000000000000000, 0.0010912900000000 ] - [ -0.0009112300000000, 0.0000000000000000, -0.0020522100000000 ] - [ 0.0026307600000000, 0.0000000000000000, 0.0002243400000000 ] - [ -0.0044739900000000, 0.0000000000000000, 0.0002325200000000 ] - [ 0.0001510000000000, 0.0000000000000000, 0.0014560700000000 ] - [ -0.0008554900000000, 0.0000000000000000, 0.0003149300000000 ] - [ 0.0114641700000000, 0.0036435600000000, -0.0026419800000000 ] - [ -0.0021067600000000, -0.0015282100000000, 0.0006227400000000 ] - [ 0.0004720400000000, -0.0006356900000000, 0.0003607200000000 ] - [ -0.0004635000000000, -0.0008757000000000, -0.0000092600000000 ] - [ 0.0114641700000000, -0.0036435600000000, -0.0026419800000000 ] - [ -0.0021067600000000, 0.0015282100000000, 0.0006227400000000 ] - [ 0.0004720400000000, 0.0006356900000000, 0.0003607200000000 ] - [ -0.0004635000000000, 0.0008757000000000, -0.0000092600000000 ] - [ 0.0093535000000000, 0.0000000000000000, -0.0080380200000000 ] - [ -0.0019502500000000, 0.0000000000000000, 0.0013474000000000 ] - [ 0.0008862300000000, 0.0000000000000000, 0.0022550800000000 ] - [ -0.0007670900000000, 0.0000000000000000, -0.0007059800000000 ] - [ 0.0028641700000000, 0.0000000000000000, 0.0030526300000000 ] - [ -0.0006744500000000, 0.0000000000000000, -0.0006918900000000 ] - [ 0.0013710600000000, 0.0000000000000000, -0.0005855600000000 ] - [ -0.0010597800000000, 0.0000000000000000, -0.0016164000000000 ] - [ 0.0027963500000000, 0.0065732800000000, 0.0065357600000000 ] - [ -0.0020695800000000, -0.0009295800000000, -0.0001597200000000 ] - [ -0.0003260300000000, -0.0003932500000000, 0.0000167500000000 ] - [ -0.0016097900000000, -0.0006352800000000, -0.0005575300000000 ] - [ 0.0027963500000000, -0.0065732800000000, 0.0065357600000000 ] - [ -0.0020695800000000, 0.0009295800000000, -0.0001597200000000 ] - [ -0.0003260300000000, 0.0003932500000000, 0.0000167500000000 ] - [ -0.0016097900000000, 0.0006352800000000, -0.0005575300000000 ] - [ 0.0016636900000000, 0.0000000000000000, -0.0007793200000000 ] - [ -0.0021495800000000, 0.0000000000000000, -0.0003307400000000 ] - [ 0.0209274700000000, 0.0000000000000000, -0.0104106900000000 ] - [ -0.0031776100000000, 0.0000000000000000, 0.0000441300000000 ] - [ 0.0508239200000000, 0.0355097200000000, -0.0153468100000000 ] - [ -0.0033556900000000, 0.0013440700000000, -0.0003094200000000 ] - [ 0.0005616700000000, 0.0009106700000000, 0.0000579100000000 ] - [ -0.0009287200000000, 0.0007772900000000, -0.0004174500000000 ] - [ 0.0508239200000000, -0.0355097200000000, -0.0153468100000000 ] - [ -0.0033556900000000, -0.0013440700000000, -0.0003094200000000 ] - [ 0.0005616700000000, -0.0009106700000000, 0.0000579100000000 ] - [ -0.0009287200000000, -0.0007772900000000, -0.0004174500000000 ] - [ -0.0001165900000000, -0.0010821300000000, 0.0010898400000000 ] - [ 0.0000979500000000, 0.0021010300000000, -0.0014325400000000 ] - [ -0.0004283000000000, -0.0011032100000000, -0.0015172600000000 ] - [ -0.0012292200000000, 0.0011849900000000, 0.0001877000000000 ] - [ -0.0001165900000000, 0.0010821300000000, 0.0010898400000000 ] - [ 0.0000979500000000, -0.0021010300000000, -0.0014325400000000 ] - [ -0.0004283000000000, 0.0011032100000000, -0.0015172600000000 ] - [ -0.0012292200000000, -0.0011849900000000, 0.0001877000000000 ] - [ -0.0017268800000000, 0.0000000000000000, 0.0001926600000000 ] - [ 0.0037902800000000, 0.0000000000000000, -0.0007757300000000 ] - [ 0.0004523000000000, 0.0000000000000000, 0.0004529200000000 ] - [ 0.0011799600000000, 0.0000000000000000, 0.0001953000000000 ] - [ -0.0008098300000000, -0.0008166300000000, 0.0020533000000000 ] - [ -0.0013115300000000, 0.0052470500000000, -0.0102811600000000 ] - [ 0.0013273800000000, 0.0003532600000000, -0.0013914700000000 ] - [ -0.0004343300000000, -0.0003880100000000, 0.0021421700000000 ] - [ -0.0008098300000000, 0.0008166300000000, 0.0020533000000000 ] - [ -0.0013115300000000, -0.0052470500000000, -0.0102811600000000 ] - [ 0.0013273800000000, -0.0003532600000000, -0.0013914700000000 ] - [ -0.0004343300000000, 0.0003880100000000, 0.0021421700000000 ] - [ -0.0041035500000000, 0.0000000000000000, 0.0005402800000000 ] - [ 0.1131373000000000, 0.0000000000000000, 0.0461532200000000 ] - [ -0.0007089800000000, 0.0000000000000000, -0.0003780000000000 ] - [ 0.0002126200000000, 0.0000000000000000, 0.0014529000000000 ] - [ -0.0017639700000000, 0.0000000000000000, 0.0001145100000000 ] - [ 0.0036053800000000, 0.0000000000000000, -0.0001992900000000 ] - [ -0.0006237800000000, 0.0000000000000000, -0.0011464100000000 ] - [ 0.0003779400000000, 0.0000000000000000, -0.0002028700000000 ] - [ -0.0011237100000000, -0.0003140900000000, 0.0007633100000000 ] - [ 0.0015333600000000, -0.0002505600000000, -0.0020323400000000 ] - [ -0.0018574400000000, -0.0007559800000000, -0.0019988900000000 ] - [ -0.0020570200000000, 0.0019563800000000, 0.0046521400000000 ] - [ -0.0011237100000000, 0.0003140900000000, 0.0007633100000000 ] - [ 0.0015333600000000, 0.0002505600000000, -0.0020323400000000 ] - [ -0.0018574400000000, 0.0007559800000000, -0.0019988900000000 ] - [ -0.0020570200000000, -0.0019563800000000, 0.0046521400000000 ]- atom: 25 displacement: [ -0.0099999999923824, 0.0000000000000000, 0.0000003903221875 ] forces: - [ 0.0006898900000000, -0.0005647500000000, 0.0014378900000000 ] - [ -0.0009912300000000, -0.0001508800000000, -0.0000541800000000 ] - [ 0.0038157900000000, -0.0006932900000000, -0.0014621600000000 ] - [ -0.0013898500000000, -0.0000104000000000, 0.0001046300000000 ] - [ 0.0006898900000000, 0.0005647500000000, 0.0014378900000000 ] - [ -0.0009912300000000, 0.0001508800000000, -0.0000541800000000 ] - [ 0.0038157900000000, 0.0006932900000000, -0.0014621600000000 ] - [ -0.0013898500000000, 0.0000104000000000, 0.0001046300000000 ] - [ -0.0025009200000000, 0.0000000000000000, 0.0108688100000000 ] - [ -0.0033725600000000, 0.0000000000000000, -0.0009316400000000 ] - [ 0.0011904800000000, 0.0000000000000000, 0.0005461000000000 ] - [ -0.0014023200000000, 0.0000000000000000, 0.0001312500000000 ] - [ -0.0008225400000000, 0.0000000000000000, 0.0008791400000000 ] - [ 0.0000167100000000, 0.0000000000000000, -0.0000786000000000 ] - [ 0.0010064600000000, 0.0000000000000000, -0.0007777700000000 ] - [ -0.0002749000000000, 0.0000000000000000, 0.0000993000000000 ] - [ -0.0047593600000000, -0.0026061100000000, 0.0000848600000000 ] - [ -0.0050966700000000, 0.0069539900000000, -0.0003205100000000 ] - [ 0.0002990900000000, -0.0000558600000000, -0.0001889200000000 ] - [ -0.0001078700000000, 0.0001743400000000, -0.0002605100000000 ] - [ -0.0047593600000000, 0.0026061100000000, 0.0000848600000000 ] - [ -0.0050966700000000, -0.0069539900000000, -0.0003205100000000 ] - [ 0.0002990900000000, 0.0000558600000000, -0.0001889200000000 ] - [ -0.0001078700000000, -0.0001743400000000, -0.0002605100000000 ] - [ 0.2372814000000000, 0.0000000000000000, -0.0041506500000000 ] - [ -0.0048060300000000, 0.0000000000000000, -0.0000494600000000 ] - [ 0.0015901400000000, 0.0000000000000000, 0.0006278800000000 ] - [ -0.0009477100000000, 0.0000000000000000, -0.0005126000000000 ] - [ -0.0012704000000000, 0.0000000000000000, 0.0005359700000000 ] - [ 0.0025901700000000, 0.0000000000000000, 0.0002906600000000 ] - [ -0.0022658500000000, 0.0000000000000000, -0.0014523700000000 ] - [ 0.0009698800000000, 0.0000000000000000, -0.0007898100000000 ] - [ 0.0020343900000000, 0.0000000000000000, -0.0033734200000000 ] - [ -0.0012452500000000, 0.0000000000000000, -0.0002075500000000 ] - [ 0.0007873800000000, 0.0000000000000000, 0.0157422200000000 ] - [ -0.0030441000000000, 0.0000000000000000, -0.0020239500000000 ] - [ 0.0078790600000000, 0.0000000000000000, 0.0036474600000000 ] - [ -0.0009047500000000, 0.0000000000000000, 0.0001188200000000 ] - [ 0.0017430400000000, 0.0000000000000000, 0.0005375400000000 ] - [ 0.0000040300000000, 0.0000000000000000, -0.0010692600000000 ] - [ 0.0191396900000000, 0.0185167900000000, 0.0036960500000000 ] - [ -0.0013392900000000, -0.0005168500000000, 0.0009021600000000 ] - [ 0.0010280800000000, 0.0011194500000000, 0.0008032400000000 ] - [ 0.0001148300000000, 0.0007444800000000, 0.0003080200000000 ] - [ 0.0191396900000000, -0.0185167900000000, 0.0036960500000000 ] - [ -0.0013392900000000, 0.0005168500000000, 0.0009021600000000 ] - [ 0.0010280800000000, -0.0011194500000000, 0.0008032400000000 ] - [ 0.0001148300000000, -0.0007444800000000, 0.0003080200000000 ] - [ -0.0014523700000000, 0.0003889600000000, 0.0017079400000000 ] - [ 0.0012333800000000, 0.0047975500000000, -0.0056952200000000 ] - [ -0.0005537200000000, 0.0014170900000000, -0.0037562900000000 ] - [ -0.0048510600000000, 0.0041237000000000, 0.0021608400000000 ] - [ -0.0014523700000000, -0.0003889600000000, 0.0017079400000000 ] - [ 0.0012333800000000, -0.0047975500000000, -0.0056952200000000 ] - [ -0.0005537200000000, -0.0014170900000000, -0.0037562900000000 ] - [ -0.0048510600000000, -0.0041237000000000, 0.0021608400000000 ] - [ -0.0036591300000000, 0.0000000000000000, 0.0010392800000000 ] - [ -0.0039033300000000, 0.0000000000000000, -0.0382411400000000 ] - [ -0.0015336700000000, 0.0000000000000000, -0.0015323200000000 ] - [ -0.0011159800000000, 0.0000000000000000, 0.0016041800000000 ] - [ -0.0034359700000000, 0.0000000000000000, 0.0014525300000000 ] - [ 0.0036266400000000, 0.0000000000000000, 0.0014468300000000 ] - [ -0.0009644800000000, 0.0000000000000000, 0.0002178600000000 ] - [ 0.0000417200000000, 0.0000000000000000, 0.0013566300000000 ] - [ -0.0112887400000000, -0.0048694800000000, 0.0029075600000000 ] - [ 0.0022402500000000, 0.0002890300000000, -0.0003445200000000 ] - [ -0.0003356600000000, -0.0005999100000000, -0.0000800700000000 ] - [ 0.0006002800000000, -0.0003594100000000, 0.0002895800000000 ] - [ -0.0112887400000000, 0.0048694800000000, 0.0029075600000000 ] - [ 0.0022402500000000, -0.0002890300000000, -0.0003445200000000 ] - [ -0.0003356600000000, 0.0005999100000000, -0.0000800700000000 ] - [ 0.0006002800000000, 0.0003594100000000, 0.0002895800000000 ] - [ -0.0091605400000000, 0.0000000000000000, 0.0089139700000000 ] - [ 0.0021317600000000, 0.0000000000000000, -0.0004613600000000 ] - [ -0.0006727600000000, 0.0000000000000000, -0.0013773500000000 ] - [ 0.0009440000000000, 0.0000000000000000, 0.0016092300000000 ] - [ -0.0023968500000000, 0.0000000000000000, -0.0040887000000000 ] - [ 0.0011283500000000, 0.0000000000000000, -0.0003637800000000 ] - [ -0.0009100300000000, 0.0000000000000000, -0.0004718300000000 ] - [ 0.0015165900000000, 0.0000000000000000, 0.0005626000000000 ] - [ -0.0046434300000000, -0.0072053900000000, -0.0067194200000000 ] - [ 0.0002112100000000, 0.0002769200000000, -0.0000641800000000 ] - [ -0.0015317600000000, -0.0002539200000000, -0.0002379000000000 ] - [ -0.0002505600000000, -0.0000147500000000, 0.0003405700000000 ] - [ -0.0046434300000000, 0.0072053900000000, -0.0067194200000000 ] - [ 0.0002112100000000, -0.0002769200000000, -0.0000641800000000 ] - [ -0.0015317600000000, 0.0002539200000000, -0.0002379000000000 ] - [ -0.0002505600000000, 0.0000147500000000, 0.0003405700000000 ] - [ -0.0030335100000000, 0.0000000000000000, 0.0003230300000000 ] - [ 0.0007877600000000, 0.0000000000000000, -0.0001329300000000 ] - [ -0.0226045600000000, 0.0000000000000000, 0.0105573300000000 ] - [ 0.0018130900000000, 0.0000000000000000, -0.0005061000000000 ] - [ -0.0518374600000000, -0.0359891900000000, 0.0157237400000000 ] - [ 0.0030686600000000, -0.0000670700000000, -0.0000018000000000 ] - [ -0.0008476500000000, 0.0003630500000000, -0.0003663300000000 ] - [ 0.0006474300000000, 0.0004930400000000, 0.0001135100000000 ] - [ -0.0518374600000000, 0.0359891900000000, 0.0157237400000000 ] - [ 0.0030686600000000, 0.0000670700000000, -0.0000018000000000 ] - [ -0.0008476500000000, -0.0003630500000000, -0.0003663300000000 ] - [ 0.0006474300000000, -0.0004930400000000, 0.0001135100000000 ] - [ 0.0003976000000000, -0.0001830400000000, -0.0007842100000000 ] - [ 0.0001910300000000, -0.0033736800000000, 0.0017420500000000 ] - [ 0.0007041800000000, -0.0001629800000000, 0.0018230100000000 ] - [ 0.0015127200000000, -0.0024449800000000, 0.0001180700000000 ] - [ 0.0003976000000000, 0.0001830400000000, -0.0007842100000000 ] - [ 0.0001910300000000, 0.0033736800000000, 0.0017420500000000 ] - [ 0.0007041800000000, 0.0001629800000000, 0.0018230100000000 ] - [ 0.0015127200000000, 0.0024449800000000, 0.0001180700000000 ] - [ 0.0030813400000000, 0.0000000000000000, 0.0002659700000000 ] - [ -0.0024048100000000, 0.0000000000000000, 0.0012340100000000 ] - [ 0.0009118900000000, 0.0000000000000000, 0.0000140200000000 ] - [ 0.0001862000000000, 0.0000000000000000, 0.0002712900000000 ] - [ 0.0026670900000000, 0.0001751400000000, -0.0018426700000000 ] - [ 0.0031686600000000, -0.0059073600000000, 0.0104989200000000 ] - [ 0.0005245800000000, -0.0010015100000000, 0.0016142000000000 ] - [ 0.0022913000000000, -0.0002653800000000, -0.0019082000000000 ] - [ 0.0026670900000000, -0.0001751400000000, -0.0018426700000000 ] - [ 0.0031686600000000, 0.0059073600000000, 0.0104989200000000 ] - [ 0.0005245800000000, 0.0010015100000000, 0.0016142000000000 ] - [ 0.0022913000000000, 0.0002653800000000, -0.0019082000000000 ] - [ 0.0036666200000000, 0.0000000000000000, 0.0005027800000000 ] - [ -0.1080565800000000, 0.0000000000000000, -0.0414052500000000 ] - [ 0.0002516400000000, 0.0000000000000000, 0.0014328300000000 ] - [ -0.0006686300000000, 0.0000000000000000, -0.0003931000000000 ] - [ 0.0015820300000000, 0.0000000000000000, -0.0010105300000000 ] - [ -0.0037679500000000, 0.0000000000000000, -0.0006938100000000 ] - [ 0.0004454300000000, 0.0000000000000000, 0.0002537200000000 ] - [ -0.0005545900000000, 0.0000000000000000, -0.0006889800000000 ] - [ 0.0009869300000000, -0.0009184500000000, -0.0010446300000000 ] - [ -0.0016669600000000, -0.0009871700000000, 0.0017605600000000 ] - [ 0.0017228400000000, -0.0004671500000000, 0.0017359300000000 ] - [ 0.0019343700000000, -0.0031775300000000, -0.0048911100000000 ] - [ 0.0009869300000000, 0.0009184500000000, -0.0010446300000000 ] - [ -0.0016669600000000, 0.0009871700000000, 0.0017605600000000 ] - [ 0.0017228400000000, 0.0004671500000000, 0.0017359300000000 ] - [ 0.0019343700000000, 0.0031775300000000, -0.0048911100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000365300000000, -0.0000100600000000, 0.0014351800000000 ] - [ -0.0001322400000000, -0.0000387600000000, 0.0002000000000000 ] - [ 0.0009677200000000, 0.0048201100000000, -0.0079063600000000 ] - [ -0.0001738800000000, 0.0000108500000000, 0.0001472700000000 ] - [ -0.0001327100000000, 0.0001034400000000, -0.0010625000000000 ] - [ -0.0000371000000000, 0.0000713000000000, 0.0001711700000000 ] - [ -0.0011384900000000, 0.0048978900000000, 0.0081907600000000 ] - [ 0.0000056400000000, 0.0001208200000000, 0.0002250000000000 ] - [ -0.0003094500000000, -0.0075576900000000, 0.0001507500000000 ] - [ -0.0003263900000000, -0.0000853800000000, 0.0001660700000000 ] - [ -0.0003223800000000, -0.0002901000000000, 0.0001721600000000 ] - [ -0.0003230900000000, -0.0001334100000000, 0.0001677500000000 ] - [ 0.0003214500000000, 0.0027606500000000, -0.0001689600000000 ] - [ 0.0003270900000000, 0.0002125200000000, -0.0001644200000000 ] - [ 0.0003226400000000, 0.0005510800000000, -0.0001698100000000 ] - [ 0.0003240300000000, 0.0001507300000000, -0.0001686800000000 ] - [ 0.0051747100000000, 0.0003557300000000, 0.0002248600000000 ] - [ -0.0048109500000000, 0.0007977400000000, -0.0009921200000000 ] - [ 0.0001124600000000, -0.0000648800000000, -0.0001592200000000 ] - [ 0.0000653100000000, -0.0000488400000000, -0.0001298100000000 ] - [ -0.0050064400000000, 0.0004618700000000, -0.0005926100000000 ] - [ 0.0050146800000000, 0.0008849100000000, 0.0006243400000000 ] - [ 0.0000567100000000, 0.0000445600000000, -0.0002124100000000 ] - [ 0.0001038900000000, 0.0000584800000000, -0.0002431300000000 ] - [ 0.0033624300000000, -0.1920087000000000, -0.0016261200000000 ] - [ 0.0002757000000000, -0.0004697500000000, 0.0000839800000000 ] - [ 0.0002791200000000, -0.0002421800000000, 0.0000794100000000 ] - [ 0.0002801900000000, -0.0000893100000000, 0.0000791100000000 ] - [ -0.0002752000000000, 0.0009408100000000, -0.0000835700000000 ] - [ -0.0002734500000000, 0.0000082700000000, -0.0000778000000000 ] - [ -0.0002808700000000, 0.0038213400000000, -0.0000810300000000 ] - [ -0.0002606800000000, 0.0020363700000000, -0.0001002200000000 ] - [ 0.0004077600000000, -0.0000589800000000, -0.0008515600000000 ] - [ 0.0004072600000000, -0.0007214000000000, -0.0008393200000000 ] - [ 0.0003733200000000, -0.0025147700000000, -0.0007964400000000 ] - [ 0.0004084000000000, -0.0023868900000000, -0.0008377800000000 ] - [ 0.0009966900000000, 0.0134918800000000, 0.0002403200000000 ] - [ 0.0010080100000000, 0.0002465700000000, 0.0002180300000000 ] - [ 0.0010061300000000, 0.0005034400000000, 0.0002076200000000 ] - [ 0.0010063900000000, 0.0002157300000000, 0.0002170300000000 ] - [ 0.0070492100000000, 0.0410315200000000, 0.0194496000000000 ] - [ 0.0005139400000000, 0.0012367200000000, 0.0007484300000000 ] - [ 0.0007089700000000, 0.0010929000000000, 0.0004128400000000 ] - [ 0.0006610300000000, 0.0011942600000000, 0.0005479700000000 ] - [ -0.0060427200000000, 0.0384176400000000, -0.0179836800000000 ] - [ 0.0008460700000000, -0.0011794400000000, 0.0004579500000000 ] - [ 0.0006491000000000, -0.0013211000000000, 0.0007883200000000 ] - [ 0.0006975000000000, -0.0012242300000000, 0.0006573000000000 ] - [ -0.0001884300000000, 0.0016360400000000, -0.0018528000000000 ] - [ -0.0012110500000000, 0.0013351700000000, -0.0011844000000000 ] - [ 0.0002933800000000, -0.0000971400000000, 0.0013003400000000 ] - [ -0.0022669100000000, 0.0023295500000000, 0.0005274800000000 ] - [ -0.0011699100000000, -0.0007885400000000, 0.0006416500000000 ] - [ -0.0001502000000000, -0.0010958200000000, -0.0000244400000000 ] - [ -0.0016561900000000, -0.0025369000000000, -0.0025089800000000 ] - [ 0.0009050900000000, -0.0000956700000000, -0.0017341900000000 ] - [ -0.0010058100000000, -0.0026633800000000, -0.0002186700000000 ] - [ -0.0010375000000000, -0.0018652300000000, -0.0002604200000000 ] - [ -0.0010066800000000, -0.0012400400000000, -0.0002175500000000 ] - [ -0.0010120100000000, -0.0011899600000000, -0.0002190700000000 ] - [ -0.0004076300000000, 0.0005731600000000, 0.0008393300000000 ] - [ -0.0003372900000000, 0.0204430900000000, 0.0008677900000000 ] - [ -0.0004077400000000, 0.0000761400000000, 0.0008375300000000 ] - [ -0.0004069400000000, 0.0002734400000000, 0.0008355900000000 ] - [ -0.0100328600000000, -0.0192617800000000, 0.0002514500000000 ] - [ 0.0001365400000000, -0.0009720100000000, 0.0000889300000000 ] - [ -0.0000556500000000, -0.0007239700000000, 0.0001672900000000 ] - [ 0.0000576700000000, -0.0006792800000000, 0.0001299400000000 ] - [ 0.0101656900000000, -0.0179688800000000, -0.0000537700000000 ] - [ -0.0000001000000000, 0.0002606100000000, 0.0001911100000000 ] - [ 0.0001922800000000, 0.0005066200000000, 0.0001133100000000 ] - [ 0.0000811100000000, 0.0005539700000000, 0.0001510500000000 ] - [ 0.0000814700000000, 0.0031888700000000, 0.0004692800000000 ] - [ 0.0000867000000000, 0.0006060800000000, 0.0004468300000000 ] - [ 0.0000986000000000, 0.0000968300000000, 0.0004310000000000 ] - [ 0.0000856800000000, 0.0006774600000000, 0.0004454000000000 ] - [ 0.0002327900000000, -0.0024050800000000, -0.0005310100000000 ] - [ 0.0002250200000000, -0.0001851400000000, -0.0005278600000000 ] - [ 0.0002285700000000, -0.0014875500000000, -0.0005144100000000 ] - [ 0.0002293200000000, -0.0005011100000000, -0.0005273700000000 ] - [ -0.0028464400000000, -0.0138871100000000, -0.0115120700000000 ] - [ -0.0009324200000000, -0.0004663700000000, -0.0002290700000000 ] - [ -0.0010881200000000, -0.0005526700000000, 0.0001388100000000 ] - [ -0.0009599600000000, -0.0004074000000000, -0.0000946300000000 ] - [ 0.0010387600000000, -0.0132715100000000, 0.0112946300000000 ] - [ -0.0009272500000000, 0.0001807800000000, 0.0000071000000000 ] - [ -0.0007686100000000, 0.0000865600000000, -0.0003524700000000 ] - [ -0.0008987900000000, 0.0002391300000000, -0.0001254000000000 ] - [ -0.0006848800000000, 0.0004848800000000, -0.0002251200000000 ] - [ -0.0006814000000000, 0.0001314300000000, -0.0002302700000000 ] - [ -0.0007224500000000, 0.0149276100000000, 0.0001646600000000 ] - [ -0.0006812400000000, 0.0004920800000000, -0.0002341700000000 ] - [ 0.0409427900000000, 0.0584732500000000, -0.0183492000000000 ] - [ 0.0000569600000000, 0.0007967400000000, -0.0000918800000000 ] - [ -0.0000768300000000, 0.0007814900000000, -0.0001776200000000 ] - [ -0.0001085200000000, 0.0006756600000000, -0.0001732100000000 ] - [ -0.0436891700000000, 0.0600446100000000, 0.0194336200000000 ] - [ -0.0003396900000000, -0.0004648100000000, -0.0002110600000000 ] - [ -0.0002065800000000, -0.0004851700000000, -0.0001282600000000 ] - [ -0.0001731700000000, -0.0005937800000000, -0.0001304000000000 ] - [ -0.0002751000000000, -0.0012298400000000, 0.0006546500000000 ] - [ 0.0001426600000000, -0.0006565400000000, 0.0001449800000000 ] - [ -0.0017977400000000, -0.0020372700000000, -0.0015777200000000 ] - [ 0.0004711400000000, -0.0014096600000000, 0.0001111600000000 ] - [ 0.0005622200000000, 0.0000380000000000, -0.0003514000000000 ] - [ 0.0001400400000000, 0.0006222300000000, 0.0001617000000000 ] - [ 0.0020965400000000, -0.0007621400000000, 0.0018899500000000 ] - [ -0.0001967500000000, -0.0001249500000000, 0.0002032500000000 ] - [ 0.0006828100000000, -0.0022974800000000, 0.0002308200000000 ] - [ 0.0006602100000000, -0.0039873500000000, 0.0002321400000000 ] - [ 0.0006812100000000, -0.0001870900000000, 0.0002352700000000 ] - [ 0.0006798900000000, -0.0000318900000000, 0.0002315900000000 ] - [ -0.0006454000000000, 0.0005870800000000, 0.0013694700000000 ] - [ 0.0005886700000000, 0.0011670100000000, -0.0014416000000000 ] - [ 0.0008605000000000, 0.0006447900000000, -0.0007416500000000 ] - [ 0.0013915200000000, -0.0000410200000000, -0.0008590800000000 ] - [ 0.0025006100000000, 0.0012380700000000, -0.0011443700000000 ] - [ 0.0012780800000000, 0.0018374800000000, 0.0016777700000000 ] - [ 0.0009952600000000, 0.0012968200000000, 0.0009634100000000 ] - [ 0.0004716000000000, 0.0006084900000000, 0.0010842100000000 ] - [ -0.0002283300000000, 0.0013485200000000, 0.0005273200000000 ] - [ -0.0005696500000000, 0.0099919500000000, 0.0003152100000000 ] - [ -0.0002306800000000, 0.0002495200000000, 0.0005266000000000 ] - [ -0.0002292700000000, 0.0002067300000000, 0.0005278600000000 ] - [ -0.0000879200000000, -0.0003959600000000, -0.0004457800000000 ] - [ -0.0000889900000000, -0.0056312800000000, -0.0004761600000000 ] - [ -0.0000853600000000, -0.0002308800000000, -0.0004444800000000 ] - [ -0.0000868800000000, -0.0001839700000000, -0.0004403600000000 ] - [ -0.0005924900000000, -0.0002792700000000, 0.0003573900000000 ] - [ -0.0001191500000000, -0.0002308500000000, -0.0003510100000000 ] - [ -0.0012560300000000, 0.0004637300000000, -0.0009069400000000 ] - [ 0.0010336100000000, 0.0002050600000000, -0.0019850600000000 ] - [ 0.0004552100000000, 0.0009559600000000, -0.0006367800000000 ] - [ -0.0000144800000000, 0.0010096400000000, 0.0000800300000000 ] - [ 0.0011181800000000, 0.0017025600000000, 0.0006237300000000 ] - [ -0.0011567700000000, 0.0014646300000000, 0.0017038200000000 ]- atom: 25 displacement: [ -0.0015728055973509, 0.0000000000000000, 0.0098755396081906 ] forces: - [ -0.0007402200000000, 0.0004917000000000, 0.0022483300000000 ] - [ 0.0003389400000000, 0.0000274100000000, 0.0008005900000000 ] - [ 0.0010328600000000, -0.0094976600000000, 0.0008828600000000 ] - [ -0.0006748600000000, -0.0001453200000000, -0.0004841800000000 ] - [ -0.0007402200000000, -0.0004917000000000, 0.0022483300000000 ] - [ 0.0003389400000000, -0.0000274100000000, 0.0008005900000000 ] - [ 0.0010328600000000, 0.0094976600000000, 0.0008828600000000 ] - [ -0.0006748600000000, 0.0001453200000000, -0.0004841800000000 ] - [ -0.0099027700000000, 0.0000000000000000, 0.0102368100000000 ] - [ 0.0011427400000000, 0.0000000000000000, 0.0002420100000000 ] - [ 0.0018044300000000, 0.0000000000000000, 0.0063167100000000 ] - [ -0.0013662800000000, 0.0000000000000000, 0.0006854200000000 ] - [ -0.0011385500000000, 0.0000000000000000, 0.0002883600000000 ] - [ 0.0010009400000000, 0.0000000000000000, -0.0006097300000000 ] - [ 0.0008840200000000, 0.0000000000000000, 0.0003890800000000 ] - [ -0.0001761100000000, 0.0000000000000000, 0.0007503100000000 ] - [ -0.0020802600000000, -0.0004945100000000, -0.0020485800000000 ] - [ 0.0003736900000000, -0.0002148000000000, -0.0045105600000000 ] - [ 0.0003244100000000, 0.0001123800000000, 0.0009502600000000 ] - [ -0.0001841200000000, 0.0001531500000000, 0.0017402000000000 ] - [ -0.0020802600000000, 0.0004945100000000, -0.0020485800000000 ] - [ 0.0003736900000000, 0.0002148000000000, -0.0045105600000000 ] - [ 0.0003244100000000, -0.0001123800000000, 0.0009502600000000 ] - [ -0.0001841200000000, -0.0001531500000000, 0.0017402000000000 ] - [ 0.0388145400000000, 0.0000000000000000, -0.2409008400000000 ] - [ -0.0003909900000000, 0.0000000000000000, -0.0030213900000000 ] - [ -0.0000597700000000, 0.0000000000000000, 0.0071170600000000 ] - [ 0.0006703900000000, 0.0000000000000000, 0.0024943200000000 ] - [ -0.0010471700000000, 0.0000000000000000, 0.0018842600000000 ] - [ -0.0001977900000000, 0.0000000000000000, 0.0032786900000000 ] - [ 0.0007711500000000, 0.0000000000000000, -0.0038025000000000 ] - [ 0.0006167900000000, 0.0000000000000000, -0.0047079300000000 ] - [ -0.0015299400000000, 0.0000000000000000, 0.0114388000000000 ] - [ -0.0001169800000000, 0.0000000000000000, -0.0000351100000000 ] - [ -0.0349407700000000, 0.0000000000000000, 0.0247006300000000 ] - [ 0.0014437800000000, 0.0000000000000000, -0.0013388600000000 ] - [ 0.0043525400000000, 0.0000000000000000, 0.0026295000000000 ] - [ 0.0008661900000000, 0.0000000000000000, 0.0004715500000000 ] - [ 0.0002807200000000, 0.0000000000000000, 0.0012600800000000 ] - [ 0.0010336400000000, 0.0000000000000000, 0.0003831300000000 ] - [ 0.0066077500000000, 0.0186931000000000, 0.0025958800000000 ] - [ 0.0007618500000000, 0.0010472100000000, -0.0004046300000000 ] - [ -0.0001452000000000, 0.0012298600000000, 0.0038062100000000 ] - [ 0.0005224100000000, 0.0014411100000000, 0.0018684100000000 ] - [ 0.0066077500000000, -0.0186931000000000, 0.0025958800000000 ] - [ 0.0007618500000000, -0.0010472100000000, -0.0004046300000000 ] - [ -0.0001452000000000, -0.0012298600000000, 0.0038062100000000 ] - [ 0.0005224100000000, -0.0014411100000000, 0.0018684100000000 ] - [ -0.0014911000000000, 0.0005185700000000, 0.0013979100000000 ] - [ 0.0005795400000000, -0.0014754200000000, 0.0020495700000000 ] - [ 0.0018242900000000, 0.0026880500000000, -0.0017917300000000 ] - [ -0.0064144700000000, 0.0058697400000000, 0.0035221700000000 ] - [ -0.0014911000000000, -0.0005185700000000, 0.0013979100000000 ] - [ 0.0005795400000000, 0.0014754200000000, 0.0020495700000000 ] - [ 0.0018242900000000, -0.0026880500000000, -0.0017917300000000 ] - [ -0.0064144700000000, -0.0058697400000000, 0.0035221700000000 ] - [ -0.0028214500000000, 0.0000000000000000, -0.0010230900000000 ] - [ 0.0197896800000000, 0.0000000000000000, 0.0110997900000000 ] - [ 0.0009578500000000, 0.0000000000000000, 0.0018970500000000 ] - [ -0.0063086900000000, 0.0000000000000000, 0.0060239500000000 ] - [ -0.0009220200000000, 0.0000000000000000, 0.0001183300000000 ] - [ 0.0035393700000000, 0.0000000000000000, -0.0005777100000000 ] - [ -0.0007327800000000, 0.0000000000000000, 0.0020600000000000 ] - [ -0.0020502600000000, 0.0000000000000000, 0.0035112100000000 ] - [ -0.0061715600000000, -0.0039895500000000, 0.0048363300000000 ] - [ 0.0002807800000000, -0.0006045800000000, 0.0009566700000000 ] - [ 0.0011430600000000, -0.0003685500000000, -0.0018049000000000 ] - [ 0.0001969000000000, -0.0005712400000000, -0.0007093200000000 ] - [ -0.0061715600000000, 0.0039895500000000, 0.0048363300000000 ] - [ 0.0002807800000000, 0.0006045800000000, 0.0009566700000000 ] - [ 0.0011430600000000, 0.0003685500000000, -0.0018049000000000 ] - [ 0.0001969000000000, 0.0005712400000000, -0.0007093200000000 ] - [ -0.0031394900000000, 0.0000000000000000, -0.0121625300000000 ] - [ 0.0008018200000000, 0.0000000000000000, -0.0000024000000000 ] - [ 0.0080962600000000, 0.0000000000000000, -0.0107150600000000 ] - [ -0.0007367900000000, 0.0000000000000000, 0.0005349000000000 ] - [ -0.0005364000000000, 0.0000000000000000, -0.0031943600000000 ] - [ 0.0002477300000000, 0.0000000000000000, -0.0010322100000000 ] - [ 0.0005301300000000, 0.0000000000000000, 0.0000557800000000 ] - [ 0.0000731000000000, 0.0000000000000000, -0.0000308500000000 ] - [ -0.0017053900000000, -0.0029754900000000, -0.0024864900000000 ] - [ -0.0011842100000000, -0.0001902300000000, 0.0004087900000000 ] - [ -0.0006779200000000, -0.0000466400000000, -0.0023529400000000 ] - [ -0.0006376000000000, -0.0004869300000000, -0.0008817900000000 ] - [ -0.0017053900000000, 0.0029754900000000, -0.0024864900000000 ] - [ -0.0011842100000000, 0.0001902300000000, 0.0004087900000000 ] - [ -0.0006779200000000, 0.0000466400000000, -0.0023529400000000 ] - [ -0.0006376000000000, 0.0004869300000000, -0.0008817900000000 ] - [ 0.0019312800000000, 0.0000000000000000, -0.0058751800000000 ] - [ -0.0006282500000000, 0.0000000000000000, -0.0016391700000000 ] - [ -0.0131631700000000, 0.0000000000000000, 0.1232709300000000 ] - [ -0.0008042900000000, 0.0000000000000000, 0.0013771500000000 ] - [ -0.0250552900000000, -0.0252380100000000, 0.0230824200000000 ] - [ -0.0002297900000000, 0.0006457300000000, 0.0010307700000000 ] - [ -0.0001254700000000, 0.0007418700000000, -0.0025733900000000 ] - [ -0.0001680700000000, 0.0007496200000000, -0.0011830400000000 ] - [ -0.0250552900000000, 0.0252380100000000, 0.0230824200000000 ] - [ -0.0002297900000000, -0.0006457300000000, 0.0010307700000000 ] - [ -0.0001254700000000, -0.0007418700000000, -0.0025733900000000 ] - [ -0.0001680700000000, -0.0007496200000000, -0.0011830400000000 ] - [ 0.0006300800000000, -0.0001429700000000, -0.0009221400000000 ] - [ -0.0007723300000000, 0.0009049700000000, -0.0011929800000000 ] - [ -0.0012642400000000, -0.0021208400000000, 0.0014914100000000 ] - [ 0.0025049800000000, -0.0041795900000000, 0.0008019700000000 ] - [ 0.0006300800000000, 0.0001429700000000, -0.0009221400000000 ] - [ -0.0007723300000000, -0.0009049700000000, -0.0011929800000000 ] - [ -0.0012642400000000, 0.0021208400000000, 0.0014914100000000 ] - [ 0.0025049800000000, 0.0041795900000000, 0.0008019700000000 ] - [ 0.0012954100000000, 0.0000000000000000, 0.0022945200000000 ] - [ -0.0024168000000000, 0.0000000000000000, 0.0038857600000000 ] - [ 0.0009968200000000, 0.0000000000000000, -0.0011855000000000 ] - [ 0.0018813300000000, 0.0000000000000000, -0.0023385900000000 ] - [ 0.0026182600000000, 0.0001645200000000, -0.0009696400000000 ] - [ -0.0017605100000000, 0.0020093900000000, -0.0019657900000000 ] - [ -0.0012803000000000, -0.0009421800000000, -0.0004774000000000 ] - [ 0.0035384300000000, -0.0011264500000000, -0.0028904400000000 ] - [ 0.0026182600000000, -0.0001645200000000, -0.0009696400000000 ] - [ -0.0017605100000000, -0.0020093900000000, -0.0019657900000000 ] - [ -0.0012803000000000, 0.0009421800000000, -0.0004774000000000 ] - [ 0.0035384300000000, 0.0011264500000000, -0.0028904400000000 ] - [ 0.0013686900000000, 0.0000000000000000, 0.0021163800000000 ] - [ 0.0294504900000000, 0.0000000000000000, 0.0348550600000000 ] - [ -0.0009835500000000, 0.0000000000000000, -0.0014602300000000 ] - [ 0.0003028700000000, 0.0000000000000000, -0.0051254400000000 ] - [ 0.0002254400000000, 0.0000000000000000, 0.0000525700000000 ] - [ -0.0018039000000000, 0.0000000000000000, 0.0008634500000000 ] - [ -0.0001257200000000, 0.0000000000000000, -0.0013503500000000 ] - [ 0.0006649900000000, 0.0000000000000000, -0.0024997500000000 ] - [ 0.0005114000000000, -0.0007650900000000, -0.0012345200000000 ] - [ -0.0011204700000000, 0.0013219300000000, -0.0038555100000000 ] - [ -0.0011293000000000, -0.0006195500000000, 0.0009503900000000 ] - [ 0.0123258000000000, -0.0076822200000000, -0.0026585500000000 ] - [ 0.0005114000000000, 0.0007650900000000, -0.0012345200000000 ] - [ -0.0011204700000000, -0.0013219300000000, -0.0038555100000000 ] - [ -0.0011293000000000, 0.0006195500000000, 0.0009503900000000 ] - [ 0.0123258000000000, 0.0076822200000000, -0.0026585500000000 ]- atom: 25 displacement: [ 0.0015728055973509, 0.0000000000000000, -0.0098755396081906 ] forces: - [ 0.0005648000000000, -0.0005877200000000, -0.0018738300000000 ] - [ -0.0005092700000000, -0.0001339300000000, -0.0004272800000000 ] - [ -0.0012122800000000, 0.0094431800000000, -0.0005075700000000 ] - [ 0.0005061900000000, 0.0000377900000000, 0.0008607700000000 ] - [ 0.0005648000000000, 0.0005877200000000, -0.0018738300000000 ] - [ -0.0005092700000000, 0.0001339300000000, -0.0004272800000000 ] - [ -0.0012122800000000, -0.0094431800000000, -0.0005075700000000 ] - [ 0.0005061900000000, -0.0000377900000000, 0.0008607700000000 ] - [ 0.0090994200000000, 0.0000000000000000, -0.0097864800000000 ] - [ -0.0017914700000000, 0.0000000000000000, 0.0000856800000000 ] - [ -0.0024440500000000, 0.0000000000000000, -0.0059907200000000 ] - [ 0.0007232900000000, 0.0000000000000000, -0.0003483800000000 ] - [ 0.0017894300000000, 0.0000000000000000, -0.0006324700000000 ] - [ -0.0003564800000000, 0.0000000000000000, 0.0002688800000000 ] - [ -0.0002403100000000, 0.0000000000000000, -0.0007226500000000 ] - [ 0.0008233200000000, 0.0000000000000000, -0.0010860300000000 ] - [ 0.0022670100000000, 0.0003907600000000, 0.0016701600000000 ] - [ -0.0002294800000000, 0.0001226400000000, 0.0041418800000000 ] - [ -0.0001542900000000, -0.0002203800000000, -0.0013251200000000 ] - [ 0.0003570600000000, -0.0002622300000000, -0.0021113400000000 ] - [ 0.0022670100000000, -0.0003907600000000, 0.0016701600000000 ] - [ -0.0002294800000000, -0.0001226400000000, 0.0041418800000000 ] - [ -0.0001542900000000, 0.0002203800000000, -0.0013251200000000 ] - [ 0.0003570600000000, 0.0002622300000000, -0.0021113400000000 ] - [ -0.0390395600000000, 0.0000000000000000, 0.2504971200000000 ] - [ 0.0009409100000000, 0.0000000000000000, 0.0031922700000000 ] - [ 0.0006034200000000, 0.0000000000000000, -0.0069280000000000 ] - [ -0.0001195200000000, 0.0000000000000000, -0.0023210400000000 ] - [ 0.0004914100000000, 0.0000000000000000, -0.0020554500000000 ] - [ -0.0003561000000000, 0.0000000000000000, -0.0034519100000000 ] - [ -0.0013171500000000, 0.0000000000000000, 0.0036501600000000 ] - [ -0.0011765000000000, 0.0000000000000000, 0.0045622500000000 ] - [ 0.0023329300000000, 0.0000000000000000, -0.0129745000000000 ] - [ 0.0009305200000000, 0.0000000000000000, -0.0016502800000000 ] - [ 0.0357852500000000, 0.0000000000000000, -0.0267751800000000 ] - [ -0.0006243600000000, 0.0000000000000000, -0.0003366500000000 ] - [ -0.0023385700000000, 0.0000000000000000, -0.0022136100000000 ] - [ 0.0011523400000000, 0.0000000000000000, -0.0000447300000000 ] - [ 0.0017374500000000, 0.0000000000000000, -0.0008217900000000 ] - [ 0.0009858900000000, 0.0000000000000000, 0.0000559100000000 ] - [ -0.0052753000000000, -0.0162838800000000, -0.0014906400000000 ] - [ 0.0005989200000000, 0.0013735100000000, 0.0016094900000000 ] - [ 0.0015056900000000, 0.0011944800000000, -0.0025937200000000 ] - [ 0.0008386100000000, 0.0009825500000000, -0.0006577000000000 ] - [ -0.0052753000000000, 0.0162838800000000, -0.0014906400000000 ] - [ 0.0005989200000000, -0.0013735100000000, 0.0016094900000000 ] - [ 0.0015056900000000, -0.0011944800000000, -0.0025937200000000 ] - [ 0.0008386100000000, -0.0009825500000000, -0.0006577000000000 ] - [ 0.0001294100000000, 0.0019025100000000, -0.0026086300000000 ] - [ -0.0019112000000000, 0.0038770400000000, -0.0032734800000000 ] - [ -0.0031880500000000, -0.0002683200000000, 0.0005961600000000 ] - [ 0.0050765700000000, -0.0034630200000000, -0.0047531800000000 ] - [ 0.0001294100000000, -0.0019025100000000, -0.0026086300000000 ] - [ -0.0019112000000000, -0.0038770400000000, -0.0032734800000000 ] - [ -0.0031880500000000, 0.0002683200000000, 0.0005961600000000 ] - [ 0.0050765700000000, 0.0034630200000000, -0.0047531800000000 ] - [ 0.0007987400000000, 0.0000000000000000, 0.0005790800000000 ] - [ -0.0215095300000000, 0.0000000000000000, -0.0116274600000000 ] - [ -0.0029779600000000, 0.0000000000000000, -0.0023268700000000 ] - [ 0.0042764600000000, 0.0000000000000000, -0.0064570000000000 ] - [ 0.0001156300000000, 0.0000000000000000, 0.0015562600000000 ] - [ -0.0043909600000000, 0.0000000000000000, 0.0022407100000000 ] - [ -0.0000823000000000, 0.0000000000000000, -0.0003767300000000 ] - [ 0.0012386400000000, 0.0000000000000000, -0.0018298500000000 ] - [ 0.0063279800000000, 0.0027773800000000, -0.0045533800000000 ] - [ -0.0001461400000000, -0.0006329200000000, -0.0006683100000000 ] - [ -0.0010055700000000, -0.0008714600000000, 0.0020920900000000 ] - [ -0.0000590000000000, -0.0006664000000000, 0.0009960700000000 ] - [ 0.0063279800000000, -0.0027773800000000, -0.0045533800000000 ] - [ -0.0001461400000000, 0.0006329200000000, -0.0006683100000000 ] - [ -0.0010055700000000, 0.0008714600000000, 0.0020920900000000 ] - [ -0.0000590000000000, 0.0006664000000000, 0.0009960700000000 ] - [ 0.0032222500000000, 0.0000000000000000, 0.0129387400000000 ] - [ -0.0006256900000000, 0.0000000000000000, 0.0009039900000000 ] - [ -0.0078384700000000, 0.0000000000000000, 0.0115513800000000 ] - [ 0.0009133500000000, 0.0000000000000000, 0.0003543300000000 ] - [ 0.0009975300000000, 0.0000000000000000, 0.0021668800000000 ] - [ 0.0002098000000000, 0.0000000000000000, -0.0000175100000000 ] - [ -0.0000809400000000, 0.0000000000000000, -0.0011169500000000 ] - [ 0.0003795300000000, 0.0000000000000000, -0.0010283200000000 ] - [ -0.0001380100000000, 0.0023363400000000, 0.0023208900000000 ] - [ -0.0006738300000000, -0.0004647200000000, -0.0006265400000000 ] - [ -0.0011791500000000, -0.0006104900000000, 0.0021297400000000 ] - [ -0.0012219900000000, -0.0001694300000000, 0.0006571100000000 ] - [ -0.0001380100000000, -0.0023363400000000, 0.0023208900000000 ] - [ -0.0006738300000000, 0.0004647200000000, -0.0006265400000000 ] - [ -0.0011791500000000, 0.0006104900000000, 0.0021297400000000 ] - [ -0.0012219900000000, 0.0001694300000000, 0.0006571100000000 ] - [ -0.0032843300000000, 0.0000000000000000, 0.0053695800000000 ] - [ -0.0007421200000000, 0.0000000000000000, 0.0011685900000000 ] - [ 0.0130418700000000, 0.0000000000000000, -0.1321003500000000 ] - [ -0.0005666600000000, 0.0000000000000000, -0.0018558900000000 ] - [ 0.0243908100000000, 0.0259136300000000, -0.0235296300000000 ] - [ -0.0000586500000000, 0.0006223800000000, -0.0013304600000000 ] - [ -0.0001644200000000, 0.0005342400000000, 0.0022687800000000 ] - [ -0.0001236400000000, 0.0005231200000000, 0.0008805600000000 ] - [ 0.0243908100000000, -0.0259136300000000, -0.0235296300000000 ] - [ -0.0000586500000000, -0.0006223800000000, -0.0013304600000000 ] - [ -0.0001644200000000, -0.0005342400000000, 0.0022687800000000 ] - [ -0.0001236400000000, -0.0005231200000000, 0.0008805600000000 ] - [ -0.0003397000000000, -0.0011277800000000, 0.0012267000000000 ] - [ 0.0010556500000000, -0.0021719600000000, 0.0014998700000000 ] - [ 0.0015552200000000, 0.0008481500000000, -0.0011986300000000 ] - [ -0.0022206600000000, 0.0029216600000000, -0.0005073800000000 ] - [ -0.0003397000000000, 0.0011277800000000, 0.0012267000000000 ] - [ 0.0010556500000000, 0.0021719600000000, 0.0014998700000000 ] - [ 0.0015552200000000, -0.0008481500000000, -0.0011986300000000 ] - [ -0.0022206600000000, -0.0029216600000000, -0.0005073800000000 ] - [ 0.0000612200000000, 0.0000000000000000, -0.0018271400000000 ] - [ 0.0038033800000000, 0.0000000000000000, -0.0034208400000000 ] - [ 0.0003740200000000, 0.0000000000000000, 0.0016558600000000 ] - [ -0.0005140500000000, 0.0000000000000000, 0.0028100200000000 ] - [ -0.0007558900000000, -0.0008153400000000, 0.0011962400000000 ] - [ 0.0035939000000000, -0.0026667200000000, 0.0022329300000000 ] - [ 0.0031417200000000, 0.0002924400000000, 0.0006916200000000 ] - [ -0.0016815700000000, 0.0004684200000000, 0.0031185900000000 ] - [ -0.0007558900000000, 0.0008153400000000, 0.0011962400000000 ] - [ 0.0035939000000000, 0.0026667200000000, 0.0022329300000000 ] - [ 0.0031417200000000, -0.0002924400000000, 0.0006916200000000 ] - [ -0.0016815700000000, -0.0004684200000000, 0.0031185900000000 ] - [ -0.0018210900000000, 0.0000000000000000, -0.0010597000000000 ] - [ -0.0295587700000000, 0.0000000000000000, -0.0340566300000000 ] - [ 0.0005331800000000, 0.0000000000000000, 0.0025073200000000 ] - [ -0.0007507400000000, 0.0000000000000000, 0.0061608000000000 ] - [ -0.0004025100000000, 0.0000000000000000, -0.0009425000000000 ] - [ 0.0016360900000000, 0.0000000000000000, -0.0017445800000000 ] - [ -0.0000489100000000, 0.0000000000000000, 0.0004509700000000 ] - [ -0.0008409800000000, 0.0000000000000000, 0.0016021400000000 ] - [ -0.0006491300000000, -0.0004719200000000, 0.0009487100000000 ] - [ 0.0009521900000000, -0.0025287400000000, 0.0035460800000000 ] - [ 0.0009878700000000, -0.0006173500000000, -0.0012459200000000 ] - [ -0.0125309900000000, 0.0064756000000000, 0.0023979200000000 ] - [ -0.0006491300000000, 0.0004719200000000, 0.0009487100000000 ] - [ 0.0009521900000000, 0.0025287400000000, 0.0035460800000000 ] - [ 0.0009878700000000, 0.0006173500000000, -0.0012459200000000 ] - [ -0.0125309900000000, -0.0064756000000000, 0.0023979200000000 ]- atom: 33 displacement: [ 0.0099999999923824, 0.0000000000000000, -0.0000003903221875 ] forces: - [ -0.0034008700000000, -0.0092324200000000, 0.0010543900000000 ] - [ 0.0024054400000000, -0.0000636900000000, 0.0004475200000000 ] - [ -0.0000999100000000, -0.0000689800000000, -0.0006249500000000 ] - [ -0.0000471200000000, -0.0001057400000000, 0.0001440800000000 ] - [ -0.0034008700000000, 0.0092324200000000, 0.0010543900000000 ] - [ 0.0024054400000000, 0.0000636900000000, 0.0004475200000000 ] - [ -0.0000999100000000, 0.0000689800000000, -0.0006249500000000 ] - [ -0.0000471200000000, 0.0001057400000000, 0.0001440800000000 ] - [ 0.0036069300000000, 0.0000000000000000, 0.0102455900000000 ] - [ 0.0025263200000000, 0.0000000000000000, -0.0008738900000000 ] - [ 0.0004576200000000, 0.0000000000000000, -0.0016513300000000 ] - [ -0.0007260400000000, 0.0000000000000000, 0.0006856600000000 ] - [ -0.0001490100000000, 0.0000000000000000, 0.0005220100000000 ] - [ 0.0014789600000000, 0.0000000000000000, -0.0018337400000000 ] - [ 0.0010460600000000, 0.0000000000000000, -0.0006428200000000 ] - [ 0.0000404400000000, 0.0000000000000000, 0.0005008100000000 ] - [ 0.0000669600000000, 0.0001568800000000, 0.0002107200000000 ] - [ 0.0002157500000000, -0.0002791300000000, -0.0019638800000000 ] - [ 0.0020698100000000, 0.0004362700000000, -0.0005027100000000 ] - [ -0.0013931100000000, -0.0005753600000000, 0.0045510300000000 ] - [ 0.0000669600000000, -0.0001568800000000, 0.0002107200000000 ] - [ 0.0002157500000000, 0.0002791300000000, -0.0019638800000000 ] - [ 0.0020698100000000, -0.0004362700000000, -0.0005027100000000 ] - [ -0.0013931100000000, 0.0005753600000000, 0.0045510300000000 ] - [ -0.0013343300000000, 0.0000000000000000, -0.0021019100000000 ] - [ 0.0019226900000000, 0.0000000000000000, -0.0001812700000000 ] - [ -0.0002173400000000, 0.0000000000000000, -0.0356671000000000 ] - [ 0.0037186800000000, 0.0000000000000000, 0.0016805800000000 ] - [ 0.0027494400000000, 0.0000000000000000, -0.0001254900000000 ] - [ -0.0043120600000000, 0.0000000000000000, 0.0032788700000000 ] - [ 0.0002835100000000, 0.0000000000000000, -0.0003230500000000 ] - [ -0.0007261200000000, 0.0000000000000000, -0.0018163300000000 ] - [ -0.3229925500000000, 0.0000000000000000, 0.0360617300000000 ] - [ 0.0049049100000000, 0.0000000000000000, -0.0011821000000000 ] - [ 0.0004440800000000, 0.0000000000000000, -0.0030293700000000 ] - [ 0.0009140300000000, 0.0000000000000000, -0.0007263400000000 ] - [ -0.0024674300000000, 0.0000000000000000, -0.0032169000000000 ] - [ 0.0028987400000000, 0.0000000000000000, 0.0011087100000000 ] - [ -0.0016020300000000, 0.0000000000000000, -0.0013981400000000 ] - [ 0.0020139500000000, 0.0000000000000000, 0.0006144800000000 ] - [ -0.0003477900000000, 0.0007878000000000, 0.0007736800000000 ] - [ 0.0016367800000000, 0.0012909800000000, -0.0001879600000000 ] - [ -0.0043136900000000, -0.0063343500000000, -0.0011998300000000 ] - [ 0.0018506400000000, 0.0026084900000000, 0.0014202400000000 ] - [ -0.0003477900000000, -0.0007878000000000, 0.0007736800000000 ] - [ 0.0016367800000000, -0.0012909800000000, -0.0001879600000000 ] - [ -0.0043136900000000, 0.0063343500000000, -0.0011998300000000 ] - [ 0.0018506400000000, -0.0026084900000000, 0.0014202400000000 ] - [ 0.0021923600000000, 0.0017389300000000, -0.0004854200000000 ] - [ 0.0249880700000000, -0.0205620100000000, -0.0136544700000000 ] - [ -0.0003311400000000, 0.0014768100000000, -0.0013258400000000 ] - [ -0.0007641300000000, 0.0017043200000000, -0.0014726300000000 ] - [ 0.0021923600000000, -0.0017389300000000, -0.0004854200000000 ] - [ 0.0249880700000000, 0.0205620100000000, -0.0136544700000000 ] - [ -0.0003311400000000, -0.0014768100000000, -0.0013258400000000 ] - [ -0.0007641300000000, -0.0017043200000000, -0.0014726300000000 ] - [ 0.0019515500000000, 0.0000000000000000, 0.0014187000000000 ] - [ -0.0120277900000000, 0.0000000000000000, -0.0261356600000000 ] - [ 0.0000999000000000, 0.0000000000000000, 0.0000659400000000 ] - [ -0.0013825900000000, 0.0000000000000000, -0.0044166500000000 ] - [ 0.0002404600000000, 0.0000000000000000, 0.0012658700000000 ] - [ -0.0007676500000000, 0.0000000000000000, -0.0016705600000000 ] - [ 0.0021208100000000, 0.0000000000000000, 0.0007703200000000 ] - [ -0.0075155500000000, 0.0000000000000000, 0.0025052600000000 ] - [ 0.0009422900000000, -0.0002222700000000, 0.0007349800000000 ] - [ -0.0006870500000000, -0.0009169100000000, 0.0004329800000000 ] - [ 0.0050390300000000, 0.0023827800000000, -0.0009735700000000 ] - [ -0.0014573700000000, -0.0011972000000000, -0.0000524200000000 ] - [ 0.0009422900000000, 0.0002222700000000, 0.0007349800000000 ] - [ -0.0006870500000000, 0.0009169100000000, 0.0004329800000000 ] - [ 0.0050390300000000, -0.0023827800000000, -0.0009735700000000 ] - [ -0.0014573700000000, 0.0011972000000000, -0.0000524200000000 ] - [ 0.0599796700000000, 0.0000000000000000, 0.0154013600000000 ] - [ -0.0022387500000000, 0.0000000000000000, 0.0004414900000000 ] - [ 0.0006875200000000, 0.0000000000000000, 0.0025054000000000 ] - [ -0.0006311000000000, 0.0000000000000000, 0.0003856100000000 ] - [ 0.0044557500000000, 0.0000000000000000, 0.0011631700000000 ] - [ -0.0020089500000000, 0.0000000000000000, -0.0013847100000000 ] - [ 0.0011245600000000, 0.0000000000000000, 0.0012399700000000 ] - [ -0.0001721100000000, 0.0000000000000000, -0.0008119700000000 ] - [ 0.0008281900000000, 0.0008902300000000, 0.0001991100000000 ] - [ -0.0022992700000000, -0.0005135200000000, 0.0002443200000000 ] - [ 0.0003730900000000, 0.0022615800000000, 0.0021752800000000 ] - [ -0.0013059900000000, -0.0008455000000000, -0.0007953000000000 ] - [ 0.0008281900000000, -0.0008902300000000, 0.0001991100000000 ] - [ -0.0022992700000000, 0.0005135200000000, 0.0002443200000000 ] - [ 0.0003730900000000, -0.0022615800000000, 0.0021752800000000 ] - [ -0.0013059900000000, 0.0008455000000000, -0.0007953000000000 ] - [ 0.1228979400000000, 0.0000000000000000, -0.0269889800000000 ] - [ -0.0044051900000000, 0.0000000000000000, -0.0002053600000000 ] - [ -0.0007675200000000, 0.0000000000000000, 0.0011434900000000 ] - [ -0.0011097500000000, 0.0000000000000000, 0.0000027100000000 ] - [ 0.0010594500000000, 0.0006598400000000, -0.0000036200000000 ] - [ -0.0011777100000000, 0.0005453700000000, 0.0004437200000000 ] - [ -0.0019376600000000, -0.0075508000000000, 0.0077209400000000 ] - [ -0.0018433000000000, 0.0011427400000000, -0.0015165500000000 ] - [ 0.0010594500000000, -0.0006598400000000, -0.0000036200000000 ] - [ -0.0011777100000000, -0.0005453700000000, 0.0004437200000000 ] - [ -0.0019376600000000, 0.0075508000000000, 0.0077209400000000 ] - [ -0.0018433000000000, -0.0011427400000000, -0.0015165500000000 ] - [ -0.0017100000000000, -0.0019081000000000, -0.0003017700000000 ] - [ -0.0070182000000000, 0.0056555100000000, -0.0005162900000000 ] - [ -0.0000869600000000, -0.0008180400000000, 0.0005043400000000 ] - [ 0.0004285200000000, -0.0010320300000000, 0.0006646500000000 ] - [ -0.0017100000000000, 0.0019081000000000, -0.0003017700000000 ] - [ -0.0070182000000000, -0.0056555100000000, -0.0005162900000000 ] - [ -0.0000869600000000, 0.0008180400000000, 0.0005043400000000 ] - [ 0.0004285200000000, 0.0010320300000000, 0.0006646500000000 ] - [ 0.0003960500000000, 0.0000000000000000, 0.0002802600000000 ] - [ 0.0004891000000000, 0.0000000000000000, 0.0018013800000000 ] - [ -0.0012688100000000, 0.0000000000000000, 0.0007156800000000 ] - [ 0.0047308100000000, 0.0000000000000000, -0.0036262800000000 ] - [ -0.0013164300000000, -0.0004389200000000, -0.0010865500000000 ] - [ 0.0009494800000000, -0.0024961200000000, 0.0106082300000000 ] - [ 0.0001141200000000, -0.0003651000000000, 0.0006085800000000 ] - [ 0.0017855500000000, -0.0014260000000000, 0.0015298800000000 ] - [ -0.0013164300000000, 0.0004389200000000, -0.0010865500000000 ] - [ 0.0009494800000000, 0.0024961200000000, 0.0106082300000000 ] - [ 0.0001141200000000, 0.0003651000000000, 0.0006085800000000 ] - [ 0.0017855500000000, 0.0014260000000000, 0.0015298800000000 ] - [ -0.0013394600000000, 0.0000000000000000, -0.0007474600000000 ] - [ 0.0041663200000000, 0.0000000000000000, 0.0013312500000000 ] - [ -0.0020409300000000, 0.0000000000000000, 0.0000027900000000 ] - [ 0.0075869700000000, 0.0000000000000000, 0.0079877800000000 ] - [ -0.0012216100000000, 0.0000000000000000, -0.0008170400000000 ] - [ 0.0015716800000000, 0.0000000000000000, 0.0016772900000000 ] - [ -0.0010756300000000, 0.0000000000000000, -0.0004370300000000 ] - [ 0.0023871600000000, 0.0000000000000000, -0.0008722300000000 ] - [ -0.0026874900000000, -0.0000378200000000, -0.0001271300000000 ] - [ 0.0529182500000000, -0.0128388500000000, 0.0045526300000000 ] - [ -0.0004700800000000, -0.0005171000000000, 0.0000684500000000 ] - [ 0.0001353400000000, -0.0008952100000000, 0.0007409700000000 ] - [ -0.0026874900000000, 0.0000378200000000, -0.0001271300000000 ] - [ 0.0529182500000000, 0.0128388500000000, 0.0045526300000000 ] - [ -0.0004700800000000, 0.0005171000000000, 0.0000684500000000 ] - [ 0.0001353400000000, 0.0008952100000000, 0.0007409700000000 ]- atom: 33 displacement: [ -0.0099999999923824, 0.0000000000000000, 0.0000003903221875 ] forces: - [ 0.0032641400000000, 0.0091955700000000, -0.0006943500000000 ] - [ -0.0025875900000000, -0.0000392000000000, -0.0000752200000000 ] - [ -0.0000703000000000, -0.0000391600000000, 0.0010045000000000 ] - [ -0.0001228200000000, -0.0000016300000000, 0.0002288400000000 ] - [ 0.0032641400000000, -0.0091955700000000, -0.0006943500000000 ] - [ -0.0025875900000000, 0.0000392000000000, -0.0000752200000000 ] - [ -0.0000703000000000, 0.0000391600000000, 0.0010045000000000 ] - [ -0.0001228200000000, 0.0000016300000000, 0.0002288400000000 ] - [ -0.0042884900000000, 0.0000000000000000, -0.0100397000000000 ] - [ -0.0031757700000000, 0.0000000000000000, 0.0012052000000000 ] - [ -0.0011081200000000, 0.0000000000000000, 0.0019961400000000 ] - [ 0.0000813700000000, 0.0000000000000000, -0.0003506100000000 ] - [ 0.0008014000000000, 0.0000000000000000, -0.0008628200000000 ] - [ -0.0008378600000000, 0.0000000000000000, 0.0015078100000000 ] - [ -0.0004017700000000, 0.0000000000000000, 0.0003103900000000 ] - [ 0.0006072100000000, 0.0000000000000000, -0.0008387500000000 ] - [ 0.0001060000000000, -0.0002671100000000, -0.0005859200000000 ] - [ -0.0000505800000000, 0.0001751500000000, 0.0015942600000000 ] - [ -0.0019061300000000, -0.0005440800000000, 0.0001301200000000 ] - [ 0.0015694700000000, 0.0004593500000000, -0.0049353800000000 ] - [ 0.0001060000000000, 0.0002671100000000, -0.0005859200000000 ] - [ -0.0000505800000000, -0.0001751500000000, 0.0015942600000000 ] - [ -0.0019061300000000, 0.0005440800000000, 0.0001301200000000 ] - [ 0.0015694700000000, -0.0004593500000000, -0.0049353800000000 ] - [ 0.0019094800000000, 0.0000000000000000, 0.0023273700000000 ] - [ -0.0013858000000000, 0.0000000000000000, 0.0003522700000000 ] - [ 0.0006520600000000, 0.0000000000000000, 0.0360923100000000 ] - [ -0.0031772300000000, 0.0000000000000000, -0.0015132900000000 ] - [ -0.0033188900000000, 0.0000000000000000, -0.0000397400000000 ] - [ 0.0037899000000000, 0.0000000000000000, -0.0034614500000000 ] - [ -0.0008354800000000, 0.0000000000000000, 0.0001602900000000 ] - [ 0.0001729300000000, 0.0000000000000000, 0.0016586900000000 ] - [ 0.3311888700000000, 0.0000000000000000, -0.0444289900000000 ] - [ -0.0041029000000000, 0.0000000000000000, -0.0004943600000000 ] - [ 0.0003640600000000, 0.0000000000000000, 0.0013728800000000 ] - [ -0.0001001800000000, 0.0000000000000000, -0.0009474200000000 ] - [ 0.0044891700000000, 0.0000000000000000, 0.0036601400000000 ] - [ -0.0008946900000000, 0.0000000000000000, -0.0006748200000000 ] - [ 0.0036269600000000, 0.0000000000000000, 0.0018477800000000 ] - [ -0.0000048500000000, 0.0000000000000000, -0.0001747800000000 ] - [ 0.0017122000000000, 0.0016191100000000, 0.0004396700000000 ] - [ -0.0002816900000000, 0.0011282100000000, 0.0013962200000000 ] - [ 0.0056879800000000, 0.0087875100000000, 0.0024204600000000 ] - [ -0.0004960100000000, -0.0001908800000000, -0.0002161500000000 ] - [ 0.0017122000000000, -0.0016191100000000, 0.0004396700000000 ] - [ -0.0002816900000000, -0.0011282100000000, 0.0013962200000000 ] - [ 0.0056879800000000, -0.0087875100000000, 0.0024204600000000 ] - [ -0.0004960100000000, 0.0001908800000000, -0.0002161500000000 ] - [ -0.0035623400000000, 0.0006798000000000, -0.0007120000000000 ] - [ -0.0263240000000000, 0.0226482700000000, 0.0125246200000000 ] - [ -0.0010271100000000, 0.0009399500000000, 0.0001242700000000 ] - [ -0.0005985300000000, 0.0007122700000000, 0.0002767700000000 ] - [ -0.0035623400000000, -0.0006798000000000, -0.0007120000000000 ] - [ -0.0263240000000000, -0.0226482700000000, 0.0125246200000000 ] - [ -0.0010271100000000, -0.0009399500000000, 0.0001242700000000 ] - [ -0.0005985300000000, -0.0007122700000000, 0.0002767700000000 ] - [ -0.0039813300000000, 0.0000000000000000, -0.0018689700000000 ] - [ 0.0098036900000000, 0.0000000000000000, 0.0256488300000000 ] - [ -0.0021152000000000, 0.0000000000000000, -0.0005019800000000 ] - [ -0.0006370100000000, 0.0000000000000000, 0.0040225900000000 ] - [ -0.0010540700000000, 0.0000000000000000, 0.0004051700000000 ] - [ -0.0000529600000000, 0.0000000000000000, 0.0033560500000000 ] - [ -0.0029450400000000, 0.0000000000000000, 0.0009061400000000 ] - [ 0.0067421500000000, 0.0000000000000000, -0.0008365200000000 ] - [ -0.0008032000000000, -0.0010116500000000, -0.0004615600000000 ] - [ 0.0008264800000000, -0.0003176600000000, -0.0001533000000000 ] - [ -0.0049241200000000, -0.0036329600000000, 0.0012543300000000 ] - [ 0.0016036800000000, -0.0000366900000000, 0.0003313000000000 ] - [ -0.0008032000000000, 0.0010116500000000, -0.0004615600000000 ] - [ 0.0008264800000000, 0.0003176600000000, -0.0001533000000000 ] - [ -0.0049241200000000, 0.0036329600000000, 0.0012543300000000 ] - [ 0.0016036800000000, 0.0000366900000000, 0.0003313000000000 ] - [ -0.0598699000000000, 0.0000000000000000, -0.0135468700000000 ] - [ 0.0024274100000000, 0.0000000000000000, 0.0004542000000000 ] - [ -0.0005084400000000, 0.0000000000000000, -0.0016313300000000 ] - [ 0.0008102200000000, 0.0000000000000000, 0.0005077500000000 ] - [ -0.0040251200000000, 0.0000000000000000, -0.0022056500000000 ] - [ 0.0024768600000000, 0.0000000000000000, 0.0003407100000000 ] - [ -0.0006740600000000, 0.0000000000000000, -0.0023011700000000 ] - [ 0.0006317900000000, 0.0000000000000000, -0.0002343400000000 ] - [ -0.0027013700000000, -0.0015379100000000, -0.0004160300000000 ] - [ 0.0004488100000000, -0.0001363300000000, -0.0004655100000000 ] - [ -0.0022358800000000, -0.0029200800000000, -0.0024063900000000 ] - [ -0.0005519600000000, 0.0001980700000000, 0.0005781200000000 ] - [ -0.0027013700000000, 0.0015379100000000, -0.0004160300000000 ] - [ 0.0004488100000000, 0.0001363300000000, -0.0004655100000000 ] - [ -0.0022358800000000, 0.0029200800000000, -0.0024063900000000 ] - [ -0.0005519600000000, -0.0001980700000000, 0.0005781200000000 ] - [ -0.1338395800000000, 0.0000000000000000, 0.0310004800000000 ] - [ 0.0030443700000000, 0.0000000000000000, -0.0002551100000000 ] - [ -0.0005969000000000, 0.0000000000000000, -0.0016187600000000 ] - [ -0.0002609900000000, 0.0000000000000000, -0.0004637700000000 ] - [ -0.0013620200000000, 0.0006097400000000, -0.0003113900000000 ] - [ 0.0009000100000000, 0.0007296000000000, -0.0007520100000000 ] - [ 0.0016536500000000, 0.0088286600000000, -0.0080407800000000 ] - [ 0.0015640500000000, 0.0001353300000000, 0.0012137000000000 ] - [ -0.0013620200000000, -0.0006097400000000, -0.0003113900000000 ] - [ 0.0009000100000000, -0.0007296000000000, -0.0007520100000000 ] - [ 0.0016536500000000, -0.0088286600000000, -0.0080407800000000 ] - [ 0.0015640500000000, -0.0001353300000000, 0.0012137000000000 ] - [ 0.0020073400000000, 0.0006430200000000, 0.0006104800000000 ] - [ 0.0073952700000000, -0.0070077700000000, 0.0007711200000000 ] - [ 0.0003714100000000, -0.0004584700000000, -0.0002015500000000 ] - [ -0.0001411300000000, -0.0002377500000000, -0.0003638000000000 ] - [ 0.0020073400000000, -0.0006430200000000, 0.0006104800000000 ] - [ 0.0073952700000000, 0.0070077700000000, 0.0007711200000000 ] - [ 0.0003714100000000, 0.0004584700000000, -0.0002015500000000 ] - [ -0.0001411300000000, 0.0002377500000000, -0.0003638000000000 ] - [ 0.0009682700000000, 0.0000000000000000, 0.0001791700000000 ] - [ 0.0008884500000000, 0.0000000000000000, -0.0013469200000000 ] - [ 0.0026478200000000, 0.0000000000000000, -0.0002559600000000 ] - [ -0.0033860400000000, 0.0000000000000000, 0.0041129900000000 ] - [ 0.0031889400000000, -0.0002039600000000, 0.0013124100000000 ] - [ 0.0009910400000000, 0.0018370100000000, -0.0104089200000000 ] - [ 0.0017489300000000, -0.0002816800000000, -0.0003947800000000 ] - [ 0.0000704200000000, 0.0007858500000000, -0.0013251100000000 ] - [ 0.0031889400000000, 0.0002039600000000, 0.0013124100000000 ] - [ 0.0009910400000000, -0.0018370100000000, -0.0104089200000000 ] - [ 0.0017489300000000, 0.0002816800000000, -0.0003947800000000 ] - [ 0.0000704200000000, -0.0007858500000000, -0.0013251100000000 ] - [ 0.0008886200000000, 0.0000000000000000, 0.0017997200000000 ] - [ -0.0045642200000000, 0.0000000000000000, -0.0003775700000000 ] - [ 0.0015904800000000, 0.0000000000000000, 0.0010378700000000 ] - [ -0.0080714700000000, 0.0000000000000000, -0.0070138100000000 ] - [ 0.0010486300000000, 0.0000000000000000, -0.0000730900000000 ] - [ -0.0017529600000000, 0.0000000000000000, -0.0025799100000000 ] - [ 0.0009043300000000, 0.0000000000000000, -0.0004587800000000 ] - [ -0.0025769800000000, 0.0000000000000000, -0.0000224800000000 ] - [ 0.0025596700000000, -0.0011991800000000, -0.0001531100000000 ] - [ -0.0519907000000000, 0.0098493700000000, -0.0041785600000000 ] - [ 0.0003307700000000, -0.0007160200000000, -0.0003492800000000 ] - [ -0.0002689100000000, -0.0003413600000000, -0.0010317200000000 ] - [ 0.0025596700000000, 0.0011991800000000, -0.0001531100000000 ] - [ -0.0519907000000000, -0.0098493700000000, -0.0041785600000000 ] - [ 0.0003307700000000, 0.0007160200000000, -0.0003492800000000 ] - [ -0.0002689100000000, 0.0003413600000000, -0.0010317200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0088060600000000, 0.0072033600000000, 0.0013823100000000 ] - [ 0.0017287500000000, 0.0001468100000000, 0.0003343800000000 ] - [ -0.0001122600000000, -0.0000611000000000, 0.0001561200000000 ] - [ -0.0000510800000000, -0.0000412400000000, 0.0001992200000000 ] - [ 0.0085254700000000, 0.0072273500000000, -0.0009877000000000 ] - [ -0.0018948800000000, 0.0002544300000000, 0.0000375700000000 ] - [ -0.0000573800000000, 0.0000494600000000, 0.0002132000000000 ] - [ -0.0001184500000000, 0.0000685100000000, 0.0001713000000000 ] - [ -0.0003126400000000, -0.0022626200000000, 0.0001812000000000 ] - [ -0.0003174200000000, -0.0021363100000000, 0.0001669300000000 ] - [ -0.0003216300000000, -0.0000227800000000, 0.0001655000000000 ] - [ -0.0003236300000000, -0.0004271300000000, 0.0001680400000000 ] - [ 0.0003193900000000, 0.0004454500000000, -0.0001684400000000 ] - [ 0.0003260500000000, 0.0025367000000000, -0.0001685300000000 ] - [ 0.0003235400000000, 0.0000623400000000, -0.0001682400000000 ] - [ 0.0003230400000000, 0.0003476200000000, -0.0001671400000000 ] - [ 0.0001267300000000, -0.0000815400000000, -0.0001194000000000 ] - [ 0.0000304500000000, 0.0000357700000000, 0.0010616700000000 ] - [ 0.0000070300000000, -0.0001028000000000, -0.0002130100000000 ] - [ -0.0008747000000000, 0.0009978800000000, -0.0060517900000000 ] - [ 0.0000419700000000, 0.0000281900000000, -0.0002510300000000 ] - [ 0.0001392600000000, 0.0001439900000000, -0.0014406300000000 ] - [ 0.0001674700000000, 0.0000046300000000, -0.0001583700000000 ] - [ 0.0010495000000000, 0.0011103500000000, 0.0057060600000000 ] - [ 0.0002815900000000, -0.0000584600000000, 0.0000990300000000 ] - [ 0.0002806300000000, -0.0007213400000000, 0.0000860400000000 ] - [ 0.0002790300000000, -0.0025146700000000, 0.0000463200000000 ] - [ 0.0002866000000000, -0.0023870400000000, 0.0000831500000000 ] - [ -0.0002788600000000, 0.0005732000000000, -0.0000815600000000 ] - [ -0.0002674900000000, 0.0204433100000000, -0.0000688500000000 ] - [ -0.0002799500000000, 0.0000758400000000, -0.0000843800000000 ] - [ -0.0002766800000000, 0.0002735000000000, -0.0000886200000000 ] - [ -0.0038487400000000, -0.2583261000000000, -0.0032091500000000 ] - [ 0.0004115000000000, -0.0002398300000000, -0.0008402100000000 ] - [ 0.0004070800000000, -0.0003228200000000, -0.0008410000000000 ] - [ 0.0004081000000000, -0.0000502500000000, -0.0008399400000000 ] - [ 0.0010083900000000, 0.0038162100000000, 0.0002033000000000 ] - [ 0.0010086500000000, 0.0011791800000000, 0.0002178200000000 ] - [ 0.0010045200000000, 0.0005895000000000, 0.0002165800000000 ] - [ 0.0010091900000000, 0.0007041300000000, 0.0002167600000000 ] - [ 0.0005852800000000, 0.0003234400000000, -0.0011595100000000 ] - [ 0.0010510500000000, 0.0012810600000000, 0.0001472500000000 ] - [ -0.0013219400000000, -0.0002682800000000, 0.0019163600000000 ] - [ 0.0013180800000000, 0.0023876300000000, 0.0013227100000000 ] - [ 0.0007730400000000, -0.0020750400000000, 0.0023418900000000 ] - [ 0.0003117300000000, -0.0011426000000000, 0.0010613300000000 ] - [ 0.0026537100000000, -0.0026590600000000, -0.0007025900000000 ] - [ 0.0000441600000000, -0.0000376700000000, -0.0001124800000000 ] - [ -0.0006229600000000, 0.0009093600000000, -0.0006841500000000 ] - [ -0.0374259700000000, 0.0267414300000000, 0.0280179900000000 ] - [ -0.0006884100000000, 0.0011986300000000, -0.0006073300000000 ] - [ -0.0006843600000000, 0.0013576700000000, -0.0007943700000000 ] - [ -0.0007346700000000, -0.0015245200000000, -0.0005242000000000 ] - [ 0.0364026900000000, 0.0246363500000000, -0.0291958000000000 ] - [ -0.0006717600000000, -0.0012257100000000, -0.0006036700000000 ] - [ -0.0006776900000000, -0.0010686000000000, -0.0004154300000000 ] - [ -0.0010060600000000, -0.0003883800000000, -0.0002153600000000 ] - [ -0.0010707500000000, -0.0151476800000000, -0.0001893800000000 ] - [ -0.0010072400000000, -0.0001020100000000, -0.0002166500000000 ] - [ -0.0010091400000000, -0.0001939400000000, -0.0002257600000000 ] - [ -0.0004075700000000, 0.0003962200000000, 0.0008400600000000 ] - [ -0.0004067000000000, 0.0010547200000000, 0.0008319500000000 ] - [ -0.0004063500000000, 0.0009927700000000, 0.0008404800000000 ] - [ -0.0004067700000000, 0.0034488600000000, 0.0008434300000000 ] - [ -0.0002496500000000, -0.0010134100000000, 0.0005203400000000 ] - [ -0.0002162900000000, -0.0008720600000000, 0.0003460600000000 ] - [ 0.0015636100000000, -0.0024630700000000, -0.0019554900000000 ] - [ -0.0005119500000000, -0.0012693400000000, -0.0000074900000000 ] - [ 0.0003871800000000, 0.0002165500000000, -0.0002256200000000 ] - [ 0.0003522700000000, 0.0003652600000000, -0.0000563200000000 ] - [ -0.0014125000000000, -0.0012327800000000, 0.0022235700000000 ] - [ 0.0006486200000000, -0.0000325400000000, 0.0002958200000000 ] - [ 0.0002045500000000, 0.0440466900000000, 0.0011510900000000 ] - [ 0.0000873800000000, 0.0002570000000000, 0.0004482600000000 ] - [ 0.0000894300000000, 0.0001131100000000, 0.0004515400000000 ] - [ 0.0000876900000000, 0.0001360800000000, 0.0004480700000000 ] - [ 0.0002219400000000, -0.0066549400000000, -0.0005224400000000 ] - [ 0.0002253700000000, -0.0005404600000000, -0.0005293200000000 ] - [ 0.0002263600000000, -0.0001402500000000, -0.0005248100000000 ] - [ 0.0002298600000000, -0.0001439400000000, -0.0005279500000000 ] - [ -0.0008070200000000, -0.0019334400000000, 0.0012785800000000 ] - [ -0.0015834100000000, -0.0008689100000000, 0.0002183900000000 ] - [ -0.0005330100000000, -0.0003021700000000, -0.0007671800000000 ] - [ -0.0010210600000000, -0.0009504100000000, -0.0005844800000000 ] - [ -0.0010459900000000, -0.0012843000000000, -0.0014719500000000 ] - [ -0.0002746500000000, -0.0002122400000000, -0.0004411900000000 ] - [ -0.0013184300000000, 0.0003399800000000, 0.0005480600000000 ] - [ -0.0008371700000000, -0.0002951700000000, 0.0003611500000000 ] - [ -0.0001457100000000, 0.0451592600000000, -0.0004063000000000 ] - [ -0.0006860400000000, 0.0011091700000000, -0.0002361600000000 ] - [ -0.0006846300000000, 0.0000982800000000, -0.0002359900000000 ] - [ -0.0006849000000000, 0.0001390400000000, -0.0002351500000000 ] - [ 0.0000780600000000, 0.0013872300000000, -0.0002196500000000 ] - [ 0.0003701200000000, 0.0009345900000000, -0.0004955100000000 ] - [ 0.0001474700000000, 0.0023554600000000, -0.0014300400000000 ] - [ 0.0014910800000000, 0.0010155800000000, 0.0009261500000000 ] - [ -0.0003711100000000, 0.0001368400000000, -0.0000825200000000 ] - [ -0.0006617800000000, -0.0003346600000000, 0.0001978300000000 ] - [ -0.0004418900000000, 0.0011289800000000, 0.0011567600000000 ] - [ -0.0017834800000000, -0.0002567100000000, -0.0012294300000000 ] - [ -0.0003625500000000, -0.0007415900000000, 0.0001641500000000 ] - [ 0.0091713100000000, -0.0202976700000000, -0.0016975300000000 ] - [ 0.0001081900000000, -0.0006613400000000, 0.0001466100000000 ] - [ 0.0001138100000000, -0.0007852400000000, 0.0001832100000000 ] - [ 0.0006592800000000, 0.0005330500000000, 0.0001362600000000 ] - [ -0.0087991500000000, -0.0189802500000000, 0.0019396300000000 ] - [ 0.0001801000000000, 0.0006148400000000, 0.0001558800000000 ] - [ 0.0001772800000000, 0.0004882900000000, 0.0001199600000000 ] - [ 0.0006832000000000, -0.0001192500000000, 0.0002347700000000 ] - [ 0.0006830900000000, -0.0005306800000000, 0.0002385000000000 ] - [ 0.0006822400000000, -0.0002464800000000, 0.0002363300000000 ] - [ 0.0006828200000000, -0.0044244700000000, 0.0002326600000000 ] - [ 0.0007811600000000, -0.0000926100000000, 0.0000542800000000 ] - [ 0.0066066700000000, 0.0076121200000000, -0.0169987000000000 ] - [ 0.0009276200000000, -0.0002820000000000, 0.0000931500000000 ] - [ 0.0007574300000000, -0.0000504900000000, 0.0003255100000000 ] - [ 0.0010708100000000, 0.0005649800000000, 0.0001667400000000 ] - [ -0.0047830100000000, 0.0082851200000000, 0.0172948600000000 ] - [ 0.0009287000000000, 0.0003732200000000, 0.0001287900000000 ] - [ 0.0011046400000000, 0.0006065000000000, -0.0000991100000000 ] - [ -0.0002268100000000, 0.0001679600000000, 0.0005246500000000 ] - [ -0.0001921800000000, 0.0009307800000000, 0.0004932400000000 ] - [ -0.0002295100000000, 0.0002800100000000, 0.0005251500000000 ] - [ -0.0002180500000000, 0.0026929400000000, 0.0005409700000000 ] - [ -0.0000899200000000, -0.0003192600000000, -0.0004481500000000 ] - [ -0.0000921000000000, -0.0019051600000000, -0.0004414600000000 ] - [ -0.0000885800000000, -0.0003047200000000, -0.0004485100000000 ] - [ -0.0000884500000000, -0.0006939800000000, -0.0004517200000000 ] - [ -0.0001581300000000, -0.0003378900000000, -0.0000826800000000 ] - [ -0.0074719700000000, 0.0621827400000000, -0.0165532300000000 ] - [ -0.0000804400000000, -0.0005744000000000, -0.0001625000000000 ] - [ -0.0001771500000000, -0.0005085800000000, -0.0001493600000000 ] - [ 0.0000165800000000, 0.0009002800000000, -0.0002068800000000 ] - [ 0.0106570000000000, 0.0686387200000000, 0.0180006500000000 ] - [ -0.0000597100000000, 0.0006607800000000, -0.0001263000000000 ] - [ 0.0000419600000000, 0.0007291400000000, -0.0001377400000000 ]- atom: 33 displacement: [ -0.0015728055973509, 0.0000000000000000, 0.0098755396081906 ] forces: - [ 0.0001868600000000, 0.0035435000000000, -0.0046080900000000 ] - [ -0.0003432900000000, -0.0002427300000000, -0.0005070400000000 ] - [ -0.0002824900000000, -0.0003922100000000, 0.0019106000000000 ] - [ -0.0000101500000000, -0.0000718700000000, 0.0006697500000000 ] - [ 0.0001868600000000, -0.0035435000000000, -0.0046080900000000 ] - [ -0.0003432900000000, 0.0002427300000000, -0.0005070400000000 ] - [ -0.0002824900000000, 0.0003922100000000, 0.0019106000000000 ] - [ -0.0000101500000000, 0.0000718700000000, 0.0006697500000000 ] - [ 0.0093570600000000, 0.0000000000000000, -0.0027928000000000 ] - [ -0.0024674200000000, 0.0000000000000000, -0.0003431400000000 ] - [ -0.0009415500000000, 0.0000000000000000, 0.0019669500000000 ] - [ 0.0002747900000000, 0.0000000000000000, 0.0008441300000000 ] - [ 0.0014681300000000, 0.0000000000000000, -0.0012460000000000 ] - [ -0.0002727800000000, 0.0000000000000000, -0.0010131500000000 ] - [ -0.0002361500000000, 0.0000000000000000, 0.0005542300000000 ] - [ 0.0005943900000000, 0.0000000000000000, 0.0003297400000000 ] - [ 0.0012632100000000, 0.0000999400000000, -0.0000511600000000 ] - [ -0.0012393100000000, 0.0010796900000000, 0.0013049500000000 ] - [ -0.0009865300000000, -0.0003279800000000, 0.0000100600000000 ] - [ 0.0023358700000000, -0.0027793900000000, 0.0014962300000000 ] - [ 0.0012632100000000, -0.0000999400000000, -0.0000511600000000 ] - [ -0.0012393100000000, -0.0010796900000000, 0.0013049500000000 ] - [ -0.0009865300000000, 0.0003279800000000, 0.0000100600000000 ] - [ 0.0023358700000000, 0.0027793900000000, 0.0014962300000000 ] - [ 0.0030241400000000, 0.0000000000000000, 0.0130299600000000 ] - [ -0.0006074600000000, 0.0000000000000000, 0.0008356600000000 ] - [ -0.0162682200000000, 0.0000000000000000, 0.0289543500000000 ] - [ 0.0008943500000000, 0.0000000000000000, -0.0004877500000000 ] - [ -0.0013561800000000, 0.0000000000000000, -0.0008943300000000 ] - [ -0.0002302100000000, 0.0000000000000000, -0.0021246600000000 ] - [ 0.0002487900000000, 0.0000000000000000, 0.0012696700000000 ] - [ -0.0007146500000000, 0.0000000000000000, 0.0027739900000000 ] - [ 0.0935548200000000, 0.0000000000000000, -0.3585048000000000 ] - [ -0.0006387400000000, 0.0000000000000000, -0.0021263800000000 ] - [ -0.0017672700000000, 0.0000000000000000, 0.0036755400000000 ] - [ 0.0004398100000000, 0.0000000000000000, 0.0001365000000000 ] - [ -0.0009104900000000, 0.0000000000000000, -0.0050353200000000 ] - [ 0.0004406500000000, 0.0000000000000000, -0.0014604600000000 ] - [ 0.0017775600000000, 0.0000000000000000, 0.0031622700000000 ] - [ 0.0011859200000000, 0.0000000000000000, 0.0013421000000000 ] - [ 0.0001859700000000, -0.0037921200000000, 0.0020749800000000 ] - [ 0.0001212100000000, 0.0005355200000000, 0.0003342600000000 ] - [ 0.0012625500000000, 0.0045864400000000, 0.0033871900000000 ] - [ 0.0008617400000000, 0.0017258200000000, 0.0010682700000000 ] - [ 0.0001859700000000, 0.0037921200000000, 0.0020749800000000 ] - [ 0.0001212100000000, -0.0005355200000000, 0.0003342600000000 ] - [ 0.0012625500000000, -0.0045864400000000, 0.0033871900000000 ] - [ 0.0008617400000000, -0.0017258200000000, 0.0010682700000000 ] - [ -0.0018328900000000, 0.0013432800000000, -0.0028314600000000 ] - [ 0.0008310600000000, 0.0150750100000000, -0.0216353200000000 ] - [ -0.0006758400000000, 0.0006495900000000, 0.0008612800000000 ] - [ -0.0018614500000000, 0.0006283200000000, 0.0024153000000000 ] - [ -0.0018328900000000, -0.0013432800000000, -0.0028314600000000 ] - [ 0.0008310600000000, -0.0150750100000000, -0.0216353200000000 ] - [ -0.0006758400000000, -0.0006495900000000, 0.0008612800000000 ] - [ -0.0018614500000000, -0.0006283200000000, 0.0024153000000000 ] - [ -0.0013663600000000, 0.0000000000000000, -0.0015508300000000 ] - [ -0.0531691700000000, 0.0000000000000000, 0.0376029200000000 ] - [ -0.0011123400000000, 0.0000000000000000, 0.0007470900000000 ] - [ -0.0005353900000000, 0.0000000000000000, 0.0083973300000000 ] - [ -0.0000872900000000, 0.0000000000000000, 0.0001699000000000 ] - [ -0.0028314200000000, 0.0000000000000000, 0.0009906300000000 ] - [ -0.0008766100000000, 0.0000000000000000, 0.0014333900000000 ] - [ 0.0023712100000000, 0.0000000000000000, 0.0017336300000000 ] - [ 0.0014038200000000, 0.0008960500000000, -0.0006916500000000 ] - [ 0.0002164500000000, -0.0003716000000000, 0.0001319600000000 ] - [ -0.0008029800000000, -0.0025151700000000, -0.0006264600000000 ] - [ 0.0001259600000000, -0.0007491300000000, 0.0000464600000000 ] - [ 0.0014038200000000, -0.0008960500000000, -0.0006916500000000 ] - [ 0.0002164500000000, 0.0003716000000000, 0.0001319600000000 ] - [ -0.0008029800000000, 0.0025151700000000, -0.0006264600000000 ] - [ 0.0001259600000000, 0.0007491300000000, 0.0000464600000000 ] - [ 0.0038555600000000, 0.0000000000000000, 0.1438502600000000 ] - [ 0.0005215800000000, 0.0000000000000000, 0.0015943200000000 ] - [ 0.0014597900000000, 0.0000000000000000, -0.0044309000000000 ] - [ 0.0001946000000000, 0.0000000000000000, -0.0005221600000000 ] - [ 0.0005705400000000, 0.0000000000000000, 0.0034202900000000 ] - [ 0.0008308200000000, 0.0000000000000000, 0.0006964500000000 ] - [ -0.0000086100000000, 0.0000000000000000, -0.0031733000000000 ] - [ -0.0000662400000000, 0.0000000000000000, -0.0015021800000000 ] - [ -0.0013844000000000, 0.0023519100000000, 0.0013643800000000 ] - [ -0.0003933000000000, 0.0001246000000000, 0.0005733700000000 ] - [ -0.0010400500000000, -0.0017049300000000, -0.0026221100000000 ] - [ -0.0010903000000000, -0.0005723300000000, -0.0007050500000000 ] - [ -0.0013844000000000, -0.0023519100000000, 0.0013643800000000 ] - [ -0.0003933000000000, -0.0001246000000000, 0.0005733700000000 ] - [ -0.0010400500000000, 0.0017049300000000, -0.0026221100000000 ] - [ -0.0010903000000000, 0.0005723300000000, -0.0007050500000000 ] - [ -0.0487751700000000, 0.0000000000000000, 0.0700251400000000 ] - [ -0.0002580600000000, 0.0000000000000000, 0.0007255200000000 ] - [ 0.0007124400000000, 0.0000000000000000, -0.0044852000000000 ] - [ -0.0005129400000000, 0.0000000000000000, -0.0009960400000000 ] - [ -0.0023648200000000, -0.0028607100000000, -0.0034308400000000 ] - [ 0.0008801600000000, 0.0003379600000000, -0.0003955800000000 ] - [ 0.0014111300000000, 0.0038507300000000, -0.0033701300000000 ] - [ -0.0008137500000000, 0.0009485000000000, -0.0003129500000000 ] - [ -0.0023648200000000, 0.0028607100000000, -0.0034308400000000 ] - [ 0.0008801600000000, -0.0003379600000000, -0.0003955800000000 ] - [ 0.0014111300000000, -0.0038507300000000, -0.0033701300000000 ] - [ -0.0008137500000000, -0.0009485000000000, -0.0003129500000000 ] - [ 0.0010654300000000, -0.0002330500000000, 0.0012967600000000 ] - [ -0.0040768900000000, 0.0008269700000000, 0.0035950000000000 ] - [ -0.0001733500000000, -0.0004815500000000, -0.0008297200000000 ] - [ 0.0002556500000000, -0.0001640300000000, -0.0010898400000000 ] - [ 0.0010654300000000, 0.0002330500000000, 0.0012967600000000 ] - [ -0.0040768900000000, -0.0008269700000000, 0.0035950000000000 ] - [ -0.0001733500000000, 0.0004815500000000, -0.0008297200000000 ] - [ 0.0002556500000000, 0.0001640300000000, -0.0010898400000000 ] - [ 0.0000532700000000, 0.0000000000000000, -0.0001624000000000 ] - [ 0.0021712500000000, 0.0000000000000000, -0.0013288000000000 ] - [ 0.0013334200000000, 0.0000000000000000, 0.0002924300000000 ] - [ -0.0006681900000000, 0.0000000000000000, 0.0013310000000000 ] - [ 0.0008835200000000, -0.0007459100000000, 0.0021790900000000 ] - [ 0.0113686500000000, -0.0108436200000000, 0.0099348100000000 ] - [ 0.0012254000000000, 0.0000291300000000, -0.0010323500000000 ] - [ 0.0005361500000000, 0.0011835000000000, -0.0033808900000000 ] - [ 0.0008835200000000, 0.0007459100000000, 0.0021790900000000 ] - [ 0.0113686500000000, 0.0108436200000000, 0.0099348100000000 ] - [ 0.0012254000000000, -0.0000291300000000, -0.0010323500000000 ] - [ 0.0005361500000000, -0.0011835000000000, -0.0033808900000000 ] - [ -0.0003376000000000, 0.0000000000000000, 0.0012134400000000 ] - [ 0.0060148300000000, 0.0000000000000000, -0.0119341100000000 ] - [ 0.0001018000000000, 0.0000000000000000, 0.0000701900000000 ] - [ -0.0020073600000000, 0.0000000000000000, -0.0099349900000000 ] - [ 0.0000026200000000, 0.0000000000000000, 0.0003815400000000 ] - [ 0.0006449500000000, 0.0000000000000000, 0.0008249100000000 ] - [ 0.0000426800000000, 0.0000000000000000, -0.0011242000000000 ] - [ -0.0007016900000000, 0.0000000000000000, -0.0020951700000000 ] - [ 0.0006466400000000, -0.0006907700000000, 0.0007998400000000 ] - [ -0.0058227400000000, -0.0154060500000000, 0.0585899000000000 ] - [ -0.0001476900000000, -0.0005581100000000, -0.0009056000000000 ] - [ 0.0010666600000000, -0.0009377100000000, -0.0025713900000000 ] - [ 0.0006466400000000, 0.0006907700000000, 0.0007998400000000 ] - [ -0.0058227400000000, 0.0154060500000000, 0.0585899000000000 ] - [ -0.0001476900000000, 0.0005581100000000, -0.0009056000000000 ] - [ 0.0010666600000000, 0.0009377100000000, -0.0025713900000000 ]- atom: 33 displacement: [ 0.0015728055973509, 0.0000000000000000, -0.0098755396081906 ] forces: - [ -0.0003317000000000, -0.0036733600000000, 0.0049770800000000 ] - [ 0.0001662800000000, 0.0001357500000000, 0.0008824100000000 ] - [ 0.0001110100000000, 0.0002864400000000, -0.0015423900000000 ] - [ -0.0001582100000000, -0.0000364500000000, -0.0002987800000000 ] - [ -0.0003317000000000, 0.0036733600000000, 0.0049770800000000 ] - [ 0.0001662800000000, -0.0001357500000000, 0.0008824100000000 ] - [ 0.0001110100000000, -0.0002864400000000, -0.0015423900000000 ] - [ -0.0001582100000000, 0.0000364500000000, -0.0002987800000000 ] - [ -0.0100688600000000, 0.0000000000000000, 0.0031397400000000 ] - [ 0.0018315600000000, 0.0000000000000000, 0.0006845200000000 ] - [ 0.0002915900000000, 0.0000000000000000, -0.0016364000000000 ] - [ -0.0009149100000000, 0.0000000000000000, -0.0005102300000000 ] - [ -0.0008257200000000, 0.0000000000000000, 0.0009163800000000 ] - [ 0.0009185600000000, 0.0000000000000000, 0.0006913400000000 ] - [ 0.0008821800000000, 0.0000000000000000, -0.0008928900000000 ] - [ 0.0000530900000000, 0.0000000000000000, -0.0006714100000000 ] - [ -0.0010983800000000, -0.0002105800000000, -0.0003212300000000 ] - [ 0.0014158200000000, -0.0011921400000000, -0.0016836300000000 ] - [ 0.0011591300000000, 0.0002217600000000, -0.0003869900000000 ] - [ -0.0021444000000000, 0.0026410000000000, -0.0018721300000000 ] - [ -0.0010983800000000, 0.0002105800000000, -0.0003212300000000 ] - [ 0.0014158200000000, 0.0011921400000000, -0.0016836300000000 ] - [ 0.0011591300000000, -0.0002217600000000, -0.0003869900000000 ] - [ -0.0021444000000000, -0.0026410000000000, -0.0018721300000000 ] - [ -0.0024773800000000, 0.0000000000000000, -0.0128765700000000 ] - [ 0.0011581900000000, 0.0000000000000000, -0.0006651800000000 ] - [ 0.0164474200000000, 0.0000000000000000, -0.0285770500000000 ] - [ -0.0003488200000000, 0.0000000000000000, 0.0006440500000000 ] - [ 0.0008088400000000, 0.0000000000000000, 0.0007256500000000 ] - [ -0.0003064100000000, 0.0000000000000000, 0.0019448900000000 ] - [ -0.0008015700000000, 0.0000000000000000, -0.0014375400000000 ] - [ 0.0001660700000000, 0.0000000000000000, -0.0029474700000000 ] - [ -0.0886792900000000, 0.0000000000000000, 0.3701502200000000 ] - [ 0.0014534200000000, 0.0000000000000000, 0.0004577800000000 ] - [ 0.0025878800000000, 0.0000000000000000, -0.0053507500000000 ] - [ 0.0003759200000000, 0.0000000000000000, -0.0018185000000000 ] - [ 0.0029450200000000, 0.0000000000000000, 0.0055198700000000 ] - [ 0.0015756800000000, 0.0000000000000000, 0.0019040500000000 ] - [ 0.0002392900000000, 0.0000000000000000, -0.0027382600000000 ] - [ 0.0008291900000000, 0.0000000000000000, -0.0009143400000000 ] - [ 0.0011799700000000, 0.0062395700000000, -0.0008702700000000 ] - [ 0.0012409200000000, 0.0018911200000000, 0.0008782900000000 ] - [ 0.0000932400000000, -0.0021638900000000, -0.0021870400000000 ] - [ 0.0004973400000000, 0.0006927800000000, 0.0001312800000000 ] - [ 0.0011799700000000, -0.0062395700000000, -0.0008702700000000 ] - [ 0.0012409200000000, -0.0018911200000000, 0.0008782900000000 ] - [ 0.0000932400000000, 0.0021638900000000, -0.0021870400000000 ] - [ 0.0004973400000000, -0.0006927800000000, 0.0001312800000000 ] - [ 0.0004788500000000, 0.0010794400000000, 0.0016419200000000 ] - [ -0.0022846800000000, -0.0126508900000000, 0.0207589000000000 ] - [ -0.0006845200000000, 0.0017733400000000, -0.0020729300000000 ] - [ 0.0005028000000000, 0.0017847000000000, -0.0036187700000000 ] - [ 0.0004788500000000, -0.0010794400000000, 0.0016419200000000 ] - [ -0.0022846800000000, 0.0126508900000000, 0.0207589000000000 ] - [ -0.0006845200000000, -0.0017733400000000, -0.0020729300000000 ] - [ 0.0005028000000000, -0.0017847000000000, -0.0036187700000000 ] - [ -0.0006523100000000, 0.0000000000000000, 0.0011244700000000 ] - [ 0.0516775700000000, 0.0000000000000000, -0.0387583800000000 ] - [ -0.0009044700000000, 0.0000000000000000, -0.0011889500000000 ] - [ -0.0014708300000000, 0.0000000000000000, -0.0087694000000000 ] - [ -0.0007287800000000, 0.0000000000000000, 0.0015137900000000 ] - [ 0.0020249400000000, 0.0000000000000000, 0.0006985000000000 ] - [ 0.0000596700000000, 0.0000000000000000, 0.0002402400000000 ] - [ -0.0031671700000000, 0.0000000000000000, -0.0000694600000000 ] - [ -0.0012722200000000, -0.0021401900000000, 0.0009748200000000 ] - [ -0.0000805500000000, -0.0008653600000000, 0.0001516700000000 ] - [ 0.0009355900000000, 0.0012740800000000, 0.0009213700000000 ] - [ 0.0000128200000000, -0.0004855700000000, 0.0002421300000000 ] - [ -0.0012722200000000, 0.0021401900000000, 0.0009748200000000 ] - [ -0.0000805500000000, 0.0008653600000000, 0.0001516700000000 ] - [ 0.0009355900000000, -0.0012740800000000, 0.0009213700000000 ] - [ 0.0000128200000000, 0.0004855700000000, 0.0002421300000000 ] - [ -0.0045937800000000, 0.0000000000000000, -0.1564358200000000 ] - [ -0.0003421200000000, 0.0000000000000000, -0.0007076800000000 ] - [ -0.0012749700000000, 0.0000000000000000, 0.0053084200000000 ] - [ -0.0000177800000000, 0.0000000000000000, 0.0014215700000000 ] - [ -0.0001352400000000, 0.0000000000000000, -0.0044989900000000 ] - [ -0.0003778100000000, 0.0000000000000000, -0.0017515600000000 ] - [ 0.0004639500000000, 0.0000000000000000, 0.0021307400000000 ] - [ 0.0005215200000000, 0.0000000000000000, 0.0004559400000000 ] - [ -0.0004772400000000, -0.0030204400000000, -0.0016001900000000 ] - [ -0.0014641400000000, -0.0007796400000000, -0.0008029500000000 ] - [ -0.0008165300000000, 0.0010587100000000, 0.0024094200000000 ] - [ -0.0007677300000000, -0.0000754800000000, 0.0004889700000000 ] - [ -0.0004772400000000, 0.0030204400000000, -0.0016001900000000 ] - [ -0.0014641400000000, 0.0007796400000000, -0.0008029500000000 ] - [ -0.0008165300000000, -0.0010587100000000, 0.0024094200000000 ] - [ -0.0007677300000000, 0.0000754800000000, 0.0004889700000000 ] - [ 0.0444289200000000, 0.0000000000000000, -0.0696028900000000 ] - [ -0.0011027800000000, 0.0000000000000000, -0.0011959400000000 ] - [ -0.0020765700000000, 0.0000000000000000, 0.0040223300000000 ] - [ -0.0008552300000000, 0.0000000000000000, 0.0005318000000000 ] - [ 0.0020774300000000, 0.0041466300000000, 0.0031380600000000 ] - [ -0.0011689700000000, 0.0009361000000000, 0.0000901900000000 ] - [ -0.0016932200000000, -0.0025989700000000, 0.0030979900000000 ] - [ 0.0005302400000000, 0.0003236000000000, 0.0000152800000000 ] - [ 0.0020774300000000, -0.0041466300000000, 0.0031380600000000 ] - [ -0.0011689700000000, -0.0009361000000000, 0.0000901900000000 ] - [ -0.0016932200000000, 0.0025989700000000, 0.0030979900000000 ] - [ 0.0005302400000000, -0.0003236000000000, 0.0000152800000000 ] - [ -0.0007826800000000, -0.0010396600000000, -0.0009977500000000 ] - [ 0.0044462400000000, -0.0021618200000000, -0.0033425700000000 ] - [ 0.0004626300000000, -0.0007903200000000, 0.0011367200000000 ] - [ 0.0000271200000000, -0.0011022000000000, 0.0013930500000000 ] - [ -0.0007826800000000, 0.0010396600000000, -0.0009977500000000 ] - [ 0.0044462400000000, 0.0021618200000000, -0.0033425700000000 ] - [ 0.0004626300000000, 0.0007903200000000, 0.0011367200000000 ] - [ 0.0000271200000000, 0.0011022000000000, 0.0013930500000000 ] - [ 0.0013150800000000, 0.0000000000000000, 0.0006312000000000 ] - [ -0.0008092200000000, 0.0000000000000000, 0.0017948600000000 ] - [ 0.0000310700000000, 0.0000000000000000, 0.0001799200000000 ] - [ 0.0020223800000000, 0.0000000000000000, -0.0008411800000000 ] - [ 0.0009762200000000, 0.0001001800000000, -0.0019706300000000 ] - [ -0.0096316400000000, 0.0102828200000000, -0.0098225800000000 ] - [ 0.0006334400000000, -0.0006796100000000, 0.0012578700000000 ] - [ 0.0013151500000000, -0.0018243500000000, 0.0035903900000000 ] - [ 0.0009762200000000, -0.0001001800000000, -0.0019706300000000 ] - [ -0.0096316400000000, -0.0102828200000000, -0.0098225800000000 ] - [ 0.0006334400000000, 0.0006796100000000, 0.0012578700000000 ] - [ 0.0013151500000000, 0.0018243500000000, 0.0035903900000000 ] - [ -0.0001156400000000, 0.0000000000000000, -0.0001713900000000 ] - [ -0.0063805500000000, 0.0000000000000000, 0.0129344900000000 ] - [ -0.0005567400000000, 0.0000000000000000, 0.0009836100000000 ] - [ 0.0015704200000000, 0.0000000000000000, 0.0109139200000000 ] - [ -0.0001802000000000, 0.0000000000000000, -0.0012811000000000 ] - [ -0.0008274200000000, 0.0000000000000000, -0.0017396100000000 ] - [ -0.0002186000000000, 0.0000000000000000, 0.0002356200000000 ] - [ 0.0005201900000000, 0.0000000000000000, 0.0012127900000000 ] - [ -0.0007846100000000, -0.0005454300000000, -0.0010908200000000 ] - [ 0.0055802300000000, 0.0142234400000000, -0.0591367100000000 ] - [ 0.0000106400000000, -0.0006765300000000, 0.0006236800000000 ] - [ -0.0012059000000000, -0.0002954600000000, 0.0022850000000000 ] - [ -0.0007846100000000, 0.0005454300000000, -0.0010908200000000 ] - [ 0.0055802300000000, -0.0142234400000000, -0.0591367100000000 ] - [ 0.0000106400000000, 0.0006765300000000, 0.0006236800000000 ] - [ -0.0012059000000000, 0.0002954600000000, 0.0022850000000000 ]- atom: 37 displacement: [ 0.0099999999923824, 0.0000000000000000, -0.0000003903221875 ] forces: - [ -0.0015416700000000, 0.0018061900000000, -0.0050834400000000 ] - [ 0.0012493000000000, -0.0003134400000000, 0.0004737900000000 ] - [ -0.0009567700000000, -0.0005820300000000, 0.0005740100000000 ] - [ 0.0005446600000000, -0.0001145100000000, 0.0002464900000000 ] - [ -0.0015416700000000, -0.0018061900000000, -0.0050834400000000 ] - [ 0.0012493000000000, 0.0003134400000000, 0.0004737900000000 ] - [ -0.0009567700000000, 0.0005820300000000, 0.0005740100000000 ] - [ 0.0005446600000000, 0.0001145100000000, 0.0002464900000000 ] - [ 0.0004415400000000, 0.0000000000000000, -0.0008013900000000 ] - [ 0.0006946700000000, 0.0000000000000000, 0.0000352600000000 ] - [ -0.0005410800000000, 0.0000000000000000, 0.0004061300000000 ] - [ -0.0000422400000000, 0.0000000000000000, 0.0002533200000000 ] - [ 0.0147100900000000, 0.0000000000000000, 0.0003363200000000 ] - [ 0.0086673600000000, 0.0000000000000000, 0.0005553800000000 ] - [ -0.0000060300000000, 0.0000000000000000, -0.0000821300000000 ] - [ 0.0006169400000000, 0.0000000000000000, -0.0003341600000000 ] - [ 0.0017146900000000, -0.0004540300000000, 0.0006810700000000 ] - [ 0.0005336200000000, 0.0024974400000000, -0.0018837400000000 ] - [ 0.0001674300000000, -0.0001051400000000, -0.0004924900000000 ] - [ -0.0000485500000000, 0.0000955400000000, 0.0002947800000000 ] - [ 0.0017146900000000, 0.0004540300000000, 0.0006810700000000 ] - [ 0.0005336200000000, -0.0024974400000000, -0.0018837400000000 ] - [ 0.0001674300000000, 0.0001051400000000, -0.0004924900000000 ] - [ -0.0000485500000000, -0.0000955400000000, 0.0002947800000000 ] - [ -0.0066182400000000, 0.0000000000000000, 0.0023777900000000 ] - [ 0.0021909600000000, 0.0000000000000000, 0.0002439500000000 ] - [ -0.0004565100000000, 0.0000000000000000, -0.0007759400000000 ] - [ 0.0012790600000000, 0.0000000000000000, 0.0002686100000000 ] - [ 0.0023765600000000, 0.0000000000000000, -0.0014888100000000 ] - [ 0.0026353500000000, 0.0000000000000000, 0.0214061800000000 ] - [ 0.0002552700000000, 0.0000000000000000, 0.0019932200000000 ] - [ -0.0001718500000000, 0.0000000000000000, -0.0054459900000000 ] - [ -0.0030759500000000, 0.0000000000000000, -0.0033458200000000 ] - [ 0.0023022000000000, 0.0000000000000000, -0.0011108500000000 ] - [ -0.0022150700000000, 0.0000000000000000, -0.0004766600000000 ] - [ 0.0014165200000000, 0.0000000000000000, -0.0004968400000000 ] - [ -0.3370340400000000, 0.0000000000000000, 0.0498098400000000 ] - [ 0.0041551700000000, 0.0000000000000000, 0.0005813400000000 ] - [ 0.0005041100000000, 0.0000000000000000, -0.0009333900000000 ] - [ 0.0016009100000000, 0.0000000000000000, 0.0008988700000000 ] - [ -0.0167461200000000, 0.0047914900000000, 0.0295188100000000 ] - [ 0.0023309800000000, 0.0012015700000000, -0.0005065200000000 ] - [ -0.0001245300000000, 0.0004955100000000, 0.0005445800000000 ] - [ 0.0011108100000000, 0.0015400200000000, 0.0008497500000000 ] - [ -0.0167461200000000, -0.0047914900000000, 0.0295188100000000 ] - [ 0.0023309800000000, -0.0012015700000000, -0.0005065200000000 ] - [ -0.0001245300000000, -0.0004955100000000, 0.0005445800000000 ] - [ 0.0011108100000000, -0.0015400200000000, 0.0008497500000000 ] - [ 0.0010110400000000, 0.0000699000000000, -0.0015918400000000 ] - [ -0.0025667800000000, 0.0066818600000000, 0.0019461000000000 ] - [ -0.0004894500000000, 0.0008953200000000, 0.0000737200000000 ] - [ -0.0013875500000000, 0.0024653400000000, -0.0009677300000000 ] - [ 0.0010110400000000, -0.0000699000000000, -0.0015918400000000 ] - [ -0.0025667800000000, -0.0066818600000000, 0.0019461000000000 ] - [ -0.0004894500000000, -0.0008953200000000, 0.0000737200000000 ] - [ -0.0013875500000000, -0.0024653400000000, -0.0009677300000000 ] - [ 0.0010960900000000, 0.0000000000000000, 0.0006497100000000 ] - [ -0.0068190500000000, 0.0000000000000000, -0.0026565400000000 ] - [ -0.0006435700000000, 0.0000000000000000, 0.0001520100000000 ] - [ -0.0016576200000000, 0.0000000000000000, -0.0003442300000000 ] - [ 0.0025627400000000, 0.0000000000000000, 0.0009452200000000 ] - [ -0.0112965700000000, 0.0000000000000000, -0.0541759800000000 ] - [ 0.0007016700000000, 0.0000000000000000, 0.0009105600000000 ] - [ -0.0007741500000000, 0.0000000000000000, 0.0012375000000000 ] - [ 0.0191428900000000, 0.0105475300000000, 0.0016905000000000 ] - [ -0.0016807700000000, -0.0013254500000000, 0.0004697000000000 ] - [ 0.0008324300000000, 0.0000713400000000, -0.0003886600000000 ] - [ -0.0005717400000000, -0.0008218700000000, 0.0000451300000000 ] - [ 0.0191428900000000, -0.0105475300000000, 0.0016905000000000 ] - [ -0.0016807700000000, 0.0013254500000000, 0.0004697000000000 ] - [ 0.0008324300000000, -0.0000713400000000, -0.0003886600000000 ] - [ -0.0005717400000000, 0.0008218700000000, 0.0000451300000000 ] - [ 0.0039975500000000, 0.0000000000000000, 0.0019972700000000 ] - [ -0.0015160100000000, 0.0000000000000000, 0.0006116100000000 ] - [ 0.0009898200000000, 0.0000000000000000, 0.0001168400000000 ] - [ -0.0003089300000000, 0.0000000000000000, 0.0001232300000000 ] - [ 0.0560677900000000, 0.0000000000000000, -0.0029819800000000 ] - [ -0.0015576400000000, 0.0000000000000000, -0.0010258100000000 ] - [ 0.0014622900000000, 0.0000000000000000, 0.0013439200000000 ] - [ -0.0004955000000000, 0.0000000000000000, -0.0013574700000000 ] - [ 0.0573795800000000, 0.0129810700000000, -0.0061701900000000 ] - [ -0.0030957200000000, -0.0002806900000000, 0.0001498400000000 ] - [ -0.0004018600000000, 0.0000372100000000, 0.0001598300000000 ] - [ -0.0013080300000000, -0.0005339900000000, -0.0003628600000000 ] - [ 0.0573795800000000, -0.0129810700000000, -0.0061701900000000 ] - [ -0.0030957200000000, 0.0002806900000000, 0.0001498400000000 ] - [ -0.0004018600000000, -0.0000372100000000, 0.0001598300000000 ] - [ -0.0013080300000000, 0.0005339900000000, -0.0003628600000000 ] - [ 0.0008948100000000, 0.0000000000000000, 0.0008101800000000 ] - [ -0.0021299600000000, 0.0000000000000000, -0.0001010500000000 ] - [ 0.0018264700000000, 0.0000000000000000, -0.0022771700000000 ] - [ -0.0014899600000000, 0.0000000000000000, -0.0002034700000000 ] - [ 0.0000302500000000, 0.0069047300000000, -0.0096540900000000 ] - [ -0.0013137400000000, 0.0003176200000000, 0.0000579000000000 ] - [ 0.0003656400000000, 0.0002698300000000, 0.0002030100000000 ] - [ -0.0006851200000000, 0.0006365200000000, -0.0004698500000000 ] - [ 0.0000302500000000, -0.0069047300000000, -0.0096540900000000 ] - [ -0.0013137400000000, -0.0003176200000000, 0.0000579000000000 ] - [ 0.0003656400000000, -0.0002698300000000, 0.0002030100000000 ] - [ -0.0006851200000000, -0.0006365200000000, -0.0004698500000000 ] - [ -0.0018828900000000, -0.0000396800000000, 0.0015927800000000 ] - [ -0.0002052600000000, -0.0034649500000000, -0.0034642000000000 ] - [ 0.0001009300000000, -0.0005104500000000, -0.0005392200000000 ] - [ -0.0003708500000000, -0.0021218300000000, 0.0014859500000000 ] - [ -0.0018828900000000, 0.0000396800000000, 0.0015927800000000 ] - [ -0.0002052600000000, 0.0034649500000000, -0.0034642000000000 ] - [ 0.0001009300000000, 0.0005104500000000, -0.0005392200000000 ] - [ -0.0003708500000000, 0.0021218300000000, 0.0014859500000000 ] - [ -0.0017293700000000, 0.0000000000000000, -0.0012762800000000 ] - [ -0.0045027900000000, 0.0000000000000000, 0.0134198800000000 ] - [ -0.0001091400000000, 0.0000000000000000, 0.0010227700000000 ] - [ 0.0022411200000000, 0.0000000000000000, 0.0008798900000000 ] - [ -0.0005733300000000, 0.0003159100000000, 0.0003604200000000 ] - [ 0.0019457300000000, -0.0033247900000000, 0.0002641500000000 ] - [ 0.0008666000000000, -0.0000938000000000, -0.0003264300000000 ] - [ 0.0011395500000000, -0.0008296100000000, 0.0005080800000000 ] - [ -0.0005733300000000, -0.0003159100000000, 0.0003604200000000 ] - [ 0.0019457300000000, 0.0033247900000000, 0.0002641500000000 ] - [ 0.0008666000000000, 0.0000938000000000, -0.0003264300000000 ] - [ 0.0011395500000000, 0.0008296100000000, 0.0005080800000000 ] - [ -0.0017135400000000, 0.0000000000000000, -0.0002900500000000 ] - [ 0.0031054400000000, 0.0000000000000000, 0.0023322300000000 ] - [ -0.0006411400000000, 0.0000000000000000, 0.0002981600000000 ] - [ 0.0002951500000000, 0.0000000000000000, 0.0007272100000000 ] - [ -0.0028371700000000, 0.0000000000000000, -0.0003186600000000 ] - [ 0.1595654600000000, 0.0000000000000000, -0.0430473800000000 ] - [ -0.0005439800000000, 0.0000000000000000, -0.0005916500000000 ] - [ 0.0001610900000000, 0.0000000000000000, -0.0001953200000000 ] - [ -0.0015717100000000, 0.0001900300000000, 0.0005114600000000 ] - [ 0.0027910800000000, -0.0023812800000000, -0.0004318500000000 ] - [ -0.0005693700000000, -0.0004620000000000, -0.0005783600000000 ] - [ 0.0008910400000000, -0.0014139200000000, -0.0000951000000000 ] - [ -0.0015717100000000, -0.0001900300000000, 0.0005114600000000 ] - [ 0.0027910800000000, 0.0023812800000000, -0.0004318500000000 ] - [ -0.0005693700000000, 0.0004620000000000, -0.0005783600000000 ] - [ 0.0008910400000000, 0.0014139200000000, -0.0000951000000000 ]- atom: 37 displacement: [ -0.0099999999923824, 0.0000000000000000, 0.0000003903221875 ] forces: - [ 0.0014056600000000, -0.0019226000000000, 0.0054593200000000 ] - [ -0.0014161800000000, 0.0002028300000000, -0.0000971500000000 ] - [ 0.0007846100000000, 0.0004689100000000, -0.0002067400000000 ] - [ -0.0007156100000000, 0.0000062600000000, 0.0001247600000000 ] - [ 0.0014056600000000, 0.0019226000000000, 0.0054593200000000 ] - [ -0.0014161800000000, -0.0002028300000000, -0.0000971500000000 ] - [ 0.0007846100000000, -0.0004689100000000, -0.0002067400000000 ] - [ -0.0007156100000000, -0.0000062600000000, 0.0001247600000000 ] - [ -0.0010787000000000, 0.0000000000000000, 0.0011332400000000 ] - [ -0.0013383100000000, 0.0000000000000000, 0.0003003600000000 ] - [ -0.0001029000000000, 0.0000000000000000, -0.0000702200000000 ] - [ -0.0006053500000000, 0.0000000000000000, 0.0000823700000000 ] - [ -0.0142930600000000, 0.0000000000000000, -0.0007096200000000 ] - [ -0.0079122000000000, 0.0000000000000000, -0.0008946800000000 ] - [ 0.0006546300000000, 0.0000000000000000, -0.0002537500000000 ] - [ 0.0000260400000000, 0.0000000000000000, -0.0000056400000000 ] - [ -0.0015338900000000, 0.0003488500000000, -0.0010531300000000 ] - [ -0.0003572100000000, -0.0025928100000000, 0.0014983500000000 ] - [ 0.0000059600000000, -0.0000019200000000, 0.0001217800000000 ] - [ 0.0002139000000000, -0.0002071500000000, -0.0006687100000000 ] - [ -0.0015338900000000, -0.0003488500000000, -0.0010531300000000 ] - [ -0.0003572100000000, 0.0025928100000000, 0.0014983500000000 ] - [ 0.0000059600000000, 0.0000019200000000, 0.0001217800000000 ] - [ 0.0002139000000000, 0.0002071500000000, -0.0006687100000000 ] - [ 0.0071337100000000, 0.0000000000000000, -0.0022062700000000 ] - [ -0.0016344800000000, 0.0000000000000000, -0.0000757700000000 ] - [ 0.0010118500000000, 0.0000000000000000, 0.0009356300000000 ] - [ -0.0007256600000000, 0.0000000000000000, -0.0000973200000000 ] - [ -0.0029355500000000, 0.0000000000000000, 0.0013327400000000 ] - [ -0.0032938900000000, 0.0000000000000000, -0.0213571800000000 ] - [ -0.0008107500000000, 0.0000000000000000, -0.0021661100000000 ] - [ -0.0003713600000000, 0.0000000000000000, 0.0052406000000000 ] - [ 0.0038839100000000, 0.0000000000000000, 0.0016628800000000 ] - [ -0.0014873000000000, 0.0000000000000000, -0.0005685700000000 ] - [ 0.0030172300000000, 0.0000000000000000, -0.0012035600000000 ] - [ -0.0005981500000000, 0.0000000000000000, -0.0011820400000000 ] - [ 0.3311244100000000, 0.0000000000000000, -0.0409662400000000 ] - [ -0.0021350100000000, 0.0000000000000000, -0.0001417800000000 ] - [ 0.0015149800000000, 0.0000000000000000, 0.0013564000000000 ] - [ 0.0004137600000000, 0.0000000000000000, -0.0004646500000000 ] - [ 0.0179310200000000, -0.0023468700000000, -0.0281532400000000 ] - [ -0.0009671300000000, 0.0012145600000000, 0.0017049400000000 ] - [ 0.0014969900000000, 0.0019336500000000, 0.0006559000000000 ] - [ 0.0002465600000000, 0.0008824200000000, 0.0003619300000000 ] - [ 0.0179310200000000, 0.0023468700000000, -0.0281532400000000 ] - [ -0.0009671300000000, -0.0012145600000000, 0.0017049400000000 ] - [ 0.0014969900000000, -0.0019336500000000, 0.0006559000000000 ] - [ 0.0002465600000000, -0.0008824200000000, 0.0003619300000000 ] - [ -0.0023705200000000, 0.0023652600000000, 0.0003746000000000 ] - [ 0.0011640400000000, -0.0042243800000000, -0.0031247900000000 ] - [ -0.0008692500000000, 0.0015280800000000, -0.0012813300000000 ] - [ 0.0000282700000000, -0.0000422900000000, -0.0002450000000000 ] - [ -0.0023705200000000, -0.0023652600000000, 0.0003746000000000 ] - [ 0.0011640400000000, 0.0042243800000000, -0.0031247900000000 ] - [ -0.0008692500000000, -0.0015280800000000, -0.0012813300000000 ] - [ 0.0000282700000000, 0.0000422900000000, -0.0002450000000000 ] - [ -0.0031073900000000, 0.0000000000000000, -0.0010845100000000 ] - [ 0.0047659400000000, 0.0000000000000000, 0.0022129700000000 ] - [ -0.0013705900000000, 0.0000000000000000, -0.0005842100000000 ] - [ -0.0003610800000000, 0.0000000000000000, -0.0000941900000000 ] - [ -0.0033742200000000, 0.0000000000000000, 0.0007257700000000 ] - [ 0.0105328900000000, 0.0000000000000000, 0.0554702000000000 ] - [ -0.0015171500000000, 0.0000000000000000, 0.0007711000000000 ] - [ -0.0000320400000000, 0.0000000000000000, 0.0004127700000000 ] - [ -0.0188856000000000, -0.0116847900000000, -0.0012817100000000 ] - [ 0.0018144500000000, 0.0000907300000000, -0.0001777700000000 ] - [ -0.0007061700000000, -0.0013152600000000, 0.0006917700000000 ] - [ 0.0007109400000000, -0.0004126300000000, 0.0002383000000000 ] - [ -0.0188856000000000, 0.0116847900000000, -0.0012817100000000 ] - [ 0.0018144500000000, -0.0000907300000000, -0.0001777700000000 ] - [ -0.0007061700000000, 0.0013152600000000, 0.0006917700000000 ] - [ 0.0007109400000000, 0.0004126300000000, 0.0002383000000000 ] - [ -0.0037982300000000, 0.0000000000000000, -0.0011033400000000 ] - [ 0.0016906900000000, 0.0000000000000000, 0.0002855000000000 ] - [ -0.0008077000000000, 0.0000000000000000, 0.0007792800000000 ] - [ 0.0004849800000000, 0.0000000000000000, 0.0007727500000000 ] - [ -0.0555686400000000, 0.0000000000000000, 0.0007964900000000 ] - [ 0.0020084600000000, 0.0000000000000000, -0.0000313300000000 ] - [ -0.0010106300000000, 0.0000000000000000, -0.0023867100000000 ] - [ 0.0009529700000000, 0.0000000000000000, 0.0003068000000000 ] - [ -0.0603768000000000, -0.0154196900000000, 0.0051838100000000 ] - [ 0.0012307200000000, -0.0003672200000000, -0.0003677300000000 ] - [ -0.0014591100000000, -0.0006881300000000, -0.0003753600000000 ] - [ -0.0005474400000000, -0.0001185300000000, 0.0001395800000000 ] - [ -0.0603768000000000, 0.0154196900000000, 0.0051838100000000 ] - [ 0.0012307200000000, 0.0003672200000000, -0.0003677300000000 ] - [ -0.0014591100000000, 0.0006881300000000, -0.0003753600000000 ] - [ -0.0005474400000000, 0.0001185300000000, 0.0001395800000000 ] - [ -0.0022632300000000, 0.0000000000000000, -0.0012746400000000 ] - [ 0.0007599900000000, 0.0000000000000000, -0.0003705800000000 ] - [ -0.0031801900000000, 0.0000000000000000, 0.0017925700000000 ] - [ 0.0001171100000000, 0.0000000000000000, -0.0002601200000000 ] - [ -0.0002855800000000, -0.0055737000000000, 0.0092826000000000 ] - [ 0.0010246900000000, 0.0009511500000000, -0.0003572000000000 ] - [ -0.0006623300000000, 0.0010050500000000, -0.0005043600000000 ] - [ 0.0003965600000000, 0.0006363000000000, 0.0001651900000000 ] - [ -0.0002855800000000, 0.0055737000000000, 0.0092826000000000 ] - [ 0.0010246900000000, -0.0009511500000000, -0.0003572000000000 ] - [ -0.0006623300000000, -0.0010050500000000, -0.0005043600000000 ] - [ 0.0003965600000000, -0.0006363000000000, 0.0001651900000000 ] - [ 0.0021785200000000, -0.0012476200000000, -0.0012944500000000 ] - [ 0.0005166600000000, 0.0021742900000000, 0.0037249400000000 ] - [ 0.0001878300000000, -0.0007664000000000, 0.0008428100000000 ] - [ 0.0006627000000000, 0.0008526100000000, -0.0011842600000000 ] - [ 0.0021785200000000, 0.0012476200000000, -0.0012944500000000 ] - [ 0.0005166600000000, -0.0021742900000000, 0.0037249400000000 ] - [ 0.0001878300000000, 0.0007664000000000, 0.0008428100000000 ] - [ 0.0006627000000000, -0.0008526100000000, -0.0011842600000000 ] - [ 0.0030961300000000, 0.0000000000000000, 0.0017512700000000 ] - [ 0.0058841600000000, 0.0000000000000000, -0.0129830000000000 ] - [ 0.0014779100000000, 0.0000000000000000, -0.0005601500000000 ] - [ -0.0008436600000000, 0.0000000000000000, -0.0003634100000000 ] - [ 0.0024221400000000, -0.0009694600000000, -0.0001324300000000 ] - [ -0.0000769100000000, 0.0026570300000000, -0.0000508900000000 ] - [ 0.0009900100000000, -0.0005579300000000, 0.0005474300000000 ] - [ 0.0007188000000000, 0.0001769300000000, -0.0002829600000000 ] - [ 0.0024221400000000, 0.0009694600000000, -0.0001324300000000 ] - [ -0.0000769100000000, -0.0026570300000000, -0.0000508900000000 ] - [ 0.0009900100000000, 0.0005579300000000, 0.0005474300000000 ] - [ 0.0007188000000000, -0.0001769300000000, -0.0002829600000000 ] - [ 0.0012541400000000, 0.0000000000000000, 0.0013377200000000 ] - [ -0.0035381700000000, 0.0000000000000000, -0.0012753400000000 ] - [ 0.0001867100000000, 0.0000000000000000, 0.0007492200000000 ] - [ -0.0007457500000000, 0.0000000000000000, 0.0003270000000000 ] - [ 0.0026611400000000, 0.0000000000000000, -0.0005724700000000 ] - [ -0.1495145300000000, 0.0000000000000000, 0.0363184400000000 ] - [ 0.0003690200000000, 0.0000000000000000, -0.0003060300000000 ] - [ -0.0003426700000000, 0.0000000000000000, -0.0006874100000000 ] - [ 0.0014358400000000, -0.0014287700000000, -0.0007971900000000 ] - [ -0.0029009800000000, 0.0011462200000000, 0.0001394900000000 ] - [ 0.0004285600000000, -0.0007730000000000, 0.0002910400000000 ] - [ -0.0010268100000000, 0.0001757900000000, -0.0001887400000000 ] - [ 0.0014358400000000, 0.0014287700000000, -0.0007971900000000 ] - [ -0.0029009800000000, -0.0011462200000000, 0.0001394900000000 ] - [ 0.0004285600000000, 0.0007730000000000, 0.0002910400000000 ] - [ -0.0010268100000000, -0.0001757900000000, -0.0001887400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019685600000000, 0.0024369300000000, -0.0079932900000000 ] - [ -0.0001737400000000, -0.0000914700000000, 0.0001588000000000 ] - [ -0.0001852800000000, -0.0000215900000000, 0.0018094000000000 ] - [ -0.0000611300000000, -0.0000732400000000, 0.0002077400000000 ] - [ -0.0021733500000000, 0.0025437500000000, 0.0084305700000000 ] - [ 0.0000029000000000, 0.0000159900000000, 0.0002135900000000 ] - [ 0.0000155300000000, 0.0000903500000000, -0.0014455400000000 ] - [ -0.0001096000000000, 0.0000351900000000, 0.0001629000000000 ] - [ -0.0003282500000000, 0.0062080700000000, 0.0001658700000000 ] - [ -0.0003201100000000, 0.0003141800000000, 0.0001679100000000 ] - [ -0.0003226400000000, 0.0001522200000000, 0.0001680600000000 ] - [ -0.0003232700000000, 0.0000567800000000, 0.0001680100000000 ] - [ 0.0003475800000000, -0.0087394400000000, -0.0001584200000000 ] - [ 0.0003259000000000, -0.0005958600000000, -0.0001651100000000 ] - [ 0.0003238500000000, -0.0001864000000000, -0.0001684100000000 ] - [ 0.0003219900000000, -0.0000716000000000, -0.0001694100000000 ] - [ -0.0023596600000000, 0.0006880700000000, -0.0014708400000000 ] - [ 0.0014203800000000, 0.0002343300000000, -0.0003241600000000 ] - [ 0.0000119500000000, -0.0000141900000000, -0.0000183500000000 ] - [ 0.0000687200000000, -0.0001076000000000, -0.0000095700000000 ] - [ 0.0025283500000000, 0.0007970700000000, 0.0011002800000000 ] - [ -0.0012418900000000, 0.0003477700000000, -0.0000520800000000 ] - [ 0.0001582500000000, 0.0000953600000000, -0.0003520000000000 ] - [ 0.0001008200000000, 0.0000083300000000, -0.0003595300000000 ] - [ 0.0002718100000000, 0.0134925900000000, 0.0000705200000000 ] - [ 0.0002739500000000, 0.0002470400000000, 0.0000885800000000 ] - [ 0.0002763500000000, 0.0005043500000000, 0.0000910900000000 ] - [ 0.0002739300000000, 0.0002162200000000, 0.0000848400000000 ] - [ -0.0002714600000000, -0.0026633600000000, -0.0000849300000000 ] - [ -0.0003118900000000, -0.0018654300000000, -0.0001147800000000 ] - [ -0.0002779900000000, -0.0012405800000000, -0.0000864200000000 ] - [ -0.0002781800000000, -0.0011897600000000, -0.0000880600000000 ] - [ 0.0004054800000000, 0.0038162400000000, -0.0008256800000000 ] - [ 0.0004072500000000, 0.0011791100000000, -0.0008393600000000 ] - [ 0.0004054600000000, 0.0005895000000000, -0.0008405500000000 ] - [ 0.0004070000000000, 0.0007041300000000, -0.0008394800000000 ] - [ 0.0048952300000000, -0.2248239500000000, 0.0025370300000000 ] - [ 0.0010069400000000, -0.0002562100000000, 0.0002178900000000 ] - [ 0.0010107600000000, -0.0001328800000000, 0.0002154200000000 ] - [ 0.0010070900000000, -0.0001264300000000, 0.0002165300000000 ] - [ -0.0070628700000000, 0.0281122200000000, 0.0450800200000000 ] - [ 0.0007823900000000, 0.0011889800000000, 0.0006185700000000 ] - [ 0.0006066400000000, 0.0011211800000000, 0.0004475500000000 ] - [ 0.0006733600000000, 0.0011758400000000, 0.0005492500000000 ] - [ 0.0082173800000000, 0.0259702100000000, -0.0441469500000000 ] - [ 0.0005768700000000, -0.0012336100000000, 0.0005909500000000 ] - [ 0.0007634000000000, -0.0013101300000000, 0.0007581500000000 ] - [ 0.0006847800000000, -0.0012480900000000, 0.0006606900000000 ] - [ -0.0021430300000000, 0.0020219300000000, 0.0004658700000000 ] - [ 0.0020039100000000, 0.0022890800000000, 0.0012671600000000 ] - [ -0.0009147000000000, 0.0016554100000000, -0.0011028700000000 ] - [ -0.0003828200000000, 0.0010720600000000, -0.0009010200000000 ] - [ 0.0007822000000000, -0.0003996400000000, -0.0016733300000000 ] - [ -0.0033243200000000, -0.0000999000000000, -0.0024469500000000 ] - [ -0.0004449600000000, -0.0007684900000000, -0.0001069200000000 ] - [ -0.0009714800000000, -0.0013433200000000, -0.0003090000000000 ] - [ -0.0010087200000000, 0.0031878900000000, -0.0002173900000000 ] - [ -0.0009973800000000, 0.0039929900000000, -0.0002258900000000 ] - [ -0.0010078900000000, 0.0003776700000000, -0.0002169200000000 ] - [ -0.0010074000000000, 0.0002459400000000, -0.0002150900000000 ] - [ -0.0004092800000000, -0.0003883600000000, 0.0008407800000000 ] - [ -0.0004029000000000, -0.0151476800000000, 0.0009012200000000 ] - [ -0.0004077100000000, -0.0001020800000000, 0.0008395700000000 ] - [ -0.0003981100000000, -0.0001939500000000, 0.0008277200000000 ] - [ 0.0126859300000000, 0.0064089300000000, -0.0116591000000000 ] - [ 0.0001083900000000, -0.0003838500000000, 0.0001233500000000 ] - [ 0.0003833900000000, -0.0002178900000000, 0.0000209900000000 ] - [ 0.0000992800000000, -0.0005342100000000, 0.0001931100000000 ] - [ -0.0125901800000000, 0.0076608200000000, 0.0120012600000000 ] - [ 0.0000295500000000, 0.0008513900000000, 0.0001652100000000 ] - [ -0.0002571600000000, 0.0010311000000000, 0.0002787600000000 ] - [ 0.0000397200000000, 0.0007011100000000, 0.0000940100000000 ] - [ 0.0000845800000000, -0.0047153800000000, 0.0004443500000000 ] - [ 0.0000898800000000, -0.0008459100000000, 0.0004477300000000 ] - [ 0.0000907500000000, -0.0001634200000000, 0.0004472500000000 ] - [ 0.0000900400000000, -0.0002104800000000, 0.0004486900000000 ] - [ 0.0001073700000000, 0.0458465400000000, -0.0011806800000000 ] - [ 0.0002267700000000, 0.0004389700000000, -0.0005259000000000 ] - [ 0.0002235500000000, 0.0007271500000000, -0.0005275000000000 ] - [ 0.0002275400000000, 0.0001519500000000, -0.0005241600000000 ] - [ 0.0093441300000000, 0.0517175600000000, -0.0060737900000000 ] - [ -0.0008697200000000, -0.0001682900000000, -0.0001006600000000 ] - [ -0.0008393800000000, -0.0001865900000000, -0.0001341400000000 ] - [ -0.0009184000000000, -0.0002637200000000, -0.0000762600000000 ] - [ -0.0140409000000000, 0.0567207100000000, 0.0041263500000000 ] - [ -0.0009861100000000, 0.0004863000000000, -0.0001226600000000 ] - [ -0.0010224200000000, 0.0004680600000000, -0.0000869900000000 ] - [ -0.0009368900000000, 0.0003897700000000, -0.0001465800000000 ] - [ -0.0006833100000000, -0.0019206000000000, -0.0002412500000000 ] - [ -0.0006855700000000, -0.0003083700000000, -0.0002363700000000 ] - [ -0.0006796300000000, -0.0022646400000000, -0.0002402300000000 ] - [ -0.0006854500000000, -0.0001566800000000, -0.0002315400000000 ] - [ 0.0002176000000000, -0.0178153000000000, 0.0102326100000000 ] - [ -0.0002729500000000, 0.0005478200000000, -0.0001227600000000 ] - [ -0.0002647100000000, 0.0005066000000000, -0.0002869700000000 ] - [ -0.0002242500000000, 0.0005779300000000, -0.0002116700000000 ] - [ -0.0004829000000000, -0.0191226100000000, -0.0105872000000000 ] - [ -0.0000121000000000, -0.0007279800000000, -0.0001797900000000 ] - [ -0.0000292800000000, -0.0007723900000000, -0.0000183900000000 ] - [ -0.0000659000000000, -0.0006954000000000, -0.0000906100000000 ] - [ 0.0022890600000000, 0.0002773600000000, -0.0011142600000000 ] - [ 0.0000553300000000, 0.0001981800000000, -0.0006434600000000 ] - [ 0.0007462200000000, -0.0003181300000000, 0.0007157100000000 ] - [ 0.0000442500000000, -0.0005064600000000, 0.0002395900000000 ] - [ -0.0019972900000000, 0.0015452100000000, 0.0014136900000000 ] - [ 0.0002498000000000, 0.0014300600000000, 0.0009399000000000 ] - [ -0.0004542100000000, 0.0009557800000000, -0.0004119800000000 ] - [ 0.0002472200000000, 0.0007562800000000, 0.0000570600000000 ] - [ 0.0006881000000000, 0.0016918000000000, 0.0002366800000000 ] - [ 0.0006993600000000, 0.0015777800000000, 0.0001984500000000 ] - [ 0.0006855000000000, 0.0004144100000000, 0.0002345700000000 ] - [ 0.0006937100000000, -0.0005099900000000, 0.0002609700000000 ] - [ 0.0026844300000000, -0.0022192500000000, -0.0001780600000000 ] - [ 0.0002359400000000, -0.0020302000000000, 0.0000535400000000 ] - [ 0.0009538800000000, -0.0006375800000000, 0.0003608700000000 ] - [ 0.0008767200000000, -0.0004300900000000, 0.0003087500000000 ] - [ -0.0008269600000000, -0.0015691900000000, 0.0004012600000000 ] - [ 0.0016059400000000, -0.0013847100000000, 0.0001570500000000 ] - [ 0.0009045100000000, 0.0000165400000000, -0.0001376800000000 ] - [ 0.0009804800000000, 0.0002204200000000, -0.0000865100000000 ] - [ -0.0002279200000000, -0.0008316900000000, 0.0005237200000000 ] - [ -0.0002249400000000, -0.0030713100000000, 0.0005309000000000 ] - [ -0.0002248900000000, -0.0001333700000000, 0.0005237200000000 ] - [ -0.0002270500000000, -0.0001506100000000, 0.0005201400000000 ] - [ -0.0000884100000000, 0.0005428000000000, -0.0004480400000000 ] - [ -0.0008276300000000, 0.0439300000000000, -0.0001768600000000 ] - [ -0.0000883100000000, 0.0000951900000000, -0.0004473800000000 ] - [ -0.0000933900000000, 0.0001258700000000, -0.0004437900000000 ] - [ 0.0008245800000000, -0.0015155600000000, -0.0006634400000000 ] - [ -0.0003726700000000, -0.0021346500000000, -0.0007558900000000 ] - [ 0.0002654300000000, -0.0009694800000000, 0.0000905100000000 ] - [ -0.0003155700000000, -0.0010936300000000, 0.0002755300000000 ] - [ -0.0009598800000000, -0.0002806300000000, 0.0003757300000000 ] - [ 0.0002186700000000, -0.0009076100000000, 0.0004559300000000 ] - [ -0.0004023200000000, 0.0002669500000000, -0.0003786700000000 ] - [ 0.0001761000000000, 0.0001408300000000, -0.0005609900000000 ]- atom: 37 displacement: [ -0.0015728055973509, 0.0000000000000000, 0.0098755396081906 ] forces: - [ -0.0055268100000000, -0.0083820800000000, 0.0006121900000000 ] - [ 0.0010161700000000, -0.0002125900000000, -0.0002991100000000 ] - [ 0.0000809800000000, 0.0003173200000000, 0.0026973300000000 ] - [ -0.0001940500000000, -0.0000261000000000, 0.0007145700000000 ] - [ -0.0055268100000000, 0.0083820800000000, 0.0006121900000000 ] - [ 0.0010161700000000, 0.0002125900000000, -0.0002991100000000 ] - [ 0.0000809800000000, -0.0003173200000000, 0.0026973300000000 ] - [ -0.0001940500000000, 0.0000261000000000, 0.0007145700000000 ] - [ 0.0003283100000000, 0.0000000000000000, -0.0018342900000000 ] - [ -0.0001502200000000, 0.0000000000000000, -0.0008288400000000 ] - [ -0.0005211300000000, 0.0000000000000000, 0.0013842600000000 ] - [ -0.0002960600000000, 0.0000000000000000, 0.0009155000000000 ] - [ 0.0003543500000000, 0.0000000000000000, -0.0052958800000000 ] - [ -0.0021843000000000, 0.0000000000000000, -0.0040314100000000 ] - [ -0.0000716000000000, 0.0000000000000000, 0.0008010800000000 ] - [ 0.0008077000000000, 0.0000000000000000, 0.0019610300000000 ] - [ 0.0014020800000000, -0.0003090400000000, 0.0001233200000000 ] - [ -0.0018046500000000, -0.0021606600000000, 0.0003455600000000 ] - [ -0.0003049900000000, 0.0000578500000000, 0.0000402500000000 ] - [ 0.0007552900000000, 0.0014824100000000, 0.0013993000000000 ] - [ 0.0014020800000000, 0.0003090400000000, 0.0001233200000000 ] - [ -0.0018046500000000, 0.0021606600000000, 0.0003455600000000 ] - [ -0.0003049900000000, -0.0000578500000000, 0.0000402500000000 ] - [ 0.0007552900000000, -0.0014824100000000, 0.0013993000000000 ] - [ -0.0020624900000000, 0.0000000000000000, 0.0016150500000000 ] - [ 0.0000721100000000, 0.0000000000000000, 0.0003359500000000 ] - [ 0.0000736400000000, 0.0000000000000000, 0.0012129400000000 ] - [ 0.0013902700000000, 0.0000000000000000, 0.0004217500000000 ] - [ -0.0019284800000000, 0.0000000000000000, -0.0008637700000000 ] - [ 0.0370055700000000, 0.0000000000000000, 0.0140475300000000 ] - [ 0.0009399100000000, 0.0000000000000000, 0.0019175800000000 ] - [ -0.0020937000000000, 0.0000000000000000, 0.0067165600000000 ] - [ -0.0024505300000000, 0.0000000000000000, -0.0062871100000000 ] - [ 0.0009953500000000, 0.0000000000000000, -0.0023430900000000 ] - [ -0.0007919400000000, 0.0000000000000000, 0.0018074400000000 ] - [ 0.0006431500000000, 0.0000000000000000, 0.0003026300000000 ] - [ 0.0954048100000000, 0.0000000000000000, -0.4077456500000000 ] - [ 0.0008727400000000, 0.0000000000000000, -0.0020312200000000 ] - [ -0.0000475300000000, 0.0000000000000000, 0.0057394000000000 ] - [ 0.0015874200000000, 0.0000000000000000, 0.0020787700000000 ] - [ 0.0122304600000000, 0.0241870900000000, 0.0131245700000000 ] - [ 0.0004591900000000, 0.0011549700000000, -0.0000966500000000 ] - [ -0.0029695600000000, -0.0005498900000000, 0.0046093000000000 ] - [ 0.0012142300000000, 0.0015493300000000, 0.0016314100000000 ] - [ 0.0122304600000000, -0.0241870900000000, 0.0131245700000000 ] - [ 0.0004591900000000, -0.0011549700000000, -0.0000966500000000 ] - [ -0.0029695600000000, 0.0005498900000000, 0.0046093000000000 ] - [ 0.0012142300000000, -0.0015493300000000, 0.0016314100000000 ] - [ -0.0007135800000000, 0.0031226300000000, -0.0032257600000000 ] - [ 0.0004719400000000, 0.0075321400000000, -0.0092027900000000 ] - [ -0.0004060600000000, 0.0003156300000000, 0.0008723800000000 ] - [ -0.0013615200000000, 0.0004926100000000, 0.0021196800000000 ] - [ -0.0007135800000000, -0.0031226300000000, -0.0032257600000000 ] - [ 0.0004719400000000, -0.0075321400000000, -0.0092027900000000 ] - [ -0.0004060600000000, -0.0003156300000000, 0.0008723800000000 ] - [ -0.0013615200000000, -0.0004926100000000, 0.0021196800000000 ] - [ -0.0004769800000000, 0.0000000000000000, -0.0012464500000000 ] - [ -0.0025144700000000, 0.0000000000000000, -0.0047389400000000 ] - [ -0.0006989200000000, 0.0000000000000000, 0.0011430400000000 ] - [ -0.0010284700000000, 0.0000000000000000, 0.0027657800000000 ] - [ 0.0007555900000000, 0.0000000000000000, -0.0002615000000000 ] - [ -0.0240537600000000, 0.0000000000000000, 0.0433491800000000 ] - [ -0.0003028400000000, 0.0000000000000000, 0.0018434000000000 ] - [ -0.0045199400000000, 0.0000000000000000, 0.0087051400000000 ] - [ -0.0020262000000000, -0.0059885600000000, -0.0060508800000000 ] - [ -0.0002719900000000, -0.0007221500000000, 0.0004479300000000 ] - [ 0.0029966600000000, 0.0017147300000000, -0.0046858700000000 ] - [ -0.0002708500000000, -0.0007107000000000, -0.0003287200000000 ] - [ -0.0020262000000000, 0.0059885600000000, -0.0060508800000000 ] - [ -0.0002719900000000, 0.0007221500000000, 0.0004479300000000 ] - [ 0.0029966600000000, -0.0017147300000000, -0.0046858700000000 ] - [ -0.0002708500000000, 0.0007107000000000, -0.0003287200000000 ] - [ 0.0012036900000000, 0.0000000000000000, 0.0052606800000000 ] - [ -0.0005117100000000, 0.0000000000000000, 0.0017825000000000 ] - [ 0.0006226800000000, 0.0000000000000000, -0.0021965100000000 ] - [ -0.0000089100000000, 0.0000000000000000, -0.0006955000000000 ] - [ -0.0075311200000000, 0.0000000000000000, 0.1716656500000000 ] - [ 0.0002975900000000, 0.0000000000000000, 0.0009971100000000 ] - [ 0.0002130200000000, 0.0000000000000000, -0.0058152700000000 ] - [ -0.0003091800000000, 0.0000000000000000, -0.0020922900000000 ] - [ -0.0133529800000000, -0.0050263400000000, 0.0479934600000000 ] - [ -0.0005094200000000, -0.0003219800000000, 0.0011260300000000 ] - [ 0.0001625300000000, -0.0008703800000000, -0.0035017900000000 ] - [ -0.0013630300000000, -0.0006084100000000, -0.0012756000000000 ] - [ -0.0133529800000000, 0.0050263400000000, 0.0479934600000000 ] - [ -0.0005094200000000, 0.0003219800000000, 0.0011260300000000 ] - [ 0.0001625300000000, 0.0008703800000000, -0.0035017900000000 ] - [ -0.0013630300000000, 0.0006084100000000, -0.0012756000000000 ] - [ 0.0001347900000000, 0.0000000000000000, 0.0008245500000000 ] - [ -0.0015123900000000, 0.0000000000000000, 0.0002384300000000 ] - [ 0.0005340700000000, 0.0000000000000000, -0.0023725500000000 ] - [ -0.0006033300000000, 0.0000000000000000, -0.0007558300000000 ] - [ -0.0027805900000000, 0.0041180100000000, -0.0015554300000000 ] - [ 0.0002476100000000, 0.0008141100000000, 0.0001324900000000 ] - [ 0.0010112000000000, -0.0004794600000000, -0.0009568700000000 ] - [ -0.0009262300000000, 0.0005132700000000, -0.0007990500000000 ] - [ -0.0027805900000000, -0.0041180100000000, -0.0015554300000000 ] - [ 0.0002476100000000, -0.0008141100000000, 0.0001324900000000 ] - [ 0.0010112000000000, 0.0004794600000000, -0.0009568700000000 ] - [ -0.0009262300000000, -0.0005132700000000, -0.0007990500000000 ] - [ 0.0019383800000000, -0.0020615800000000, 0.0018757600000000 ] - [ -0.0074347300000000, -0.0078185000000000, 0.0046753300000000 ] - [ -0.0005848100000000, -0.0002310000000000, -0.0010724400000000 ] - [ 0.0007494000000000, 0.0002795900000000, -0.0018111400000000 ] - [ 0.0019383800000000, 0.0020615800000000, 0.0018757600000000 ] - [ -0.0074347300000000, 0.0078185000000000, 0.0046753300000000 ] - [ -0.0005848100000000, 0.0002310000000000, -0.0010724400000000 ] - [ 0.0007494000000000, -0.0002795900000000, -0.0018111400000000 ] - [ -0.0009030800000000, 0.0000000000000000, -0.0003698500000000 ] - [ 0.0065384600000000, 0.0000000000000000, -0.0059364500000000 ] - [ 0.0011183800000000, 0.0000000000000000, 0.0001090900000000 ] - [ -0.0015742900000000, 0.0000000000000000, -0.0098288300000000 ] - [ 0.0000609100000000, -0.0007477900000000, 0.0019468000000000 ] - [ 0.0017272200000000, -0.0015739400000000, 0.0061113500000000 ] - [ 0.0009308000000000, 0.0001400700000000, -0.0011300100000000 ] - [ 0.0010364300000000, 0.0002291900000000, -0.0022138100000000 ] - [ 0.0000609100000000, 0.0007477900000000, 0.0019468000000000 ] - [ 0.0017272200000000, 0.0015739400000000, 0.0061113500000000 ] - [ 0.0009308000000000, -0.0001400700000000, -0.0011300100000000 ] - [ 0.0010364300000000, -0.0002291900000000, -0.0022138100000000 ] - [ -0.0006039600000000, 0.0000000000000000, 0.0011092000000000 ] - [ 0.0012839700000000, 0.0000000000000000, 0.0033130500000000 ] - [ -0.0005435700000000, 0.0000000000000000, -0.0003921200000000 ] - [ -0.0003452000000000, 0.0000000000000000, -0.0016461000000000 ] - [ -0.0006170300000000, 0.0000000000000000, 0.0008611800000000 ] - [ -0.0641158800000000, 0.0000000000000000, 0.0829881100000000 ] - [ -0.0002135500000000, 0.0000000000000000, -0.0015766000000000 ] - [ 0.0018523900000000, 0.0000000000000000, -0.0057153100000000 ] - [ -0.0001194400000000, -0.0010182600000000, 0.0006699100000000 ] - [ -0.0008751100000000, -0.0042069900000000, 0.0019683800000000 ] - [ -0.0003449800000000, -0.0003893400000000, -0.0008564000000000 ] - [ 0.0009284100000000, -0.0003124900000000, -0.0018310800000000 ] - [ -0.0001194400000000, 0.0010182600000000, 0.0006699100000000 ] - [ -0.0008751100000000, 0.0042069900000000, 0.0019683800000000 ] - [ -0.0003449800000000, 0.0003893400000000, -0.0008564000000000 ] - [ 0.0009284100000000, 0.0003124900000000, -0.0018310800000000 ]- atom: 37 displacement: [ 0.0015728055973509, 0.0000000000000000, -0.0098755396081906 ] forces: - [ 0.0053051100000000, 0.0081759500000000, -0.0002303400000000 ] - [ -0.0011744400000000, 0.0001011500000000, 0.0006696100000000 ] - [ -0.0002556000000000, -0.0004295600000000, -0.0023172500000000 ] - [ 0.0000239200000000, -0.0000807900000000, -0.0003371800000000 ] - [ 0.0053051100000000, -0.0081759500000000, -0.0002303400000000 ] - [ -0.0011744400000000, -0.0001011500000000, 0.0006696100000000 ] - [ -0.0002556000000000, 0.0004295600000000, -0.0023172500000000 ] - [ 0.0000239200000000, 0.0000807900000000, -0.0003371800000000 ] - [ -0.0009662100000000, 0.0000000000000000, 0.0021497400000000 ] - [ -0.0004925700000000, 0.0000000000000000, 0.0011580000000000 ] - [ -0.0001263900000000, 0.0000000000000000, -0.0010402500000000 ] - [ -0.0003488500000000, 0.0000000000000000, -0.0005752700000000 ] - [ 0.0003512300000000, 0.0000000000000000, 0.0049230100000000 ] - [ 0.0028406900000000, 0.0000000000000000, 0.0036714200000000 ] - [ 0.0007140700000000, 0.0000000000000000, -0.0011311400000000 ] - [ -0.0001592900000000, 0.0000000000000000, -0.0022864900000000 ] - [ -0.0012143000000000, 0.0001977500000000, -0.0004901200000000 ] - [ 0.0019732100000000, 0.0020486200000000, -0.0007173800000000 ] - [ 0.0004728300000000, -0.0001650100000000, -0.0004113700000000 ] - [ -0.0005815800000000, -0.0015838100000000, -0.0017633900000000 ] - [ -0.0012143000000000, -0.0001977500000000, -0.0004901200000000 ] - [ 0.0019732100000000, -0.0020486200000000, -0.0007173800000000 ] - [ 0.0004728300000000, 0.0001650100000000, -0.0004113700000000 ] - [ -0.0005815800000000, 0.0015838100000000, -0.0017633900000000 ] - [ 0.0025557800000000, 0.0000000000000000, -0.0014291600000000 ] - [ 0.0004787800000000, 0.0000000000000000, -0.0001656500000000 ] - [ 0.0004764600000000, 0.0000000000000000, -0.0010412800000000 ] - [ -0.0008283300000000, 0.0000000000000000, -0.0002548000000000 ] - [ 0.0013699600000000, 0.0000000000000000, 0.0006902600000000 ] - [ -0.0372312100000000, 0.0000000000000000, -0.0139240700000000 ] - [ -0.0014910500000000, 0.0000000000000000, -0.0020617600000000 ] - [ 0.0015485900000000, 0.0000000000000000, -0.0068681700000000 ] - [ 0.0032425600000000, 0.0000000000000000, 0.0045593800000000 ] - [ -0.0001747700000000, 0.0000000000000000, 0.0006522900000000 ] - [ 0.0015874900000000, 0.0000000000000000, -0.0034710700000000 ] - [ 0.0001755500000000, 0.0000000000000000, -0.0019734900000000 ] - [ -0.0991667700000000, 0.0000000000000000, 0.3963817000000000 ] - [ 0.0011515400000000, 0.0000000000000000, 0.0024488100000000 ] - [ 0.0020583500000000, 0.0000000000000000, -0.0052804500000000 ] - [ 0.0004320600000000, 0.0000000000000000, -0.0016311900000000 ] - [ -0.0110591400000000, -0.0219739100000000, -0.0117392700000000 ] - [ 0.0009042400000000, 0.0012663400000000, 0.0012968100000000 ] - [ 0.0043089200000000, 0.0029612800000000, -0.0033760200000000 ] - [ 0.0001477000000000, 0.0008762400000000, -0.0004145600000000 ] - [ -0.0110591400000000, 0.0219739100000000, -0.0117392700000000 ] - [ 0.0009042400000000, -0.0012663400000000, 0.0012968100000000 ] - [ 0.0043089200000000, -0.0029612800000000, -0.0033760200000000 ] - [ 0.0001477000000000, -0.0008762400000000, -0.0004145600000000 ] - [ -0.0006444300000000, -0.0006830100000000, 0.0019927700000000 ] - [ -0.0018522600000000, -0.0050579900000000, 0.0079264500000000 ] - [ -0.0009531800000000, 0.0021024800000000, -0.0020689000000000 ] - [ 0.0000000600000000, 0.0019246200000000, -0.0033152100000000 ] - [ -0.0006444300000000, 0.0006830100000000, 0.0019927700000000 ] - [ -0.0018522600000000, 0.0050579900000000, 0.0079264500000000 ] - [ -0.0009531800000000, -0.0021024800000000, -0.0020689000000000 ] - [ 0.0000000600000000, -0.0019246200000000, -0.0033152100000000 ] - [ -0.0015316100000000, 0.0000000000000000, 0.0008073600000000 ] - [ 0.0004704300000000, 0.0000000000000000, 0.0042765600000000 ] - [ -0.0013159500000000, 0.0000000000000000, -0.0015671400000000 ] - [ -0.0009896100000000, 0.0000000000000000, -0.0031825600000000 ] - [ -0.0015542500000000, 0.0000000000000000, 0.0019341500000000 ] - [ 0.0236555900000000, 0.0000000000000000, -0.0421103300000000 ] - [ -0.0005115100000000, 0.0000000000000000, -0.0001563800000000 ] - [ 0.0037009100000000, 0.0000000000000000, -0.0070012900000000 ] - [ 0.0022214200000000, 0.0047742300000000, 0.0062309000000000 ] - [ 0.0004009500000000, -0.0005168100000000, -0.0001589600000000 ] - [ -0.0028500900000000, -0.0029416900000000, 0.0049434400000000 ] - [ 0.0004070400000000, -0.0005259500000000, 0.0006098900000000 ] - [ 0.0022214200000000, -0.0047742300000000, 0.0062309000000000 ] - [ 0.0004009500000000, 0.0005168100000000, -0.0001589600000000 ] - [ -0.0028500900000000, 0.0029416900000000, 0.0049434400000000 ] - [ 0.0004070400000000, 0.0005259500000000, 0.0006098900000000 ] - [ -0.0010074500000000, 0.0000000000000000, -0.0043265300000000 ] - [ 0.0006832200000000, 0.0000000000000000, -0.0008762700000000 ] - [ -0.0004391300000000, 0.0000000000000000, 0.0030751400000000 ] - [ 0.0001847100000000, 0.0000000000000000, 0.0015837600000000 ] - [ 0.0089223200000000, 0.0000000000000000, -0.1591228400000000 ] - [ 0.0001514800000000, 0.0000000000000000, -0.0020403600000000 ] - [ 0.0002393600000000, 0.0000000000000000, 0.0047377400000000 ] - [ 0.0007641300000000, 0.0000000000000000, 0.0010289800000000 ] - [ 0.0115281200000000, 0.0043117700000000, -0.0482982500000000 ] - [ -0.0013505500000000, -0.0003316400000000, -0.0013392000000000 ] - [ -0.0020138300000000, 0.0002162900000000, 0.0032612500000000 ] - [ -0.0004957600000000, -0.0000467000000000, 0.0010450000000000 ] - [ 0.0115281200000000, -0.0043117700000000, -0.0482982500000000 ] - [ -0.0013505500000000, 0.0003316400000000, -0.0013392000000000 ] - [ -0.0020138300000000, -0.0002162900000000, 0.0032612500000000 ] - [ -0.0004957600000000, 0.0000467000000000, 0.0010450000000000 ] - [ -0.0014983400000000, 0.0000000000000000, -0.0012819200000000 ] - [ 0.0001388000000000, 0.0000000000000000, -0.0007038800000000 ] - [ -0.0018781100000000, 0.0000000000000000, 0.0018711800000000 ] - [ -0.0007665400000000, 0.0000000000000000, 0.0002826200000000 ] - [ 0.0025017500000000, -0.0027637700000000, 0.0011569600000000 ] - [ -0.0005370800000000, 0.0004570400000000, -0.0004319300000000 ] - [ -0.0012946500000000, 0.0017472800000000, 0.0006477400000000 ] - [ 0.0006322400000000, 0.0007606300000000, 0.0004907200000000 ] - [ 0.0025017500000000, 0.0027637700000000, 0.0011569600000000 ] - [ -0.0005370800000000, -0.0004570400000000, -0.0004319300000000 ] - [ -0.0012946500000000, -0.0017472800000000, 0.0006477400000000 ] - [ 0.0006322400000000, -0.0007606300000000, 0.0004907200000000 ] - [ -0.0016317400000000, 0.0007784100000000, -0.0015544700000000 ] - [ 0.0076790500000000, 0.0064823800000000, -0.0043580200000000 ] - [ 0.0008717500000000, -0.0010438200000000, 0.0013665400000000 ] - [ -0.0004579100000000, -0.0015463500000000, 0.0021020500000000 ] - [ -0.0016317400000000, -0.0007784100000000, -0.0015544700000000 ] - [ 0.0076790500000000, -0.0064823800000000, -0.0043580200000000 ] - [ 0.0008717500000000, 0.0010438200000000, 0.0013665400000000 ] - [ -0.0004579100000000, 0.0015463500000000, 0.0021020500000000 ] - [ 0.0022533200000000, 0.0000000000000000, 0.0008253100000000 ] - [ -0.0051401900000000, 0.0000000000000000, 0.0063134900000000 ] - [ 0.0002516300000000, 0.0000000000000000, 0.0003625400000000 ] - [ 0.0029572700000000, 0.0000000000000000, 0.0103257000000000 ] - [ 0.0017844100000000, 0.0000940200000000, -0.0017071200000000 ] - [ 0.0001419400000000, 0.0009070800000000, -0.0058512800000000 ] - [ 0.0009268400000000, -0.0007903300000000, 0.0013428600000000 ] - [ 0.0008201700000000, -0.0008787300000000, 0.0024240500000000 ] - [ 0.0017844100000000, -0.0000940200000000, -0.0017071200000000 ] - [ 0.0001419400000000, -0.0009070800000000, -0.0058512800000000 ] - [ 0.0009268400000000, 0.0007903300000000, 0.0013428600000000 ] - [ 0.0008201700000000, 0.0008787300000000, 0.0024240500000000 ] - [ 0.0001452700000000, 0.0000000000000000, -0.0000558600000000 ] - [ -0.0017079200000000, 0.0000000000000000, -0.0022428600000000 ] - [ 0.0000865900000000, 0.0000000000000000, 0.0014332500000000 ] - [ -0.0001110400000000, 0.0000000000000000, 0.0026833000000000 ] - [ 0.0004257900000000, 0.0000000000000000, -0.0017463100000000 ] - [ 0.0683161700000000, 0.0000000000000000, -0.0851856700000000 ] - [ 0.0000371300000000, 0.0000000000000000, 0.0006719300000000 ] - [ -0.0020247800000000, 0.0000000000000000, 0.0047957900000000 ] - [ -0.0000190400000000, -0.0002210000000000, -0.0009474500000000 ] - [ 0.0007380500000000, 0.0029437600000000, -0.0022356800000000 ] - [ 0.0002039900000000, -0.0008457700000000, 0.0005636300000000 ] - [ -0.0010608200000000, -0.0009250400000000, 0.0015381900000000 ] - [ -0.0000190400000000, 0.0002210000000000, -0.0009474500000000 ] - [ 0.0007380500000000, -0.0029437600000000, -0.0022356800000000 ] - [ 0.0002039900000000, 0.0008457700000000, 0.0005636300000000 ] - [ -0.0010608200000000, 0.0009250400000000, 0.0015381900000000 ]- atom: 41 displacement: [ 0.0099999999923824, 0.0000000000000000, -0.0000003903221875 ] forces: - [ -0.0003311000000000, -0.0000450400000000, -0.0017205300000000 ] - [ 0.0004581900000000, -0.0001087500000000, 0.0003007900000000 ] - [ -0.0038332300000000, -0.0033778600000000, -0.0030623600000000 ] - [ 0.0008061200000000, -0.0001392200000000, 0.0003231800000000 ] - [ -0.0003336500000000, -0.0000060700000000, -0.0001038700000000 ] - [ 0.0002950200000000, 0.0001186700000000, 0.0002348100000000 ] - [ -0.0010974600000000, 0.0018314600000000, -0.0005161700000000 ] - [ 0.0006090000000000, 0.0001203100000000, 0.0003059500000000 ] - [ 0.0005710800000000, 0.0036516400000000, -0.0028422300000000 ] - [ 0.0003735800000000, -0.0002215900000000, 0.0002833700000000 ] - [ -0.0006753700000000, -0.0000095700000000, 0.0004584800000000 ] - [ 0.0001522800000000, -0.0000394100000000, 0.0001136300000000 ] - [ 0.0027613600000000, -0.0033392300000000, -0.0028684400000000 ] - [ 0.0020211600000000, 0.0004487600000000, 0.0010782100000000 ] - [ -0.0003156600000000, -0.0000459500000000, -0.0002708100000000 ] - [ 0.0008241400000000, 0.0000571600000000, -0.0005735600000000 ] - [ 0.0005160100000000, 0.0001695400000000, -0.0000077700000000 ] - [ 0.0008094400000000, 0.0011792000000000, -0.0000407600000000 ] - [ -0.0000227900000000, -0.0000158600000000, -0.0003255300000000 ] - [ 0.0001638600000000, -0.0000370600000000, -0.0003341300000000 ] - [ 0.0075152000000000, 0.0016115300000000, 0.0018686100000000 ] - [ 0.0069090500000000, -0.0032001000000000, -0.0008795000000000 ] - [ -0.0000072500000000, 0.0000200400000000, -0.0003836800000000 ] - [ 0.0001563100000000, 0.0000311600000000, -0.0003223300000000 ] - [ -0.0182766100000000, 0.0065544200000000, 0.0031640100000000 ] - [ 0.0022963000000000, -0.0001669500000000, 0.0004876400000000 ] - [ -0.0000713000000000, 0.0000305700000000, -0.0008105200000000 ] - [ 0.0008435900000000, -0.0000181500000000, 0.0000149000000000 ] - [ 0.0005035000000000, -0.0004904400000000, -0.0007796900000000 ] - [ -0.0022096000000000, 0.0005323100000000, 0.0008736700000000 ] - [ -0.0003862700000000, -0.0009739600000000, 0.0024257100000000 ] - [ 0.0038971300000000, 0.0015836500000000, -0.0052430500000000 ] - [ -0.0006278700000000, -0.0000911300000000, -0.0015061300000000 ] - [ 0.0013648000000000, 0.0003683400000000, -0.0012486600000000 ] - [ -0.0046023400000000, -0.0019894400000000, -0.0010419600000000 ] - [ 0.0015814700000000, 0.0006352000000000, -0.0004665200000000 ] - [ -0.0164592900000000, -0.0076657400000000, 0.0092496500000000 ] - [ 0.0026549400000000, 0.0001036600000000, 0.0002610900000000 ] - [ 0.0001961400000000, -0.0000779400000000, -0.0035911600000000 ] - [ 0.0014384900000000, -0.0000056000000000, 0.0008268600000000 ] - [ -0.3286581500000000, -0.1334824400000000, 0.1144504600000000 ] - [ 0.0023207200000000, 0.0018129700000000, 0.0002392700000000 ] - [ 0.0006043900000000, 0.0004963600000000, -0.0004178800000000 ] - [ 0.0009749900000000, 0.0013176100000000, 0.0005306600000000 ] - [ -0.0098087600000000, 0.0047306300000000, 0.0058019600000000 ] - [ 0.0018705400000000, -0.0014800000000000, 0.0002681700000000 ] - [ 0.0006388000000000, -0.0006055300000000, -0.0002471900000000 ] - [ 0.0009278700000000, -0.0012842400000000, 0.0005195400000000 ] - [ -0.0003647600000000, 0.0015496700000000, -0.0015050200000000 ] - [ -0.0012032900000000, 0.0014945700000000, 0.0005184800000000 ] - [ -0.0008817900000000, 0.0015750600000000, -0.0001326400000000 ] - [ -0.0008093300000000, 0.0023251400000000, -0.0012937500000000 ] - [ 0.0002818100000000, -0.0020068900000000, -0.0029759400000000 ] - [ -0.0017713800000000, -0.0007972600000000, 0.0026911500000000 ] - [ -0.0006129000000000, -0.0011632400000000, 0.0008952200000000 ] - [ 0.0003226500000000, -0.0017008600000000, -0.0024239100000000 ] - [ 0.0006844100000000, 0.0014560100000000, 0.0000152500000000 ] - [ -0.0028864300000000, -0.0026729800000000, 0.0006827100000000 ] - [ -0.0008149300000000, 0.0002345400000000, 0.0000872200000000 ] - [ -0.0017157700000000, -0.0002948800000000, -0.0010243500000000 ] - [ 0.0024634500000000, -0.0000560400000000, 0.0001311200000000 ] - [ 0.0252754100000000, 0.0370847100000000, 0.0063643100000000 ] - [ -0.0000575700000000, 0.0000084700000000, 0.0008967600000000 ] - [ -0.0004887100000000, 0.0000027900000000, -0.0003760400000000 ] - [ 0.1392827300000000, 0.0576596000000000, -0.0857085600000000 ] - [ -0.0016065300000000, -0.0011363400000000, 0.0003596400000000 ] - [ 0.0001878200000000, -0.0004153200000000, 0.0007665800000000 ] - [ -0.0002328200000000, -0.0007053200000000, 0.0002019000000000 ] - [ 0.0051764900000000, -0.0143873100000000, -0.0036650800000000 ] - [ -0.0014961100000000, 0.0012867600000000, 0.0003439300000000 ] - [ 0.0001480600000000, 0.0004491500000000, 0.0007078500000000 ] - [ -0.0001985600000000, 0.0007117000000000, 0.0001860900000000 ] - [ 0.0029528400000000, -0.0002569100000000, 0.0012860900000000 ] - [ -0.0010996200000000, -0.0003153000000000, 0.0007972500000000 ] - [ 0.0014867100000000, 0.0003576600000000, 0.0002995900000000 ] - [ -0.0002553800000000, -0.0001633000000000, 0.0000636300000000 ] - [ 0.0047720400000000, 0.0038508600000000, 0.0034341000000000 ] - [ -0.0004318500000000, 0.0000517700000000, -0.0005989700000000 ] - [ -0.0002563600000000, -0.0011347900000000, 0.0041795000000000 ] - [ -0.0004111500000000, 0.0000709000000000, -0.0013503700000000 ] - [ 0.0694668800000000, -0.0151186300000000, -0.0520748700000000 ] - [ -0.0020812500000000, -0.0005264000000000, -0.0001705700000000 ] - [ -0.0004336200000000, 0.0003504600000000, 0.0012841000000000 ] - [ -0.0013302100000000, -0.0004174500000000, -0.0001677700000000 ] - [ 0.0029308100000000, 0.0024676300000000, -0.0016410000000000 ] - [ -0.0019389400000000, 0.0003975000000000, -0.0001533600000000 ] - [ -0.0003917900000000, -0.0004459400000000, 0.0011899200000000 ] - [ -0.0012966200000000, 0.0004071900000000, -0.0001724600000000 ] - [ -0.0000301700000000, -0.0002035500000000, 0.0005156000000000 ] - [ -0.0014257900000000, -0.0000234500000000, -0.0000567100000000 ] - [ 0.0051094100000000, -0.0012552300000000, -0.0050943400000000 ] - [ -0.0016231900000000, -0.0000633700000000, -0.0003108600000000 ] - [ 0.0034659700000000, -0.0097107200000000, 0.0001562600000000 ] - [ -0.0012298100000000, 0.0005840800000000, -0.0002748500000000 ] - [ 0.0001670500000000, 0.0002501800000000, 0.0002596800000000 ] - [ -0.0004487600000000, 0.0006175900000000, -0.0001463100000000 ] - [ 0.1037761800000000, 0.0763741700000000, 0.0225569900000000 ] - [ -0.0017100800000000, -0.0004967200000000, -0.0003130000000000 ] - [ 0.0002274000000000, -0.0002512400000000, 0.0003234000000000 ] - [ -0.0004934800000000, -0.0006056600000000, -0.0001583500000000 ] - [ 0.0001281900000000, -0.0006607600000000, 0.0005915500000000 ] - [ 0.0002906800000000, -0.0008185200000000, -0.0006161000000000 ] - [ 0.0008889500000000, -0.0006584700000000, -0.0001542500000000 ] - [ -0.0007415100000000, -0.0020591000000000, 0.0011111000000000 ] - [ -0.0001952200000000, 0.0013484900000000, 0.0011292800000000 ] - [ 0.0001318000000000, 0.0002976800000000, -0.0009467300000000 ] - [ 0.0006622900000000, 0.0013558300000000, -0.0011771200000000 ] - [ -0.0009580900000000, 0.0014094800000000, 0.0011866500000000 ] - [ -0.0019111600000000, 0.0014879600000000, -0.0009161400000000 ] - [ -0.0058845300000000, -0.0037277700000000, 0.0022239700000000 ] - [ 0.0004898100000000, 0.0000743900000000, 0.0006163200000000 ] - [ 0.0007500500000000, -0.0001163200000000, 0.0007926900000000 ] - [ 0.0004416200000000, -0.0009790900000000, 0.0006541500000000 ] - [ 0.0012139200000000, -0.0004539600000000, -0.0004854600000000 ] - [ 0.0009959200000000, -0.0003988400000000, -0.0001562900000000 ] - [ 0.0009695700000000, -0.0007399700000000, 0.0007936500000000 ] - [ -0.0012243600000000, -0.0003285900000000, 0.0017834400000000 ] - [ 0.0006519200000000, 0.0018631000000000, -0.0023121900000000 ] - [ 0.0010283900000000, -0.0000018900000000, -0.0005495400000000 ] - [ 0.0007712100000000, 0.0009973600000000, 0.0014921100000000 ] - [ -0.0018526000000000, -0.0005161400000000, 0.0000408600000000 ] - [ 0.0056197300000000, 0.0018783800000000, 0.0016240700000000 ] - [ -0.0004213200000000, -0.0000497800000000, 0.0003758900000000 ] - [ 0.0001233900000000, 0.0000555000000000, 0.0011341300000000 ] - [ -0.0015390300000000, 0.0001776600000000, 0.0000081900000000 ] - [ 0.0048776000000000, -0.0040703900000000, -0.0132115200000000 ] - [ -0.0002997000000000, 0.0000352300000000, -0.0005866500000000 ] - [ -0.0003851300000000, -0.0000095400000000, 0.0012743400000000 ] - [ -0.0004812200000000, -0.0006208700000000, 0.0002398400000000 ] - [ 0.0006709400000000, -0.0008979700000000, -0.0001888900000000 ] - [ -0.0002732100000000, -0.0008751700000000, -0.0005893800000000 ] - [ 0.0008386200000000, -0.0012874100000000, 0.0001822200000000 ] - [ -0.0010408600000000, 0.0002943900000000, 0.0007683600000000 ] - [ 0.0013679400000000, 0.0009993100000000, -0.0006494100000000 ] - [ -0.0008151400000000, 0.0003834700000000, -0.0011532700000000 ] - [ -0.0003773800000000, 0.0028313600000000, 0.0017886900000000 ]- atom: 41 displacement: [ -0.0099999999923824, 0.0000000000000000, 0.0000003903221875 ] forces: - [ 0.0001708300000000, -0.0000529800000000, 0.0020756400000000 ] - [ -0.0006293600000000, 0.0000028600000000, 0.0000807500000000 ] - [ 0.0036472800000000, 0.0032755800000000, 0.0034576800000000 ] - [ -0.0009777900000000, 0.0000331900000000, 0.0000530500000000 ] - [ 0.0001657500000000, 0.0001085400000000, 0.0004684100000000 ] - [ -0.0004656000000000, -0.0000111500000000, 0.0001360700000000 ] - [ 0.0009249700000000, -0.0017289100000000, 0.0008910000000000 ] - [ -0.0007794800000000, -0.0000127100000000, 0.0000611200000000 ] - [ -0.0011957900000000, -0.0036612900000000, 0.0031804900000000 ] - [ -0.0010176000000000, 0.0002196900000000, 0.0000542000000000 ] - [ 0.0000293500000000, 0.0000100400000000, -0.0001220600000000 ] - [ -0.0008001000000000, 0.0000394200000000, 0.0002205400000000 ] - [ -0.0021105900000000, 0.0033732700000000, 0.0025580600000000 ] - [ -0.0013659000000000, -0.0004450900000000, -0.0014077500000000 ] - [ 0.0009654800000000, 0.0000458700000000, -0.0000634300000000 ] - [ -0.0001788400000000, -0.0000571600000000, 0.0002359700000000 ] - [ -0.0003346100000000, -0.0002726400000000, -0.0003608100000000 ] - [ -0.0006393200000000, -0.0012892600000000, -0.0003331700000000 ] - [ 0.0001947700000000, -0.0000912300000000, -0.0000435100000000 ] - [ 0.0000046700000000, -0.0000713200000000, -0.0000366500000000 ] - [ -0.0074324500000000, -0.0015349600000000, -0.0022835400000000 ] - [ -0.0066717800000000, 0.0032866300000000, 0.0004772600000000 ] - [ 0.0001805000000000, 0.0000858200000000, 0.0000049900000000 ] - [ 0.0000129000000000, 0.0000758700000000, -0.0000580700000000 ] - [ 0.0186928600000000, -0.0065388000000000, -0.0029814000000000 ] - [ -0.0017452100000000, 0.0001649500000000, -0.0003232000000000 ] - [ 0.0006242300000000, -0.0000294400000000, 0.0009723100000000 ] - [ -0.0002838200000000, 0.0000183000000000, 0.0001551600000000 ] - [ -0.0010479500000000, 0.0004912100000000, 0.0006154800000000 ] - [ 0.0016250800000000, -0.0005284300000000, -0.0010357700000000 ] - [ -0.0001555700000000, 0.0009756400000000, -0.0026149000000000 ] - [ -0.0044724200000000, -0.0015883100000000, 0.0050611100000000 ] - [ 0.0014341000000000, 0.0000965000000000, -0.0001731100000000 ] - [ -0.0005504400000000, -0.0003712200000000, -0.0004224900000000 ] - [ 0.0054011200000000, 0.0019860700000000, -0.0006347800000000 ] - [ -0.0007622800000000, -0.0006386400000000, -0.0012107600000000 ] - [ 0.0182193500000000, 0.0076190500000000, -0.0088106400000000 ] - [ -0.0006430100000000, -0.0001020300000000, 0.0001846100000000 ] - [ 0.0018186800000000, 0.0000786900000000, 0.0040351500000000 ] - [ 0.0005749200000000, 0.0000058100000000, -0.0003920500000000 ] - [ 0.3250337100000000, 0.1349784200000000, -0.1059504900000000 ] - [ -0.0009634200000000, 0.0006082800000000, 0.0009697400000000 ] - [ 0.0007569400000000, 0.0019272800000000, 0.0016225400000000 ] - [ 0.0003828300000000, 0.0011022400000000, 0.0006758700000000 ] - [ 0.0111351900000000, -0.0071527000000000, -0.0045715900000000 ] - [ -0.0005133400000000, -0.0009401000000000, 0.0009415000000000 ] - [ 0.0007222200000000, -0.0018178000000000, 0.0014524000000000 ] - [ 0.0004301000000000, -0.0011355000000000, 0.0006866700000000 ] - [ -0.0009895600000000, 0.0008671300000000, 0.0003000500000000 ] - [ -0.0001652900000000, 0.0009199100000000, -0.0017075300000000 ] - [ -0.0004737800000000, 0.0008444900000000, -0.0010730200000000 ] - [ -0.0005510900000000, 0.0000967400000000, 0.0000854800000000 ] - [ -0.0016367700000000, -0.0003997700000000, 0.0017858600000000 ] - [ 0.0003897700000000, -0.0016097500000000, -0.0038573100000000 ] - [ -0.0007395500000000, -0.0012564200000000, -0.0021041500000000 ] - [ -0.0016790800000000, -0.0007178200000000, 0.0012124500000000 ] - [ -0.0026982900000000, -0.0014692500000000, -0.0004513700000000 ] - [ 0.0008437700000000, 0.0026547900000000, -0.0010759900000000 ] - [ -0.0011955800000000, -0.0002350700000000, -0.0005246700000000 ] - [ -0.0003002900000000, 0.0002939100000000, 0.0005818200000000 ] - [ -0.0032935600000000, 0.0000556800000000, 0.0015571300000000 ] - [ -0.0260379500000000, -0.0367424100000000, -0.0049605400000000 ] - [ -0.0007555000000000, -0.0000081700000000, 0.0007786000000000 ] - [ -0.0003254700000000, -0.0000037900000000, 0.0020465100000000 ] - [ -0.1343250600000000, -0.0547999000000000, 0.0800223700000000 ] - [ 0.0017461100000000, -0.0001006300000000, -0.0000830000000000 ] - [ -0.0000531100000000, -0.0008216000000000, -0.0004870100000000 ] - [ 0.0003696000000000, -0.0005312600000000, 0.0000730600000000 ] - [ -0.0050163500000000, 0.0156051100000000, 0.0039611000000000 ] - [ 0.0016389900000000, -0.0000542900000000, -0.0000707700000000 ] - [ -0.0000141300000000, 0.0007883000000000, -0.0004290700000000 ] - [ 0.0003352700000000, 0.0005241600000000, 0.0000897200000000 ] - [ -0.0027512600000000, 0.0002474200000000, -0.0003988900000000 ] - [ 0.0012723300000000, 0.0003183600000000, 0.0000902600000000 ] - [ -0.0013094800000000, -0.0003566700000000, 0.0005909400000000 ] - [ 0.0004249500000000, 0.0001640400000000, 0.0008291300000000 ] - [ -0.0042479100000000, -0.0038072200000000, -0.0044226900000000 ] - [ 0.0008810800000000, -0.0000523500000000, -0.0004648700000000 ] - [ 0.0007202600000000, 0.0011402400000000, -0.0052480700000000 ] - [ 0.0008713300000000, -0.0000709700000000, 0.0003003100000000 ] - [ -0.0704957900000000, 0.0142435600000000, 0.0517584100000000 ] - [ 0.0002177600000000, -0.0001268900000000, -0.0000527300000000 ] - [ -0.0014289600000000, -0.0010002200000000, -0.0015062000000000 ] - [ -0.0005309600000000, -0.0002330500000000, -0.0000514400000000 ] - [ -0.0047691300000000, -0.0017600000000000, 0.0014206200000000 ] - [ 0.0000776300000000, 0.0002536500000000, -0.0000695700000000 ] - [ -0.0014711100000000, 0.0010962500000000, -0.0014118300000000 ] - [ -0.0005647400000000, 0.0002434300000000, -0.0000462400000000 ] - [ -0.0013342800000000, 0.0001995900000000, -0.0009718100000000 ] - [ 0.0000610800000000, 0.0000238500000000, -0.0004071000000000 ] - [ -0.0064505200000000, 0.0012484200000000, 0.0046107900000000 ] - [ 0.0002550700000000, 0.0000637200000000, -0.0001525400000000 ] - [ -0.0037521000000000, 0.0109154200000000, -0.0004649000000000 ] - [ 0.0009440000000000, 0.0006825400000000, -0.0000293200000000 ] - [ -0.0004527100000000, 0.0010218600000000, -0.0005673100000000 ] - [ 0.0001671300000000, 0.0006523500000000, -0.0001598600000000 ] - [ -0.1045989500000000, -0.0808505600000000, -0.0239338900000000 ] - [ 0.0014208100000000, -0.0007681000000000, 0.0000088400000000 ] - [ -0.0005129500000000, -0.0010216800000000, -0.0006312500000000 ] - [ 0.0002113200000000, -0.0006648300000000, -0.0001485000000000 ] - [ 0.0001524300000000, -0.0006031700000000, -0.0002878300000000 ] - [ 0.0000035100000000, -0.0004443400000000, 0.0009151500000000 ] - [ -0.0006124500000000, -0.0006148600000000, 0.0004609200000000 ] - [ 0.0010288100000000, 0.0007901600000000, -0.0008005800000000 ] - [ 0.0004708600000000, -0.0000891600000000, -0.0008294300000000 ] - [ 0.0001603400000000, 0.0009633700000000, 0.0012429900000000 ] - [ -0.0003899400000000, -0.0000822100000000, 0.0014852800000000 ] - [ 0.0012446200000000, -0.0001433800000000, -0.0008764600000000 ] - [ 0.0032913300000000, -0.0015038300000000, 0.0013877900000000 ] - [ 0.0072908800000000, 0.0037048700000000, -0.0017034000000000 ] - [ 0.0008718800000000, -0.0000741000000000, -0.0001477100000000 ] - [ 0.0006203500000000, 0.0001156300000000, -0.0003233900000000 ] - [ 0.0014138600000000, 0.0003343100000000, -0.0004358400000000 ] - [ 0.0006525900000000, -0.0001877700000000, 0.0006858400000000 ] - [ 0.0008639300000000, -0.0002511100000000, 0.0003752700000000 ] - [ 0.0008938500000000, 0.0000892800000000, -0.0005715600000000 ] - [ 0.0030935800000000, 0.0009844100000000, -0.0015802200000000 ] - [ 0.0012090700000000, -0.0012044900000000, 0.0024958000000000 ] - [ 0.0008311700000000, 0.0006527000000000, 0.0007701700000000 ] - [ 0.0010900900000000, -0.0003468300000000, -0.0012666900000000 ] - [ 0.0014035200000000, 0.0005223100000000, 0.0010140700000000 ] - [ -0.0060505700000000, -0.0018320900000000, -0.0005665400000000 ] - [ -0.0000412500000000, 0.0000500900000000, 0.0006773800000000 ] - [ -0.0005829200000000, -0.0000554500000000, -0.0000755800000000 ] - [ 0.0013688700000000, -0.0001799200000000, -0.0009056200000000 ] - [ -0.0050105400000000, 0.0040120300000000, 0.0122933200000000 ] - [ 0.0001283500000000, -0.0000354400000000, -0.0003029200000000 ] - [ 0.0002160500000000, 0.0000095000000000, -0.0021657600000000 ] - [ 0.0003429000000000, -0.0006131800000000, -0.0005161400000000 ] - [ -0.0007978500000000, -0.0003377300000000, -0.0000905000000000 ] - [ 0.0001319900000000, -0.0003588200000000, 0.0003119900000000 ] - [ -0.0009689700000000, 0.0000523000000000, -0.0004551100000000 ] - [ 0.0009063600000000, 0.0009407600000000, -0.0010495600000000 ] - [ -0.0014850200000000, 0.0002351800000000, 0.0003690600000000 ] - [ 0.0006749400000000, 0.0008534600000000, 0.0008824200000000 ] - [ 0.0002452600000000, -0.0015923100000000, -0.0020542900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006869200000000, -0.0021839200000000, 0.0030556600000000 ] - [ 0.0001886900000000, -0.0002889900000000, 0.0002578800000000 ] - [ -0.0031311900000000, -0.0048453100000000, 0.0004268100000000 ] - [ 0.0005182300000000, -0.0003713900000000, 0.0002365500000000 ] - [ -0.0004613400000000, 0.0014606200000000, 0.0007701200000000 ] - [ 0.0001617400000000, 0.0002879700000000, 0.0002523300000000 ] - [ -0.0006043100000000, 0.0023100000000000, -0.0002523300000000 ] - [ 0.0002847000000000, 0.0003234300000000, 0.0001820300000000 ] - [ 0.0024119100000000, 0.0042695000000000, -0.0061892400000000 ] - [ -0.0004978500000000, -0.0000433100000000, -0.0001404000000000 ] - [ -0.0003737700000000, 0.0000621400000000, 0.0013695500000000 ] - [ -0.0000908400000000, -0.0000164800000000, 0.0003355000000000 ] - [ -0.0045905000000000, 0.0018958000000000, 0.0009852300000000 ] - [ 0.0021452000000000, 0.0001062200000000, 0.0004820300000000 ] - [ -0.0001031500000000, -0.0001259900000000, 0.0000317500000000 ] - [ 0.0006602500000000, 0.0000312000000000, -0.0001118000000000 ] - [ 0.0007642100000000, 0.0018360400000000, -0.0004378700000000 ] - [ 0.0001145100000000, 0.0022740900000000, -0.0002445100000000 ] - [ -0.0000457800000000, 0.0001211200000000, 0.0000257600000000 ] - [ 0.0001796700000000, 0.0002835500000000, -0.0000044700000000 ] - [ 0.0061487400000000, -0.0033934800000000, -0.0004688000000000 ] - [ 0.0011231600000000, -0.0036816800000000, 0.0003657100000000 ] - [ -0.0000876400000000, -0.0001466100000000, 0.0001278400000000 ] - [ 0.0002113000000000, -0.0002774100000000, 0.0000333800000000 ] - [ -0.0170402800000000, 0.0395173100000000, 0.0148881600000000 ] - [ 0.0020030400000000, 0.0000298300000000, 0.0001943000000000 ] - [ 0.0003661400000000, -0.0001128100000000, 0.0001186400000000 ] - [ 0.0007410200000000, -0.0000144500000000, 0.0003909200000000 ] - [ -0.0010880500000000, 0.0004204600000000, 0.0004842200000000 ] - [ 0.0033002700000000, 0.0001195400000000, 0.0031950300000000 ] - [ -0.0000607400000000, -0.0013216300000000, -0.0015475700000000 ] - [ 0.0026375100000000, 0.0011107500000000, -0.0043299900000000 ] - [ -0.0000093900000000, -0.0008671800000000, -0.0059536400000000 ] - [ 0.0004871200000000, 0.0000701300000000, -0.0015108900000000 ] - [ -0.0071338200000000, -0.0014570800000000, 0.0013680100000000 ] - [ 0.0018066300000000, 0.0011765700000000, -0.0000920700000000 ] - [ 0.0046290300000000, 0.0270252600000000, 0.0243347700000000 ] - [ 0.0010017000000000, -0.0000227400000000, 0.0001609200000000 ] - [ 0.0002906800000000, -0.0000947100000000, -0.0016689700000000 ] - [ 0.0013359300000000, -0.0000364700000000, 0.0006111000000000 ] - [ -0.1307092300000000, -0.4097618200000000, -0.0996152800000000 ] - [ 0.0012812100000000, 0.0005248000000000, -0.0001122300000000 ] - [ -0.0000340200000000, 0.0004050000000000, 0.0010851400000000 ] - [ 0.0007870700000000, 0.0011450300000000, 0.0008966100000000 ] - [ -0.0052512700000000, 0.0134878000000000, -0.0038682800000000 ] - [ 0.0009487900000000, -0.0002649700000000, 0.0000186700000000 ] - [ 0.0000752900000000, -0.0004239300000000, 0.0009247100000000 ] - [ 0.0007538400000000, -0.0011184800000000, 0.0008632100000000 ] - [ -0.0010215800000000, 0.0028488200000000, -0.0019065600000000 ] - [ -0.0009647700000000, 0.0041631800000000, -0.0015326600000000 ] - [ -0.0010463300000000, 0.0023991900000000, -0.0000036800000000 ] - [ -0.0017893400000000, 0.0028344400000000, -0.0002480500000000 ] - [ -0.0014803100000000, -0.0042991000000000, -0.0030786800000000 ] - [ -0.0002763700000000, -0.0041477300000000, -0.0016870200000000 ] - [ -0.0006320700000000, -0.0019209400000000, 0.0019341600000000 ] - [ -0.0011699400000000, -0.0025166700000000, -0.0009148500000000 ] - [ 0.0001374100000000, 0.0008123300000000, -0.0019637600000000 ] - [ -0.0064302300000000, 0.0011010800000000, -0.0074312300000000 ] - [ -0.0006911300000000, 0.0004446000000000, 0.0007371700000000 ] - [ -0.0022577700000000, -0.0001348800000000, 0.0003072400000000 ] - [ -0.0009374000000000, -0.0003083700000000, 0.0006237600000000 ] - [ 0.0213793800000000, 0.0256688000000000, -0.0098025800000000 ] - [ -0.0006743700000000, -0.0000137100000000, 0.0013648800000000 ] - [ -0.0008999500000000, 0.0001436500000000, 0.0013443000000000 ] - [ 0.0532941900000000, 0.0874316800000000, -0.0387607900000000 ] - [ -0.0002505400000000, -0.0000118900000000, 0.0004450200000000 ] - [ 0.0004811000000000, -0.0001657900000000, -0.0005664200000000 ] - [ 0.0000450300000000, -0.0005491300000000, -0.0000741900000000 ] - [ 0.0022457700000000, -0.0071718900000000, 0.0013271900000000 ] - [ 0.0000747900000000, 0.0001916600000000, 0.0003311400000000 ] - [ 0.0005201600000000, 0.0000471900000000, -0.0003770100000000 ] - [ 0.0000563700000000, 0.0005585600000000, -0.0000797700000000 ] - [ 0.0023461700000000, -0.0015273800000000, 0.0069329200000000 ] - [ -0.0005137600000000, -0.0001265300000000, 0.0013683900000000 ] - [ 0.0022770200000000, 0.0002524300000000, -0.0014765500000000 ] - [ -0.0002605900000000, -0.0003134800000000, -0.0003246000000000 ] - [ -0.0015783100000000, -0.0034687500000000, -0.0069143900000000 ] - [ 0.0003192400000000, -0.0000474200000000, -0.0005335400000000 ] - [ 0.0000757400000000, -0.0006379100000000, 0.0023026500000000 ] - [ -0.0001306400000000, 0.0001710700000000, -0.0005640900000000 ] - [ -0.0134911200000000, 0.0865817300000000, 0.0720669400000000 ] - [ -0.0013483000000000, 0.0001264100000000, 0.0003021400000000 ] - [ -0.0003516100000000, 0.0001525200000000, 0.0000240800000000 ] - [ -0.0011577900000000, -0.0003078600000000, -0.0003363700000000 ] - [ 0.0006014900000000, -0.0079379800000000, 0.0017234200000000 ] - [ -0.0012807800000000, -0.0001481700000000, 0.0002398600000000 ] - [ -0.0004018700000000, -0.0002168700000000, 0.0001480600000000 ] - [ -0.0011387900000000, 0.0003306700000000, -0.0003292300000000 ] - [ -0.0010561900000000, 0.0003394600000000, 0.0009861300000000 ] - [ -0.0008865400000000, 0.0000013600000000, -0.0001381600000000 ] - [ 0.0061355100000000, -0.0033220400000000, -0.0079335300000000 ] - [ -0.0015512500000000, -0.0001843300000000, -0.0002578100000000 ] - [ 0.0022316500000000, -0.0137659000000000, 0.0026305800000000 ] - [ -0.0004183900000000, -0.0002747400000000, 0.0000473700000000 ] - [ 0.0001041100000000, 0.0000606200000000, -0.0002221400000000 ] - [ -0.0003527300000000, 0.0004796300000000, -0.0003236700000000 ] - [ 0.0784138800000000, 0.1800292200000000, 0.0458640400000000 ] - [ -0.0006408900000000, 0.0001904700000000, 0.0000073600000000 ] - [ 0.0001225200000000, 0.0000050500000000, -0.0003063900000000 ] - [ -0.0003806700000000, -0.0004835200000000, -0.0003311300000000 ] - [ 0.0010430600000000, -0.0017697800000000, 0.0001976500000000 ] - [ -0.0006983900000000, -0.0028639100000000, -0.0000698600000000 ] - [ 0.0005726100000000, -0.0014090200000000, 0.0003902900000000 ] - [ -0.0001380700000000, -0.0022748700000000, 0.0008840000000000 ] - [ 0.0023575400000000, 0.0019444900000000, -0.0001210300000000 ] - [ -0.0006400300000000, 0.0025622200000000, -0.0000616100000000 ] - [ -0.0001888800000000, 0.0029363700000000, -0.0010239100000000 ] - [ -0.0002712000000000, 0.0018964900000000, 0.0009003300000000 ] - [ 0.0019634200000000, 0.0007261300000000, 0.0013522700000000 ] - [ -0.0045296700000000, -0.0033677700000000, 0.0035459000000000 ] - [ 0.0010159800000000, -0.0000487600000000, -0.0002047200000000 ] - [ 0.0003933800000000, -0.0000148600000000, -0.0008234400000000 ] - [ 0.0005294700000000, -0.0016127800000000, 0.0013938200000000 ] - [ 0.0021795600000000, -0.0029703300000000, 0.0025375400000000 ] - [ 0.0008488300000000, -0.0006755400000000, -0.0003041100000000 ] - [ 0.0013510700000000, -0.0007624700000000, 0.0000006900000000 ] - [ -0.0005675900000000, 0.0017363600000000, 0.0031544600000000 ] - [ 0.0020011600000000, 0.0028620300000000, 0.0022171500000000 ] - [ 0.0008987600000000, 0.0000322200000000, -0.0009834000000000 ] - [ 0.0012692300000000, 0.0009057800000000, 0.0003790700000000 ] - [ -0.0024655600000000, -0.0006901400000000, 0.0010560000000000 ] - [ 0.0083475300000000, -0.0038858100000000, 0.0038849400000000 ] - [ -0.0004352400000000, -0.0000724800000000, -0.0001244900000000 ] - [ 0.0000244600000000, 0.0000471600000000, 0.0001626500000000 ] - [ 0.0003504300000000, 0.0000574900000000, -0.0000703800000000 ] - [ -0.0062902900000000, -0.0068090900000000, -0.0032741800000000 ] - [ -0.0001711200000000, 0.0000712100000000, -0.0009109400000000 ] - [ -0.0000180200000000, -0.0000329000000000, -0.0001982300000000 ] - [ 0.0000601500000000, -0.0010256400000000, 0.0001999400000000 ] - [ 0.0006843100000000, -0.0022049200000000, 0.0012101400000000 ] - [ -0.0003055100000000, -0.0014101600000000, -0.0007742500000000 ] - [ 0.0020516500000000, -0.0021881600000000, -0.0007540000000000 ] - [ -0.0000090000000000, 0.0012738700000000, 0.0005694300000000 ] - [ 0.0001921000000000, 0.0023824400000000, 0.0007222200000000 ] - [ -0.0013670800000000, 0.0005805500000000, -0.0018595300000000 ] - [ 0.0012042400000000, 0.0032884400000000, 0.0002354900000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005197700000000, 0.0020935900000000, -0.0026902400000000 ] - [ -0.0003591500000000, 0.0001818500000000, 0.0001196400000000 ] - [ 0.0029623400000000, 0.0047588500000000, -0.0000325300000000 ] - [ -0.0006900300000000, 0.0002648400000000, 0.0001413900000000 ] - [ 0.0002913000000000, -0.0013615200000000, -0.0003953100000000 ] - [ -0.0003303000000000, -0.0001796100000000, 0.0001154800000000 ] - [ 0.0004361700000000, -0.0022106800000000, 0.0006105400000000 ] - [ -0.0004556700000000, -0.0002159300000000, 0.0001860600000000 ] - [ -0.0031015800000000, -0.0043031000000000, 0.0065737900000000 ] - [ -0.0001435400000000, 0.0000452100000000, 0.0004777500000000 ] - [ -0.0002743700000000, -0.0000607300000000, -0.0010380400000000 ] - [ -0.0005554200000000, 0.0000169200000000, 0.0000006100000000 ] - [ 0.0052300000000000, -0.0019122100000000, -0.0013077300000000 ] - [ -0.0015002300000000, -0.0001095800000000, -0.0008228700000000 ] - [ 0.0007509900000000, 0.0001246500000000, -0.0003671600000000 ] - [ -0.0000154000000000, -0.0000317000000000, -0.0002234800000000 ] - [ -0.0006019500000000, -0.0019423600000000, 0.0000665800000000 ] - [ 0.0000677900000000, -0.0023988800000000, -0.0001281000000000 ] - [ 0.0002151500000000, -0.0002311300000000, -0.0003929800000000 ] - [ -0.0000103600000000, -0.0003952600000000, -0.0003618800000000 ] - [ -0.0059818500000000, 0.0035165100000000, 0.0000883200000000 ] - [ -0.0009656300000000, 0.0038178000000000, -0.0007417400000000 ] - [ 0.0002587100000000, 0.0002553000000000, -0.0005057200000000 ] - [ -0.0000412400000000, 0.0003876300000000, -0.0004105300000000 ] - [ 0.0176853000000000, -0.0399331200000000, -0.0150013600000000 ] - [ -0.0014602300000000, -0.0000273900000000, -0.0000232800000000 ] - [ 0.0001797600000000, 0.0001151800000000, 0.0000540500000000 ] - [ -0.0001899300000000, 0.0000154600000000, -0.0002249500000000 ] - [ 0.0005472300000000, -0.0004273700000000, -0.0006545900000000 ] - [ -0.0038775700000000, -0.0001201300000000, -0.0033655400000000 ] - [ -0.0004873500000000, 0.0013121500000000, 0.0013803500000000 ] - [ -0.0032035100000000, -0.0011241200000000, 0.0041891400000000 ] - [ 0.0008238800000000, 0.0008844900000000, 0.0043347900000000 ] - [ 0.0003277500000000, -0.0000683600000000, -0.0001655800000000 ] - [ 0.0079896400000000, 0.0014702100000000, -0.0030609700000000 ] - [ -0.0009907200000000, -0.0011731800000000, -0.0015846400000000 ] - [ -0.0025105400000000, -0.0270570400000000, -0.0235466300000000 ] - [ 0.0010148300000000, 0.0000218100000000, 0.0002732600000000 ] - [ 0.0017298100000000, 0.0000942000000000, 0.0021136600000000 ] - [ 0.0006794500000000, 0.0000358400000000, -0.0001761600000000 ] - [ 0.1378171500000000, 0.4220645300000000, 0.1041299100000000 ] - [ 0.0000764100000000, 0.0018983800000000, 0.0013195200000000 ] - [ 0.0013970300000000, 0.0020229000000000, 0.0001238300000000 ] - [ 0.0005717800000000, 0.0012771500000000, 0.0003117500000000 ] - [ 0.0066326200000000, -0.0159015300000000, 0.0050905200000000 ] - [ 0.0004087700000000, -0.0021598000000000, 0.0011887800000000 ] - [ 0.0012875800000000, -0.0020034100000000, 0.0002843300000000 ] - [ 0.0006051800000000, -0.0013037600000000, 0.0003451300000000 ] - [ -0.0003389500000000, -0.0004342400000000, 0.0007072100000000 ] - [ -0.0003897500000000, -0.0017664500000000, 0.0003411500000000 ] - [ -0.0003154200000000, 0.0000237700000000, -0.0012040300000000 ] - [ 0.0004391300000000, -0.0004248100000000, -0.0009644700000000 ] - [ 0.0001271000000000, 0.0018933200000000, 0.0018800100000000 ] - [ -0.0010885500000000, 0.0017447100000000, 0.0004775800000000 ] - [ -0.0007250900000000, -0.0004967800000000, -0.0031361600000000 ] - [ -0.0001869900000000, 0.0001036600000000, -0.0002909000000000 ] - [ -0.0021584600000000, -0.0008098900000000, 0.0015269600000000 ] - [ 0.0044749500000000, -0.0010882500000000, 0.0070561500000000 ] - [ -0.0013242900000000, -0.0004423100000000, -0.0011713900000000 ] - [ 0.0002489400000000, 0.0001364100000000, -0.0007417300000000 ] - [ 0.0001194600000000, 0.0003067500000000, 0.0010606100000000 ] - [ -0.0218310700000000, -0.0257085700000000, 0.0113927000000000 ] - [ -0.0001396600000000, 0.0000133900000000, 0.0003134600000000 ] - [ 0.0000893600000000, -0.0001454100000000, 0.0003335600000000 ] - [ -0.0515672000000000, -0.0885573800000000, 0.0374932400000000 ] - [ 0.0003892500000000, -0.0012217900000000, -0.0001611200000000 ] - [ -0.0003447200000000, -0.0010735500000000, 0.0008534200000000 ] - [ 0.0000940300000000, -0.0006854200000000, 0.0003564000000000 ] - [ -0.0021463400000000, 0.0084246400000000, -0.0010432800000000 ] - [ 0.0000636000000000, 0.0010442100000000, -0.0000487500000000 ] - [ -0.0003851200000000, 0.0011935400000000, 0.0006631800000000 ] - [ 0.0000825700000000, 0.0006759000000000, 0.0003623900000000 ] - [ -0.0021951000000000, 0.0015348300000000, -0.0061070100000000 ] - [ 0.0006930800000000, 0.0001256400000000, -0.0004750100000000 ] - [ -0.0021110300000000, -0.0002545300000000, 0.0023785200000000 ] - [ 0.0004368200000000, 0.0003124600000000, 0.0012182300000000 ] - [ 0.0020944700000000, 0.0035394800000000, 0.0059398800000000 ] - [ 0.0001325300000000, 0.0000482900000000, -0.0005199100000000 ] - [ 0.0003735000000000, 0.0006472000000000, -0.0033719800000000 ] - [ 0.0005879600000000, -0.0001701200000000, -0.0004869000000000 ] - [ 0.0109201300000000, -0.0870677500000000, -0.0698595100000000 ] - [ -0.0005083300000000, -0.0007774000000000, -0.0005240500000000 ] - [ -0.0015072400000000, -0.0008062800000000, -0.0002502600000000 ] - [ -0.0006992900000000, -0.0003420400000000, 0.0001142700000000 ] - [ -0.0024759200000000, 0.0086027000000000, -0.0019763400000000 ] - [ -0.0005761200000000, 0.0008006300000000, -0.0004619900000000 ] - [ -0.0014580400000000, 0.0008727300000000, -0.0003731700000000 ] - [ -0.0007183300000000, 0.0003198600000000, 0.0001074100000000 ] - [ -0.0003030000000000, -0.0003447000000000, -0.0014695100000000 ] - [ -0.0004799800000000, -0.0000023700000000, -0.0003277700000000 ] - [ -0.0075189600000000, 0.0033236600000000, 0.0074899300000000 ] - [ 0.0001822100000000, 0.0001830700000000, -0.0002088700000000 ] - [ -0.0025169700000000, 0.0150598200000000, -0.0029171300000000 ] - [ 0.0001297800000000, 0.0015483300000000, -0.0003507900000000 ] - [ -0.0003933800000000, 0.0012147800000000, -0.0000817600000000 ] - [ 0.0000663600000000, 0.0007934000000000, 0.0000189500000000 ] - [ -0.0859307100000000, -0.1912781500000000, -0.0504871000000000 ] - [ 0.0003552000000000, -0.0014648100000000, -0.0003112500000000 ] - [ -0.0004112000000000, -0.0012820000000000, 0.0000024400000000 ] - [ 0.0000943800000000, -0.0007904900000000, 0.0000262200000000 ] - [ -0.0007556500000000, 0.0005056700000000, 0.0001041800000000 ] - [ 0.0009908200000000, 0.0016099600000000, 0.0003659500000000 ] - [ -0.0002822200000000, 0.0001385300000000, -0.0000838000000000 ] - [ 0.0004288100000000, 0.0010167500000000, -0.0005905600000000 ] - [ -0.0020828400000000, -0.0006779100000000, 0.0004292600000000 ] - [ 0.0009300900000000, -0.0012973800000000, 0.0003628900000000 ] - [ 0.0004694700000000, -0.0016630500000000, 0.0013229300000000 ] - [ 0.0005628200000000, -0.0006342200000000, -0.0006056600000000 ] - [ -0.0005920700000000, -0.0007185100000000, -0.0008884200000000 ] - [ 0.0059910700000000, 0.0034517400000000, -0.0030690800000000 ] - [ 0.0003497900000000, 0.0000502800000000, 0.0006749000000000 ] - [ 0.0009755400000000, 0.0000147000000000, 0.0012969900000000 ] - [ 0.0013341300000000, 0.0009673100000000, -0.0011769300000000 ] - [ -0.0003379400000000, 0.0023346600000000, -0.0023420500000000 ] - [ 0.0010104700000000, 0.0000249800000000, 0.0005253500000000 ] - [ 0.0005030000000000, 0.0001120600000000, 0.0002221100000000 ] - [ 0.0024299400000000, -0.0011004100000000, -0.0029423200000000 ] - [ -0.0001504800000000, -0.0022389000000000, -0.0020060600000000 ] - [ 0.0009600800000000, 0.0006143300000000, 0.0012019000000000 ] - [ 0.0005851300000000, -0.0002578200000000, -0.0001595500000000 ] - [ 0.0020149600000000, 0.0006890000000000, -0.0000032700000000 ] - [ -0.0088391800000000, 0.0038997700000000, -0.0028370500000000 ] - [ -0.0000216900000000, 0.0000720300000000, 0.0011720300000000 ] - [ -0.0004800900000000, -0.0000477200000000, 0.0008876700000000 ] - [ -0.0005293100000000, -0.0000558500000000, -0.0008243700000000 ] - [ 0.0061429100000000, 0.0068685300000000, 0.0024006100000000 ] - [ -0.0000035100000000, -0.0000707900000000, 0.0000177000000000 ] - [ -0.0001597800000000, 0.0000334900000000, -0.0006992100000000 ] - [ -0.0001966600000000, -0.0002082600000000, -0.0004848500000000 ] - [ -0.0008313400000000, 0.0009817400000000, -0.0015123300000000 ] - [ 0.0001673300000000, 0.0001746200000000, 0.0004904700000000 ] - [ -0.0022023300000000, 0.0009586400000000, 0.0004762700000000 ] - [ -0.0001306800000000, -0.0000437600000000, -0.0008538200000000 ] - [ -0.0003361700000000, -0.0011619000000000, -0.0010129400000000 ] - [ 0.0012235200000000, 0.0006517500000000, 0.0015752700000000 ] - [ -0.0013473700000000, -0.0020692700000000, -0.0005231000000000 ]- atom: 41 displacement: [ -0.0015728055973509, 0.0000000000000000, 0.0098755396081906 ] forces: - [ -0.0010993500000000, -0.0014096300000000, 0.0077106900000000 ] - [ 0.0000578700000000, -0.0000806400000000, 0.0002847600000000 ] - [ -0.0006421900000000, 0.0013046500000000, 0.0104599700000000 ] - [ -0.0003995300000000, -0.0000730600000000, 0.0001434700000000 ] - [ -0.0005367900000000, 0.0012285200000000, 0.0014742300000000 ] - [ 0.0000560000000000, 0.0001110600000000, 0.0002754800000000 ] - [ 0.0002627500000000, -0.0007697600000000, 0.0011369100000000 ] - [ -0.0004221300000000, 0.0000360000000000, 0.0001270900000000 ] - [ -0.0018454300000000, -0.0037700900000000, -0.0022689500000000 ] - [ -0.0002538200000000, -0.0000246000000000, -0.0006066600000000 ] - [ -0.0001772800000000, 0.0001747800000000, 0.0013303100000000 ] - [ -0.0006094300000000, 0.0000381800000000, 0.0006753500000000 ] - [ -0.0063945300000000, 0.0043958600000000, 0.0000090000000000 ] - [ 0.0006193700000000, -0.0000742300000000, -0.0019431200000000 ] - [ 0.0005508100000000, -0.0002589900000000, 0.0009677000000000 ] - [ 0.0001005200000000, -0.0000496900000000, 0.0008316800000000 ] - [ 0.0003345600000000, 0.0005466500000000, -0.0011096900000000 ] - [ -0.0004996300000000, -0.0004554400000000, -0.0012961700000000 ] - [ -0.0000178600000000, 0.0000490700000000, 0.0005209300000000 ] - [ 0.0001728800000000, 0.0001493400000000, 0.0008118800000000 ] - [ 0.0015975400000000, -0.0011423800000000, -0.0030409100000000 ] - [ -0.0052114900000000, 0.0022741000000000, -0.0019595200000000 ] - [ -0.0000841200000000, -0.0000871900000000, 0.0007914400000000 ] - [ 0.0002136500000000, -0.0001376600000000, 0.0010288700000000 ] - [ 0.0000627200000000, 0.0174795700000000, 0.0012282400000000 ] - [ -0.0003337200000000, 0.0001696800000000, -0.0010318400000000 ] - [ 0.0001324600000000, -0.0001910900000000, 0.0033943900000000 ] - [ 0.0004775700000000, -0.0000512300000000, 0.0014036600000000 ] - [ -0.0026803300000000, 0.0013128800000000, 0.0016650300000000 ] - [ 0.0050755000000000, 0.0004909900000000, 0.0032380000000000 ] - [ 0.0028464200000000, -0.0017258300000000, -0.0011676100000000 ] - [ -0.0036663300000000, -0.0013654700000000, 0.0044406400000000 ] - [ 0.0007360400000000, -0.0017192800000000, 0.0007650300000000 ] - [ -0.0005286500000000, -0.0005110900000000, -0.0011736600000000 ] - [ -0.0006027300000000, 0.0016022800000000, 0.0017004100000000 ] - [ 0.0010318000000000, 0.0006093900000000, -0.0002970300000000 ] - [ 0.0322276600000000, 0.0454655500000000, 0.0158959500000000 ] - [ -0.0003419700000000, -0.0000024000000000, -0.0006629200000000 ] - [ 0.0010809000000000, -0.0001400100000000, 0.0047996000000000 ] - [ 0.0011821200000000, -0.0000539700000000, 0.0011869900000000 ] - [ 0.1593127200000000, -0.0847164600000000, -0.4521421900000000 ] - [ 0.0000625100000000, 0.0004082300000000, -0.0007560500000000 ] - [ -0.0003170700000000, 0.0017963500000000, 0.0036659400000000 ] - [ 0.0005619200000000, 0.0014828100000000, 0.0017550600000000 ] - [ 0.0074337500000000, 0.0023056700000000, -0.0164857600000000 ] - [ 0.0001606200000000, -0.0005895000000000, -0.0006271900000000 ] - [ -0.0001537600000000, -0.0016214700000000, 0.0030453500000000 ] - [ 0.0005586700000000, -0.0014549700000000, 0.0016601600000000 ] - [ -0.0016219400000000, 0.0024513400000000, -0.0009444300000000 ] - [ 0.0005037000000000, 0.0020950900000000, -0.0021412200000000 ] - [ -0.0001848400000000, 0.0005611800000000, -0.0000573100000000 ] - [ -0.0013416100000000, 0.0006816800000000, 0.0010805300000000 ] - [ -0.0031884200000000, -0.0035405500000000, -0.0001464500000000 ] - [ 0.0027320100000000, -0.0023479900000000, -0.0012778500000000 ] - [ 0.0007860300000000, 0.0012781000000000, 0.0008751100000000 ] - [ -0.0026305100000000, -0.0014391300000000, 0.0022110900000000 ] - [ -0.0022464900000000, -0.0012898100000000, -0.0030288400000000 ] - [ 0.0017894000000000, -0.0014073900000000, -0.0085586800000000 ] - [ -0.0003704500000000, 0.0004539800000000, 0.0013141800000000 ] - [ -0.0012543300000000, 0.0003377100000000, 0.0025726200000000 ] - [ -0.0007412300000000, 0.0000871800000000, -0.0012735700000000 ] - [ -0.0173172300000000, -0.0340292600000000, -0.0233702900000000 ] - [ -0.0011778200000000, 0.0000004600000000, 0.0021847400000000 ] - [ -0.0012557100000000, 0.0001879400000000, 0.0039108600000000 ] - [ -0.1006354500000000, -0.0485372000000000, 0.1456155300000000 ] - [ 0.0004386100000000, -0.0002017400000000, 0.0009506000000000 ] - [ 0.0007315600000000, -0.0005315100000000, -0.0021679800000000 ] - [ 0.0003120600000000, -0.0005933500000000, -0.0005886400000000 ] - [ -0.0031312400000000, 0.0125395000000000, 0.0075506200000000 ] - [ 0.0004012400000000, 0.0003001400000000, 0.0009233500000000 ] - [ 0.0007403100000000, 0.0003230400000000, -0.0017219100000000 ] - [ 0.0003056500000000, 0.0005737000000000, -0.0005494500000000 ] - [ -0.0024121600000000, 0.0029270400000000, 0.0025842200000000 ] - [ 0.0009148000000000, 0.0003633500000000, 0.0012012100000000 ] - [ 0.0005534800000000, -0.0003131400000000, -0.0018831900000000 ] - [ -0.0001483200000000, -0.0001846300000000, -0.0002759300000000 ] - [ -0.0063339300000000, -0.0063676800000000, -0.0100035700000000 ] - [ 0.0010516900000000, -0.0001854400000000, -0.0000026400000000 ] - [ 0.0012123500000000, 0.0011132100000000, -0.0048025900000000 ] - [ -0.0001709100000000, 0.0001966500000000, -0.0008396900000000 ] - [ -0.0620281500000000, 0.0801427200000000, 0.2247290500000000 ] - [ -0.0004509800000000, 0.0001960200000000, 0.0010977200000000 ] - [ -0.0007081500000000, -0.0010466200000000, -0.0029569000000000 ] - [ -0.0008315600000000, -0.0005557400000000, -0.0010198000000000 ] - [ -0.0049985600000000, -0.0189484400000000, 0.0083489700000000 ] - [ -0.0004254700000000, -0.0001849800000000, 0.0010169000000000 ] - [ -0.0009379400000000, 0.0011989500000000, -0.0024809500000000 ] - [ -0.0008610000000000, 0.0005886600000000, -0.0009784800000000 ] - [ -0.0003706300000000, 0.0009812500000000, -0.0022445400000000 ] - [ -0.0003459500000000, 0.0001128700000000, -0.0007648200000000 ] - [ -0.0008716200000000, -0.0022522800000000, -0.0007999000000000 ] - [ -0.0007529400000000, -0.0001420000000000, 0.0001170900000000 ] - [ -0.0014894100000000, -0.0042379900000000, 0.0040100700000000 ] - [ 0.0004761300000000, 0.0003683000000000, 0.0006006600000000 ] - [ -0.0000223600000000, 0.0009820900000000, -0.0014089400000000 ] - [ -0.0002725100000000, 0.0007369400000000, -0.0008004400000000 ] - [ 0.0070195700000000, 0.0337670700000000, 0.0614724000000000 ] - [ 0.0007615800000000, -0.0004231300000000, 0.0006961700000000 ] - [ -0.0000735900000000, -0.0009247600000000, -0.0016467800000000 ] - [ -0.0002957500000000, -0.0007318500000000, -0.0008552000000000 ] - [ 0.0014261400000000, -0.0017733500000000, -0.0003437500000000 ] - [ -0.0013616900000000, -0.0017992400000000, 0.0004786800000000 ] - [ -0.0008244600000000, 0.0000344300000000, -0.0001412900000000 ] - [ 0.0010863200000000, 0.0002322300000000, -0.0009045200000000 ] - [ 0.0036502000000000, 0.0009414900000000, -0.0016343500000000 ] - [ -0.0014393400000000, 0.0011899500000000, 0.0001879900000000 ] - [ -0.0031082300000000, 0.0004088700000000, -0.0018328700000000 ] - [ 0.0012930600000000, 0.0004734600000000, -0.0008668700000000 ] - [ 0.0003116400000000, 0.0000840700000000, 0.0031473800000000 ] - [ 0.0101434500000000, 0.0070685300000000, 0.0003057100000000 ] - [ 0.0015067500000000, -0.0001757200000000, -0.0012065000000000 ] - [ 0.0007576200000000, -0.0000126300000000, -0.0024376900000000 ] - [ 0.0014191600000000, -0.0006344400000000, 0.0010641900000000 ] - [ 0.0002801900000000, -0.0007736400000000, 0.0027120600000000 ] - [ 0.0006536600000000, -0.0001879400000000, -0.0006743100000000 ] - [ 0.0011679600000000, 0.0000513200000000, -0.0014574700000000 ] - [ 0.0028123200000000, 0.0025650400000000, 0.0014917300000000 ] - [ -0.0003965000000000, 0.0015529900000000, 0.0028660700000000 ] - [ 0.0005413100000000, -0.0006874800000000, -0.0013442800000000 ] - [ 0.0014224600000000, -0.0002774000000000, -0.0021918700000000 ] - [ -0.0001583700000000, 0.0000223600000000, 0.0023472700000000 ] - [ 0.0017260500000000, -0.0028136500000000, 0.0061416400000000 ] - [ -0.0004715200000000, -0.0000516600000000, -0.0008012900000000 ] - [ -0.0005029800000000, -0.0000078200000000, -0.0019230800000000 ] - [ 0.0013296700000000, -0.0001940500000000, 0.0009082100000000 ] - [ -0.0132196800000000, -0.0011654300000000, 0.0199828400000000 ] - [ -0.0000167300000000, 0.0000857600000000, -0.0017018000000000 ] - [ 0.0007436500000000, -0.0000043500000000, -0.0035132700000000 ] - [ 0.0005794000000000, -0.0009858900000000, -0.0002963800000000 ] - [ -0.0011676200000000, -0.0003385700000000, -0.0003364100000000 ] - [ -0.0004293900000000, -0.0005999100000000, -0.0001892800000000 ] - [ 0.0008481400000000, -0.0010287900000000, -0.0009800300000000 ] - [ 0.0013703400000000, 0.0018518700000000, -0.0006795000000000 ] - [ -0.0017546800000000, 0.0016726400000000, -0.0006151000000000 ] - [ -0.0011815900000000, -0.0002808300000000, -0.0002736600000000 ] - [ 0.0020411500000000, -0.0005272800000000, -0.0026159100000000 ]- atom: 41 displacement: [ 0.0015728055973509, 0.0000000000000000, -0.0098755396081906 ] forces: - [ 0.0009159100000000, 0.0013028100000000, -0.0072677800000000 ] - [ -0.0002275700000000, -0.0000279600000000, 0.0000917400000000 ] - [ 0.0004781600000000, -0.0014296000000000, -0.0101937900000000 ] - [ 0.0002307900000000, -0.0000352600000000, 0.0002356600000000 ] - [ 0.0003617800000000, -0.0011162200000000, -0.0011055900000000 ] - [ -0.0002243200000000, -0.0000010700000000, 0.0000912100000000 ] - [ -0.0004364000000000, 0.0008854900000000, -0.0007640500000000 ] - [ 0.0002535000000000, 0.0000734100000000, 0.0002424500000000 ] - [ 0.0011934400000000, 0.0037408700000000, 0.0025726300000000 ] - [ -0.0003929800000000, 0.0000248600000000, 0.0009375800000000 ] - [ -0.0004706100000000, -0.0001760600000000, -0.0009902400000000 ] - [ -0.0000355300000000, -0.0000382900000000, -0.0003373100000000 ] - [ 0.0070105000000000, -0.0043677200000000, -0.0003585900000000 ] - [ 0.0000366400000000, 0.0000722300000000, 0.0016022000000000 ] - [ 0.0000927600000000, 0.0002605700000000, -0.0013024600000000 ] - [ 0.0005475700000000, 0.0000498700000000, -0.0011647300000000 ] - [ -0.0001559600000000, -0.0006498900000000, 0.0007409900000000 ] - [ 0.0006689400000000, 0.0003519400000000, 0.0009262300000000 ] - [ 0.0001867700000000, -0.0001575000000000, -0.0008871400000000 ] - [ -0.0000014100000000, -0.0002577600000000, -0.0011766300000000 ] - [ -0.0013853100000000, 0.0012511800000000, 0.0026652400000000 ] - [ 0.0053803300000000, -0.0021714800000000, 0.0015939900000000 ] - [ 0.0002533000000000, 0.0001939700000000, -0.0011669400000000 ] - [ -0.0000405600000000, 0.0002446900000000, -0.0014026600000000 ] - [ 0.0004039500000000, -0.0174265200000000, -0.0009098700000000 ] - [ 0.0008856500000000, -0.0001691300000000, 0.0012041700000000 ] - [ 0.0004164000000000, 0.0001893700000000, -0.0032209100000000 ] - [ 0.0000735500000000, 0.0000510600000000, -0.0012370000000000 ] - [ 0.0021250300000000, -0.0013049100000000, -0.0018341600000000 ] - [ -0.0055904600000000, -0.0004880100000000, -0.0033866600000000 ] - [ -0.0034000000000000, 0.0017294300000000, 0.0010234100000000 ] - [ 0.0031255800000000, 0.0013669700000000, -0.0045848500000000 ] - [ 0.0000847200000000, 0.0017088500000000, -0.0024441600000000 ] - [ 0.0013412700000000, 0.0005080000000000, -0.0005108400000000 ] - [ 0.0014019900000000, -0.0016094100000000, -0.0033699700000000 ] - [ -0.0002124500000000, -0.0006076800000000, -0.0013741600000000 ] - [ -0.0301834500000000, -0.0450535300000000, -0.0151999100000000 ] - [ 0.0023578200000000, 0.0000026300000000, 0.0010882300000000 ] - [ 0.0009334700000000, 0.0001420900000000, -0.0043685100000000 ] - [ 0.0008338100000000, 0.0000542700000000, -0.0007455100000000 ] - [ -0.1612434500000000, 0.0742849300000000, 0.4433011100000000 ] - [ 0.0012989400000000, 0.0020100800000000, 0.0019544800000000 ] - [ 0.0016734400000000, 0.0006221700000000, -0.0024548000000000 ] - [ 0.0007976500000000, 0.0009389200000000, -0.0005446500000000 ] - [ -0.0061048800000000, -0.0046720200000000, 0.0176368900000000 ] - [ 0.0011992500000000, -0.0018285500000000, 0.0018259500000000 ] - [ 0.0015110300000000, -0.0007986200000000, -0.0018339900000000 ] - [ 0.0008010000000000, -0.0009665100000000, -0.0004497300000000 ] - [ 0.0002601200000000, -0.0000232200000000, -0.0002708000000000 ] - [ -0.0018571000000000, 0.0003342500000000, 0.0009252200000000 ] - [ -0.0011766700000000, 0.0018607500000000, -0.0011400300000000 ] - [ -0.0000191800000000, 0.0017389400000000, -0.0022811300000000 ] - [ 0.0018169100000000, 0.0011044800000000, -0.0010659600000000 ] - [ -0.0040743000000000, -0.0000818900000000, 0.0000515500000000 ] - [ -0.0021551300000000, -0.0037139200000000, -0.0020695500000000 ] - [ 0.0012763300000000, -0.0009768200000000, -0.0034166000000000 ] - [ 0.0002297800000000, 0.0012827300000000, 0.0025741200000000 ] - [ -0.0038029200000000, 0.0014224000000000, 0.0080505800000000 ] - [ -0.0016459300000000, -0.0004556500000000, -0.0017421500000000 ] - [ -0.0007618000000000, -0.0003395700000000, -0.0029994200000000 ] - [ -0.0000627200000000, -0.0000883500000000, 0.0029397400000000 ] - [ 0.0166062800000000, 0.0340824300000000, 0.0249206700000000 ] - [ 0.0003601700000000, -0.0000003900000000, -0.0005021600000000 ] - [ 0.0004428300000000, -0.0001851200000000, -0.0022265200000000 ] - [ 0.1076731600000000, 0.0515650900000000, -0.1498072500000000 ] - [ -0.0003077600000000, -0.0010335300000000, -0.0006625300000000 ] - [ -0.0005945300000000, -0.0007050300000000, 0.0024460200000000 ] - [ -0.0001731100000000, -0.0006423100000000, 0.0008708800000000 ] - [ 0.0032856800000000, -0.0113533700000000, -0.0072573500000000 ] - [ -0.0002694200000000, 0.0009367300000000, -0.0006360800000000 ] - [ -0.0006020900000000, 0.0009109700000000, 0.0020022900000000 ] - [ -0.0001664000000000, 0.0006612500000000, 0.0008317800000000 ] - [ 0.0025711600000000, -0.0029062400000000, -0.0016574600000000 ] - [ -0.0007381000000000, -0.0003609900000000, -0.0003002700000000 ] - [ -0.0003746700000000, 0.0003149300000000, 0.0027664100000000 ] - [ 0.0003226100000000, 0.0001843900000000, 0.0011624500000000 ] - [ 0.0068022000000000, 0.0063359600000000, 0.0089403800000000 ] - [ -0.0006002500000000, 0.0001841400000000, -0.0010434400000000 ] - [ -0.0007690500000000, -0.0011212200000000, 0.0037515600000000 ] - [ 0.0006267800000000, -0.0001975000000000, -0.0002170400000000 ] - [ 0.0563111200000000, -0.0728086700000000, -0.2111551400000000 ] - [ -0.0014084500000000, -0.0008444800000000, -0.0013112700000000 ] - [ -0.0011491000000000, 0.0003957600000000, 0.0027354700000000 ] - [ -0.0010273700000000, -0.0000950700000000, 0.0007957900000000 ] - [ 0.0031631800000000, 0.0194865400000000, -0.0085475400000000 ] - [ -0.0014332800000000, 0.0008332300000000, -0.0012304300000000 ] - [ -0.0009182800000000, -0.0005504700000000, 0.0022579800000000 ] - [ -0.0009976000000000, 0.0000620500000000, 0.0007549500000000 ] - [ -0.0009975100000000, -0.0009738800000000, 0.0017701000000000 ] - [ -0.0010189500000000, -0.0001126500000000, 0.0002965200000000 ] - [ -0.0004693300000000, 0.0022606600000000, 0.0002939900000000 ] - [ -0.0006135000000000, 0.0001415300000000, -0.0005874700000000 ] - [ 0.0012103900000000, 0.0053875500000000, -0.0042888300000000 ] - [ -0.0007600100000000, 0.0008994400000000, -0.0009016100000000 ] - [ -0.0002637300000000, 0.0002881300000000, 0.0011037400000000 ] - [ -0.0000142700000000, 0.0005336100000000, 0.0004960900000000 ] - [ -0.0071572800000000, -0.0346370900000000, -0.0612237500000000 ] - [ -0.0010455200000000, -0.0008445300000000, -0.0009978500000000 ] - [ -0.0002128100000000, -0.0003433400000000, 0.0013408500000000 ] - [ 0.0000083900000000, -0.0005389600000000, 0.0005502100000000 ] - [ -0.0011345000000000, 0.0005002800000000, 0.0006482700000000 ] - [ 0.0016444900000000, 0.0005236500000000, -0.0001776400000000 ] - [ 0.0011108200000000, -0.0013085400000000, 0.0004389700000000 ] - [ -0.0008023600000000, -0.0015023000000000, 0.0012013700000000 ] - [ -0.0033436600000000, 0.0003252700000000, 0.0019323100000000 ] - [ 0.0017195900000000, 0.0000870700000000, 0.0001162200000000 ] - [ 0.0034124200000000, 0.0008683200000000, 0.0021362700000000 ] - [ -0.0010109500000000, 0.0007943800000000, 0.0011655800000000 ] - [ 0.0010371700000000, -0.0000750500000000, -0.0026829100000000 ] - [ -0.0087050200000000, -0.0070163000000000, 0.0001768000000000 ] - [ -0.0001385500000000, 0.0001749500000000, 0.0016772500000000 ] - [ 0.0006035900000000, 0.0000115500000000, 0.0029059900000000 ] - [ 0.0004376000000000, -0.0000178400000000, -0.0008334600000000 ] - [ 0.0015760900000000, 0.0001125400000000, -0.0024745600000000 ] - [ 0.0012059900000000, -0.0004599800000000, 0.0008883500000000 ] - [ 0.0006907700000000, -0.0006998800000000, 0.0016722600000000 ] - [ -0.0009466000000000, -0.0019025300000000, -0.0012532900000000 ] - [ 0.0022554100000000, -0.0008960500000000, -0.0026208400000000 ] - [ 0.0013202400000000, 0.0013392300000000, 0.0015601300000000 ] - [ 0.0004347400000000, 0.0009266900000000, 0.0024108200000000 ] - [ -0.0003061400000000, -0.0000247200000000, -0.0012894600000000 ] - [ -0.0021196400000000, 0.0027795900000000, -0.0050688100000000 ] - [ 0.0000173200000000, 0.0000522900000000, 0.0018473800000000 ] - [ 0.0000485900000000, 0.0000086500000000, 0.0029676800000000 ] - [ -0.0015056500000000, 0.0001938600000000, -0.0017912400000000 ] - [ 0.0128958700000000, 0.0010468900000000, -0.0209154900000000 ] - [ -0.0001543100000000, -0.0000861600000000, 0.0008053200000000 ] - [ -0.0009186400000000, 0.0000033800000000, 0.0026186100000000 ] - [ -0.0007152800000000, -0.0002504700000000, 0.0000152900000000 ] - [ 0.0010239600000000, -0.0008960200000000, 0.0000548400000000 ] - [ 0.0002899500000000, -0.0006365100000000, -0.0001013500000000 ] - [ -0.0009826600000000, -0.0002072100000000, 0.0006905900000000 ] - [ -0.0015020900000000, -0.0006099800000000, 0.0003966400000000 ] - [ 0.0016042000000000, -0.0004294600000000, 0.0003368000000000 ] - [ 0.0010426300000000, 0.0015203000000000, -0.0000227500000000 ] - [ -0.0021839500000000, 0.0017694900000000, 0.0023318100000000 ]- atom: 65 displacement: [ 0.0099999999923824, 0.0000000000000000, -0.0000003903221875 ] forces: - [ 0.0000233800000000, -0.0003263400000000, 0.0026885000000000 ] - [ -0.0004136900000000, 0.0000512900000000, -0.0000063000000000 ] - [ 0.0039812400000000, 0.0014915000000000, 0.0011272500000000 ] - [ -0.0011532000000000, 0.0001101700000000, 0.0002484100000000 ] - [ 0.0001050700000000, 0.0001259200000000, 0.0006003400000000 ] - [ -0.0003636200000000, -0.0000469200000000, 0.0000000200000000 ] - [ 0.0011367400000000, -0.0004801300000000, 0.0000522000000000 ] - [ -0.0010173100000000, -0.0000992400000000, 0.0002701500000000 ] - [ -0.0010738800000000, -0.0020604800000000, 0.0022080500000000 ] - [ -0.0006147900000000, 0.0000784800000000, -0.0001708000000000 ] - [ 0.0000482200000000, -0.0001024500000000, -0.0001114100000000 ] - [ -0.0008417700000000, 0.0000245800000000, 0.0003387700000000 ] - [ -0.0015540800000000, 0.0015348500000000, 0.0005332500000000 ] - [ -0.0011718000000000, -0.0000788600000000, -0.0026063400000000 ] - [ 0.0007579700000000, 0.0001626800000000, -0.0004285200000000 ] - [ -0.0001652500000000, -0.0000296900000000, 0.0005073500000000 ] - [ -0.0006083900000000, -0.0003142900000000, -0.0002892300000000 ] - [ 0.0004655900000000, -0.0024521100000000, -0.0006380500000000 ] - [ 0.0001347700000000, -0.0000857600000000, -0.0001112900000000 ] - [ 0.0000562900000000, -0.0000768700000000, 0.0000897300000000 ] - [ -0.0032506000000000, 0.0002784400000000, -0.0006806400000000 ] - [ -0.0010209700000000, 0.0031747800000000, -0.0008477800000000 ] - [ 0.0000997100000000, 0.0000704800000000, -0.0000942800000000 ] - [ 0.0000749200000000, 0.0000721700000000, 0.0001483200000000 ] - [ 0.0116226600000000, -0.0100994500000000, -0.0044197700000000 ] - [ -0.0018970900000000, 0.0000691800000000, -0.0000432200000000 ] - [ 0.0006776400000000, -0.0001235300000000, 0.0012363600000000 ] - [ -0.0002565000000000, -0.0000114200000000, 0.0001288400000000 ] - [ -0.0013317000000000, 0.0005242700000000, 0.0003352600000000 ] - [ 0.0013249000000000, 0.0000510300000000, -0.0008712100000000 ] - [ -0.0020690800000000, 0.0011844500000000, -0.0014392000000000 ] - [ -0.0022644800000000, -0.0010897900000000, 0.0121924500000000 ] - [ 0.0012775600000000, -0.0003166200000000, 0.0006549900000000 ] - [ -0.0003492900000000, -0.0002841300000000, -0.0008108300000000 ] - [ 0.0053939400000000, 0.0014859600000000, -0.0009303600000000 ] - [ -0.0011251500000000, -0.0005790600000000, -0.0010238300000000 ] - [ 0.0199976100000000, 0.0126365300000000, 0.0011159400000000 ] - [ -0.0007390100000000, 0.0000394300000000, -0.0004024700000000 ] - [ 0.0017788400000000, 0.0003208500000000, 0.0032994700000000 ] - [ 0.0003673900000000, 0.0000299200000000, -0.0002250300000000 ] - [ 0.1351323200000000, 0.0516781500000000, -0.0802180200000000 ] - [ -0.0009972300000000, 0.0008904000000000, 0.0007124100000000 ] - [ 0.0008006800000000, 0.0016242500000000, 0.0012939900000000 ] - [ 0.0003786500000000, 0.0011875000000000, 0.0008025500000000 ] - [ 0.0057443500000000, -0.0033986000000000, -0.0018189700000000 ] - [ -0.0008892500000000, -0.0012167400000000, 0.0006908700000000 ] - [ 0.0007613400000000, -0.0016639300000000, 0.0012964400000000 ] - [ 0.0004130600000000, -0.0011987700000000, 0.0008016000000000 ] - [ -0.0010923900000000, 0.0010839500000000, -0.0000144000000000 ] - [ 0.0000527400000000, 0.0004559800000000, -0.0015939900000000 ] - [ -0.0008830500000000, 0.0014481600000000, -0.0009995500000000 ] - [ 0.0002269700000000, -0.0009200600000000, 0.0004677500000000 ] - [ -0.0016537300000000, -0.0011517400000000, 0.0006943900000000 ] - [ 0.0007449500000000, -0.0009495100000000, -0.0020773100000000 ] - [ -0.0014243100000000, -0.0025047000000000, -0.0018462100000000 ] - [ -0.0009888900000000, 0.0000684500000000, 0.0014860300000000 ] - [ -0.0025126200000000, -0.0008915200000000, -0.0005103500000000 ] - [ 0.0018358700000000, 0.0002991800000000, -0.0005735700000000 ] - [ -0.0015079000000000, -0.0003332400000000, -0.0005750100000000 ] - [ -0.0000488100000000, 0.0002453600000000, 0.0009426000000000 ] - [ -0.0030296900000000, 0.0000876200000000, 0.0011438800000000 ] - [ 0.0525233400000000, 0.0101099800000000, 0.0037218300000000 ] - [ -0.0008064200000000, 0.0000103700000000, 0.0006951400000000 ] - [ -0.0002049800000000, 0.0001096900000000, 0.0020229100000000 ] - [ -0.2489961100000000, -0.1491968300000000, 0.1003122000000000 ] - [ 0.0016725700000000, -0.0001820800000000, -0.0000012600000000 ] - [ -0.0001824200000000, -0.0008704600000000, -0.0004321800000000 ] - [ 0.0003860100000000, -0.0005284800000000, 0.0000779300000000 ] - [ -0.0115393400000000, 0.0038485900000000, 0.0021899000000000 ] - [ 0.0016025500000000, 0.0001048900000000, 0.0000358700000000 ] - [ -0.0000708300000000, 0.0007635500000000, -0.0003707800000000 ] - [ 0.0003755700000000, 0.0005011900000000, 0.0001006600000000 ] - [ -0.0022385000000000, 0.0008804200000000, -0.0006047000000000 ] - [ 0.0010665200000000, 0.0002069800000000, 0.0003967800000000 ] - [ -0.0013102400000000, -0.0002797600000000, 0.0001452600000000 ] - [ 0.0006309400000000, 0.0001638300000000, 0.0006510200000000 ] - [ -0.0038517200000000, -0.0026860900000000, -0.0017853600000000 ] - [ 0.0009860200000000, -0.0000830700000000, -0.0000177500000000 ] - [ -0.0017068900000000, 0.0004874300000000, -0.0051327500000000 ] - [ 0.0011918500000000, -0.0001263200000000, -0.0000020300000000 ] - [ 0.0010587700000000, -0.0035652200000000, -0.0375943200000000 ] - [ 0.0002893200000000, -0.0002383700000000, 0.0002971500000000 ] - [ -0.0015531600000000, -0.0009996100000000, -0.0010290000000000 ] - [ -0.0004556300000000, -0.0002692500000000, -0.0001870400000000 ] - [ -0.0046728900000000, -0.0016288200000000, 0.0007757000000000 ] - [ 0.0003161700000000, 0.0002755000000000, 0.0003337200000000 ] - [ -0.0015001000000000, 0.0009336100000000, -0.0012183600000000 ] - [ -0.0004756800000000, 0.0002521400000000, -0.0001733600000000 ] - [ -0.0010246200000000, 0.0003246200000000, -0.0012097200000000 ] - [ -0.0001578500000000, 0.0000441800000000, -0.0003053700000000 ] - [ -0.0044904600000000, 0.0011017400000000, 0.0024159700000000 ] - [ 0.0005221100000000, 0.0000784000000000, -0.0004093600000000 ] - [ -0.0021589200000000, 0.0057774900000000, 0.0001405100000000 ] - [ 0.0011182600000000, 0.0010958900000000, 0.0000453800000000 ] - [ -0.0004114000000000, 0.0009711800000000, -0.0005531800000000 ] - [ 0.0001405500000000, 0.0006903500000000, -0.0002168100000000 ] - [ 0.0210943600000000, 0.0408959200000000, -0.0088766700000000 ] - [ 0.0014345300000000, -0.0010016100000000, 0.0001027600000000 ] - [ -0.0004618900000000, -0.0008585900000000, -0.0005677200000000 ] - [ 0.0001505300000000, -0.0006814900000000, -0.0002298900000000 ] - [ 0.0003996400000000, -0.0007242100000000, -0.0001656300000000 ] - [ -0.0001328300000000, -0.0002910800000000, 0.0009403600000000 ] - [ 0.0001980200000000, -0.0010870300000000, 0.0005932300000000 ] - [ 0.0009105700000000, 0.0016652100000000, -0.0022303500000000 ] - [ 0.0011453100000000, 0.0002620500000000, -0.0006661300000000 ] - [ -0.0001574400000000, 0.0003940300000000, 0.0008651800000000 ] - [ 0.0015799400000000, 0.0007107200000000, 0.0017653500000000 ] - [ 0.0010849800000000, -0.0008846300000000, -0.0018516800000000 ] - [ 0.0028980100000000, -0.0006566200000000, 0.0003719000000000 ] - [ 0.0369958400000000, 0.0301822700000000, -0.0044713800000000 ] - [ 0.0009539500000000, -0.0000880200000000, -0.0000267800000000 ] - [ 0.0005785200000000, 0.0000121400000000, -0.0002922700000000 ] - [ 0.0015109200000000, 0.0000497500000000, -0.0002078900000000 ] - [ 0.0002532900000000, 0.0004156900000000, 0.0005898200000000 ] - [ 0.0009879500000000, -0.0003763800000000, 0.0004214500000000 ] - [ 0.0006896300000000, 0.0004893900000000, -0.0009780000000000 ] - [ 0.0025236800000000, 0.0007077800000000, -0.0007480100000000 ] - [ 0.0002301600000000, -0.0006304600000000, 0.0014808700000000 ] - [ 0.0010378900000000, 0.0009784800000000, 0.0009094200000000 ] - [ 0.0009356900000000, -0.0005922900000000, -0.0015850400000000 ] - [ 0.0014658700000000, 0.0003432400000000, 0.0010332000000000 ] - [ -0.0039907400000000, -0.0010994400000000, 0.0005836300000000 ] - [ 0.0000420100000000, 0.0000686200000000, 0.0007630000000000 ] - [ -0.0006923700000000, -0.0000181200000000, -0.0004722500000000 ] - [ 0.0013425800000000, -0.0001217700000000, -0.0005881100000000 ] - [ -0.0067290000000000, 0.0147896000000000, 0.0245790500000000 ] - [ 0.0003040500000000, -0.0000594900000000, -0.0002831700000000 ] - [ -0.0001816100000000, -0.0000403700000000, -0.0018622800000000 ] - [ 0.0003633000000000, -0.0006750600000000, -0.0003754800000000 ] - [ -0.0010120200000000, -0.0000168700000000, -0.0002782600000000 ] - [ 0.0004821700000000, -0.0005799200000000, 0.0000941700000000 ] - [ -0.0015465400000000, 0.0003144400000000, -0.0003387500000000 ] - [ 0.0007887400000000, 0.0010346800000000, -0.0006924000000000 ] - [ -0.0013568200000000, 0.0003561500000000, -0.0001154200000000 ] - [ 0.0011019500000000, 0.0012204900000000, 0.0003883400000000 ] - [ -0.0004011100000000, -0.0021848300000000, -0.0024230200000000 ]- atom: 65 displacement: [ -0.0099999999923824, 0.0000000000000000, 0.0000003903221875 ] forces: - [ -0.0001928200000000, 0.0002160300000000, -0.0023108900000000 ] - [ 0.0002449600000000, -0.0001601200000000, 0.0003828600000000 ] - [ -0.0041373200000000, -0.0015931300000000, -0.0007487500000000 ] - [ 0.0009833800000000, -0.0002180500000000, 0.0001297100000000 ] - [ -0.0002760600000000, -0.0000147200000000, -0.0002310100000000 ] - [ 0.0001965100000000, 0.0001573800000000, 0.0003667100000000 ] - [ -0.0013078000000000, 0.0005907800000000, 0.0003084200000000 ] - [ 0.0008473300000000, 0.0002086000000000, 0.0000980300000000 ] - [ 0.0004277600000000, 0.0020624700000000, -0.0018756500000000 ] - [ -0.0000288200000000, -0.0000772700000000, 0.0005045200000000 ] - [ -0.0006955300000000, 0.0001026900000000, 0.0004460000000000 ] - [ 0.0001962600000000, -0.0000245800000000, -0.0000017500000000 ] - [ 0.0021974600000000, -0.0015360600000000, -0.0008737600000000 ] - [ 0.0018278100000000, 0.0000757600000000, 0.0022652900000000 ] - [ -0.0001129000000000, -0.0001629100000000, 0.0000935000000000 ] - [ 0.0008119100000000, 0.0000301000000000, -0.0008411900000000 ] - [ 0.0007770200000000, 0.0002058300000000, -0.0000784600000000 ] - [ -0.0002849000000000, 0.0023430300000000, 0.0002654500000000 ] - [ 0.0000346100000000, -0.0000238300000000, -0.0002552500000000 ] - [ 0.0001137400000000, -0.0000317600000000, -0.0004556400000000 ] - [ 0.0034291600000000, -0.0001692600000000, 0.0003022000000000 ] - [ 0.0013670000000000, -0.0031422400000000, 0.0004836600000000 ] - [ 0.0000708000000000, 0.0000379000000000, -0.0002822700000000 ] - [ 0.0000960900000000, 0.0000355800000000, -0.0005245500000000 ] - [ -0.0111389100000000, 0.0100968400000000, 0.0046155500000000 ] - [ 0.0024471300000000, -0.0000679600000000, 0.0002175400000000 ] - [ -0.0001314700000000, 0.0001246100000000, -0.0010711600000000 ] - [ 0.0008039200000000, 0.0000121000000000, 0.0000380200000000 ] - [ 0.0007795300000000, -0.0005244900000000, -0.0005036400000000 ] - [ -0.0018722700000000, -0.0000537300000000, 0.0007159400000000 ] - [ 0.0015192000000000, -0.0011898900000000, 0.0012772600000000 ] - [ 0.0017259600000000, 0.0011002500000000, -0.0123385000000000 ] - [ -0.0004638000000000, 0.0003199800000000, -0.0023346800000000 ] - [ 0.0011657300000000, 0.0002844500000000, -0.0008706000000000 ] - [ -0.0045695600000000, -0.0014901700000000, -0.0007551200000000 ] - [ 0.0019402400000000, 0.0005811500000000, -0.0006519700000000 ] - [ -0.0180319000000000, -0.0126390900000000, -0.0006431200000000 ] - [ 0.0027552400000000, -0.0000395100000000, 0.0008337700000000 ] - [ 0.0002374800000000, -0.0003198900000000, -0.0028662500000000 ] - [ 0.0016491400000000, -0.0000298700000000, 0.0006639500000000 ] - [ -0.1384814300000000, -0.0532403000000000, 0.0871428200000000 ] - [ 0.0023556500000000, 0.0015301500000000, 0.0004909600000000 ] - [ 0.0005595400000000, 0.0007977300000000, -0.0000861100000000 ] - [ 0.0009814900000000, 0.0012359800000000, 0.0004076000000000 ] - [ -0.0044483600000000, 0.0009950000000000, 0.0030553400000000 ] - [ 0.0022462000000000, -0.0012059000000000, 0.0005113500000000 ] - [ 0.0005988900000000, -0.0007582000000000, -0.0000876600000000 ] - [ 0.0009470800000000, -0.0012245400000000, 0.0004089400000000 ] - [ -0.0002679200000000, 0.0013399000000000, -0.0011952600000000 ] - [ -0.0014155700000000, 0.0019703100000000, 0.0003910500000000 ] - [ -0.0004777500000000, 0.0009736000000000, -0.0002067500000000 ] - [ -0.0015798500000000, 0.0033329400000000, -0.0016742200000000 ] - [ 0.0002938100000000, -0.0012726500000000, -0.0019052700000000 ] - [ -0.0021076700000000, -0.0014772600000000, 0.0008690200000000 ] - [ 0.0000657400000000, 0.0000871800000000, 0.0006431900000000 ] - [ -0.0003653600000000, -0.0024824400000000, -0.0026932600000000 ] - [ 0.0004968100000000, 0.0008926500000000, 0.0000718400000000 ] - [ -0.0038540400000000, -0.0002920600000000, 0.0001552100000000 ] - [ -0.0005078400000000, 0.0003345500000000, 0.0001427100000000 ] - [ -0.0019646900000000, -0.0002465400000000, -0.0013757700000000 ] - [ 0.0022172700000000, -0.0000873500000000, 0.0005300900000000 ] - [ -0.0523922600000000, -0.0079604600000000, -0.0014445300000000 ] - [ -0.0000086200000000, -0.0000103600000000, 0.0009852700000000 ] - [ -0.0006099000000000, -0.0001096000000000, -0.0003428300000000 ] - [ 0.2523884100000000, 0.1502090300000000, -0.1068070400000000 ] - [ -0.0015366300000000, -0.0010528500000000, 0.0002892800000000 ] - [ 0.0003188100000000, -0.0003656100000000, 0.0007192100000000 ] - [ -0.0002484800000000, -0.0007073600000000, 0.0002074300000000 ] - [ 0.0116636200000000, -0.0028384900000000, -0.0019186200000000 ] - [ -0.0014664900000000, 0.0011318700000000, 0.0002514900000000 ] - [ 0.0002075000000000, 0.0004726200000000, 0.0006572900000000 ] - [ -0.0002378600000000, 0.0007339400000000, 0.0001854400000000 ] - [ 0.0024226100000000, -0.0008840500000000, 0.0015012600000000 ] - [ -0.0008879800000000, -0.0002069800000000, 0.0005003900000000 ] - [ 0.0014851700000000, 0.0002801700000000, 0.0007509400000000 ] - [ -0.0004528100000000, -0.0001641700000000, 0.0002426100000000 ] - [ 0.0043092900000000, 0.0026959000000000, 0.0007383500000000 ] - [ -0.0005323000000000, 0.0000831100000000, -0.0010311000000000 ] - [ 0.0021507900000000, -0.0004889000000000, 0.0040822300000000 ] - [ -0.0007356600000000, 0.0001266900000000, -0.0010526100000000 ] - [ -0.0027156600000000, 0.0028604500000000, 0.0376796500000000 ] - [ -0.0021466800000000, -0.0004119400000000, -0.0005157200000000 ] - [ -0.0003033600000000, 0.0003476900000000, 0.0008067300000000 ] - [ -0.0014009100000000, -0.0003828800000000, -0.0000377700000000 ] - [ 0.0028332100000000, 0.0022817600000000, -0.0010065100000000 ] - [ -0.0021728700000000, 0.0003754900000000, -0.0005516200000000 ] - [ -0.0003567100000000, -0.0002814000000000, 0.0009954000000000 ] - [ -0.0013805700000000, 0.0004005600000000, -0.0000513300000000 ] - [ -0.0003455300000000, -0.0003258400000000, 0.0007424100000000 ] - [ -0.0012115600000000, -0.0000445500000000, -0.0001650500000000 ] - [ 0.0031265200000000, -0.0010951000000000, -0.0028842700000000 ] - [ -0.0018920900000000, -0.0000788100000000, -0.0000583000000000 ] - [ 0.0018895600000000, -0.0045435300000000, -0.0004449900000000 ] - [ -0.0014039800000000, 0.0001788800000000, -0.0003482000000000 ] - [ 0.0001206500000000, 0.0003023800000000, 0.0002499200000000 ] - [ -0.0004313100000000, 0.0005820100000000, -0.0000863800000000 ] - [ -0.0216084900000000, -0.0428008600000000, 0.0087845800000000 ] - [ -0.0017183500000000, -0.0002717200000000, -0.0004065000000000 ] - [ 0.0001719200000000, -0.0004148000000000, 0.0002643300000000 ] - [ -0.0004412000000000, -0.0005907800000000, -0.0000735000000000 ] - [ -0.0001090100000000, -0.0005491100000000, 0.0004703600000000 ] - [ 0.0004209100000000, -0.0009840600000000, -0.0006430800000000 ] - [ 0.0000928200000000, -0.0001848100000000, -0.0002909100000000 ] - [ -0.0006197000000000, -0.0029295800000000, 0.0025190900000000 ] - [ -0.0008539400000000, 0.0010124400000000, 0.0009707200000000 ] - [ 0.0004462800000000, 0.0008839700000000, -0.0005638300000000 ] - [ -0.0012945400000000, 0.0005621500000000, -0.0014690900000000 ] - [ -0.0008004700000000, 0.0021550300000000, 0.0021517900000000 ] - [ -0.0015351800000000, 0.0006599100000000, 0.0000966300000000 ] - [ -0.0350080300000000, -0.0296257500000000, 0.0048729700000000 ] - [ 0.0004154600000000, 0.0000886100000000, 0.0004953800000000 ] - [ 0.0007893100000000, -0.0000115100000000, 0.0007606400000000 ] - [ 0.0003456300000000, -0.0007014900000000, 0.0004327500000000 ] - [ 0.0016025900000000, -0.0010703500000000, -0.0003745100000000 ] - [ 0.0008703300000000, -0.0002757500000000, -0.0002005100000000 ] - [ 0.0011661200000000, -0.0011392400000000, 0.0011981000000000 ] - [ -0.0006684600000000, -0.0000562400000000, 0.0009749600000000 ] - [ 0.0016255200000000, 0.0012779600000000, -0.0012568600000000 ] - [ 0.0008205400000000, -0.0003283800000000, -0.0006898700000000 ] - [ 0.0009196700000000, 0.0012434700000000, 0.0018082000000000 ] - [ -0.0019200900000000, -0.0003441000000000, 0.0000145600000000 ] - [ 0.0035451100000000, 0.0011125400000000, 0.0004515600000000 ] - [ -0.0004914500000000, -0.0000686700000000, 0.0002832900000000 ] - [ 0.0002398300000000, 0.0000186300000000, 0.0015183500000000 ] - [ -0.0015209700000000, 0.0001220100000000, -0.0003040800000000 ] - [ 0.0063835900000000, -0.0148027800000000, -0.0255239400000000 ] - [ -0.0004803700000000, 0.0000597800000000, -0.0006146300000000 ] - [ 0.0000035100000000, 0.0000402900000000, 0.0009673000000000 ] - [ -0.0004988600000000, -0.0005604200000000, 0.0000907000000000 ] - [ 0.0008779000000000, -0.0012204100000000, -0.0000092100000000 ] - [ -0.0006185500000000, -0.0006556300000000, -0.0003826700000000 ] - [ 0.0014028100000000, -0.0015463500000000, 0.0000532100000000 ] - [ -0.0009248400000000, 0.0002012700000000, 0.0004084400000000 ] - [ 0.0012212700000000, 0.0008806400000000, -0.0001691500000000 ] - [ -0.0012403200000000, 0.0000144800000000, -0.0006766900000000 ] - [ 0.0002524400000000, 0.0034101900000000, 0.0021327600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001250700000000, 0.0002861200000000, 0.0008309900000000 ] - [ -0.0002599200000000, 0.0000948200000000, 0.0001378400000000 ] - [ 0.0012599100000000, 0.0039153700000000, 0.0012732600000000 ] - [ -0.0004532500000000, 0.0001416500000000, 0.0001770700000000 ] - [ 0.0001612400000000, -0.0003071100000000, -0.0001191400000000 ] - [ -0.0003117600000000, -0.0000721200000000, 0.0000789100000000 ] - [ 0.0005522600000000, -0.0016740700000000, 0.0020354600000000 ] - [ -0.0004727900000000, -0.0001002500000000, 0.0002313400000000 ] - [ -0.0007872900000000, -0.0020219700000000, 0.0021402000000000 ] - [ -0.0002042100000000, -0.0001829600000000, 0.0002375800000000 ] - [ -0.0003529900000000, -0.0001517200000000, -0.0003471600000000 ] - [ -0.0004276800000000, -0.0000662300000000, 0.0001557200000000 ] - [ 0.0003782000000000, 0.0010229800000000, -0.0000624700000000 ] - [ -0.0011807500000000, 0.0004453800000000, -0.0013272000000000 ] - [ 0.0005969900000000, 0.0001805100000000, -0.0001214700000000 ] - [ 0.0000732700000000, 0.0000802100000000, 0.0000287600000000 ] - [ 0.0002317200000000, -0.0006786900000000, -0.0001877900000000 ] - [ -0.0010549800000000, -0.0026446900000000, -0.0003061000000000 ] - [ 0.0001275000000000, -0.0001201600000000, -0.0001691700000000 ] - [ 0.0000734000000000, -0.0002147000000000, -0.0001960600000000 ] - [ -0.0027499600000000, 0.0009746900000000, -0.0006464100000000 ] - [ 0.0027031900000000, 0.0024353800000000, -0.0002737000000000 ] - [ 0.0001041100000000, 0.0001090400000000, -0.0001790000000000 ] - [ 0.0000787800000000, 0.0002148000000000, -0.0001987800000000 ] - [ 0.0045476900000000, -0.0186292100000000, -0.0026632000000000 ] - [ -0.0006390600000000, -0.0003561600000000, -0.0000410100000000 ] - [ 0.0002547800000000, -0.0001092900000000, 0.0003372400000000 ] - [ 0.0000126200000000, -0.0000623900000000, 0.0000903100000000 ] - [ -0.0005767300000000, 0.0003407000000000, 0.0000138300000000 ] - [ -0.0006310500000000, 0.0003879900000000, -0.0020920600000000 ] - [ -0.0001302700000000, 0.0010884200000000, -0.0000619400000000 ] - [ -0.0028441600000000, 0.0008409900000000, 0.0066953200000000 ] - [ 0.0008050300000000, -0.0004005100000000, 0.0007592400000000 ] - [ 0.0001082700000000, -0.0002549500000000, -0.0006371900000000 ] - [ 0.0034124000000000, -0.0018532000000000, -0.0022730300000000 ] - [ -0.0001728400000000, -0.0006528900000000, -0.0010627600000000 ] - [ 0.0121555400000000, 0.0071092500000000, -0.0034444100000000 ] - [ 0.0002952500000000, 0.0002336800000000, -0.0000028500000000 ] - [ 0.0017017500000000, 0.0004080600000000, 0.0026895800000000 ] - [ 0.0008010300000000, 0.0000838200000000, 0.0000901400000000 ] - [ 0.0560753800000000, 0.0891480500000000, -0.0403611300000000 ] - [ 0.0001582500000000, 0.0018130500000000, 0.0009400100000000 ] - [ 0.0008820300000000, 0.0016636300000000, 0.0007240500000000 ] - [ 0.0005913400000000, 0.0012773500000000, 0.0006143800000000 ] - [ 0.0157342400000000, -0.0090015900000000, -0.0091590300000000 ] - [ 0.0000053100000000, -0.0016348200000000, 0.0008164900000000 ] - [ 0.0008485900000000, -0.0017841300000000, 0.0009293500000000 ] - [ 0.0005846200000000, -0.0012683200000000, 0.0006327900000000 ] - [ -0.0006760700000000, 0.0008029700000000, -0.0002314600000000 ] - [ -0.0003987200000000, -0.0003805400000000, -0.0008431100000000 ] - [ -0.0004209600000000, 0.0004168600000000, -0.0005786400000000 ] - [ -0.0000107200000000, -0.0003657600000000, -0.0000752100000000 ] - [ -0.0010057500000000, -0.0005554100000000, 0.0005917800000000 ] - [ -0.0002932700000000, 0.0005597500000000, 0.0005199400000000 ] - [ -0.0009174900000000, -0.0012523200000000, -0.0015529600000000 ] - [ 0.0015360500000000, 0.0014723400000000, -0.0014132600000000 ] - [ -0.0018167800000000, -0.0009010000000000, 0.0000545200000000 ] - [ 0.0007569500000000, -0.0015229700000000, 0.0036685000000000 ] - [ -0.0011624200000000, -0.0003535500000000, -0.0004719800000000 ] - [ -0.0002111100000000, -0.0004780100000000, -0.0003977400000000 ] - [ -0.0009950500000000, 0.0002810800000000, 0.0008188000000000 ] - [ 0.0127605900000000, 0.0678993100000000, 0.0186747800000000 ] - [ -0.0005102700000000, 0.0000427000000000, 0.0007630700000000 ] - [ -0.0001314400000000, 0.0001109000000000, 0.0012119000000000 ] - [ -0.1505884700000000, -0.2400029900000000, 0.0134453300000000 ] - [ 0.0005054000000000, -0.0008650600000000, 0.0000899100000000 ] - [ -0.0001853000000000, -0.0009387600000000, 0.0000875600000000 ] - [ 0.0001582700000000, -0.0006511200000000, 0.0001466000000000 ] - [ -0.0032671600000000, 0.0510746500000000, 0.0077081400000000 ] - [ 0.0005843000000000, 0.0005125300000000, 0.0000868200000000 ] - [ -0.0000778100000000, 0.0008300100000000, 0.0000513600000000 ] - [ 0.0001852800000000, 0.0005914300000000, 0.0001604100000000 ] - [ -0.0006015200000000, 0.0009709400000000, -0.0015784000000000 ] - [ 0.0005626600000000, 0.0002210300000000, 0.0001932700000000 ] - [ -0.0008494300000000, 0.0003669800000000, 0.0013907700000000 ] - [ 0.0002672100000000, 0.0001922200000000, 0.0006603400000000 ] - [ -0.0015576600000000, -0.0013332700000000, 0.0010194200000000 ] - [ 0.0005325900000000, -0.0000959800000000, -0.0003291000000000 ] - [ 0.0002441200000000, -0.0002665300000000, -0.0048483200000000 ] - [ 0.0005100800000000, -0.0001536100000000, -0.0004154000000000 ] - [ -0.0007482200000000, -0.0184519900000000, -0.0021439900000000 ] - [ -0.0003717300000000, -0.0006635800000000, -0.0001646200000000 ] - [ -0.0013487100000000, -0.0009893200000000, -0.0005606800000000 ] - [ -0.0007816700000000, -0.0003790000000000, -0.0001187100000000 ] - [ -0.0045481100000000, -0.0011402600000000, 0.0034604300000000 ] - [ -0.0002199400000000, 0.0004129300000000, -0.0000080500000000 ] - [ -0.0012530200000000, 0.0007749700000000, -0.0008591300000000 ] - [ -0.0007469700000000, 0.0003047900000000, -0.0001248300000000 ] - [ -0.0006882700000000, 0.0002005100000000, -0.0008301700000000 ] - [ -0.0004499900000000, 0.0000735600000000, -0.0003334500000000 ] - [ -0.0025562500000000, 0.0033010500000000, 0.0023686100000000 ] - [ -0.0002737600000000, 0.0001731100000000, -0.0002149800000000 ] - [ -0.0052172000000000, 0.0108157400000000, -0.0006092600000000 ] - [ 0.0004016000000000, 0.0013082100000000, -0.0001601300000000 ] - [ -0.0002570400000000, 0.0010706200000000, -0.0002954900000000 ] - [ -0.0000016500000000, 0.0007488200000000, -0.0001307600000000 ] - [ 0.0385943700000000, 0.0341044700000000, -0.0141581000000000 ] - [ -0.0001138500000000, -0.0010221000000000, -0.0002184100000000 ] - [ -0.0002984300000000, -0.0009350700000000, -0.0002589800000000 ] - [ -0.0000566500000000, -0.0007030500000000, -0.0001357300000000 ] - [ -0.0000733200000000, -0.0005214800000000, 0.0000810800000000 ] - [ 0.0003706400000000, 0.0004053800000000, 0.0008401000000000 ] - [ -0.0005711000000000, -0.0003886000000000, -0.0001654400000000 ] - [ 0.0005368800000000, 0.0008542200000000, -0.0011201300000000 ] - [ 0.0002486900000000, 0.0001281800000000, -0.0002949400000000 ] - [ 0.0002403000000000, -0.0007095100000000, 0.0003617300000000 ] - [ 0.0006291600000000, -0.0003334400000000, 0.0007846600000000 ] - [ 0.0002892200000000, -0.0016375200000000, -0.0009471800000000 ] - [ 0.0008542700000000, -0.0007012800000000, 0.0003393100000000 ] - [ 0.0238976600000000, 0.0066512200000000, -0.0030287300000000 ] - [ 0.0007349200000000, -0.0000692400000000, 0.0001692500000000 ] - [ 0.0007204700000000, -0.0000590500000000, 0.0003505300000000 ] - [ 0.0010303300000000, 0.0002750500000000, -0.0001873900000000 ] - [ 0.0003388000000000, 0.0015697700000000, -0.0008134700000000 ] - [ 0.0009619900000000, -0.0000011400000000, 0.0000924700000000 ] - [ 0.0006619800000000, 0.0004121300000000, -0.0004466100000000 ] - [ 0.0020717300000000, 0.0003394600000000, -0.0010335200000000 ] - [ 0.0002053700000000, -0.0002301100000000, -0.0014699900000000 ] - [ 0.0010136500000000, 0.0005636000000000, 0.0005735600000000 ] - [ 0.0003158500000000, -0.0000897000000000, 0.0005495700000000 ] - [ 0.0008416300000000, 0.0004745700000000, 0.0006311800000000 ] - [ -0.0025097600000000, 0.0055805100000000, -0.0017093100000000 ] - [ -0.0001180600000000, 0.0000760900000000, 0.0006780100000000 ] - [ -0.0004237700000000, 0.0000975200000000, 0.0005283400000000 ] - [ 0.0003735900000000, -0.0001772000000000, -0.0004996000000000 ] - [ 0.0072145400000000, 0.0091803700000000, 0.0273203800000000 ] - [ 0.0000204400000000, -0.0000737500000000, -0.0003845100000000 ] - [ 0.0000350400000000, -0.0001008900000000, -0.0014121400000000 ] - [ -0.0000097200000000, -0.0004631600000000, -0.0002601800000000 ] - [ -0.0006706200000000, 0.0002262900000000, -0.0004096700000000 ] - [ -0.0001058700000000, -0.0001590900000000, 0.0000493000000000 ] - [ -0.0009955100000000, 0.0013359900000000, -0.0003805400000000 ] - [ 0.0003510600000000, 0.0007123700000000, -0.0005927700000000 ] - [ -0.0003332400000000, 0.0002137700000000, -0.0006375000000000 ] - [ 0.0005370900000000, 0.0008046600000000, 0.0004734200000000 ] - [ -0.0028649800000000, 0.0005269400000000, 0.0021327500000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002964100000000, -0.0004032000000000, -0.0004321500000000 ] - [ 0.0000890200000000, -0.0002040600000000, 0.0002379600000000 ] - [ -0.0014246600000000, -0.0039995800000000, -0.0009294000000000 ] - [ 0.0002802200000000, -0.0002497900000000, 0.0002004500000000 ] - [ -0.0003313000000000, 0.0004208200000000, 0.0004859600000000 ] - [ 0.0001423300000000, 0.0001819500000000, 0.0002869900000000 ] - [ -0.0007161900000000, 0.0017817600000000, -0.0016538400000000 ] - [ 0.0003004000000000, 0.0002091700000000, 0.0001364500000000 ] - [ 0.0001376800000000, 0.0020089700000000, -0.0018076500000000 ] - [ -0.0004441600000000, 0.0001824700000000, 0.0000955700000000 ] - [ -0.0002922600000000, 0.0001495800000000, 0.0006849200000000 ] - [ -0.0002205200000000, 0.0000655900000000, 0.0001811200000000 ] - [ 0.0002510200000000, -0.0010075100000000, -0.0002733600000000 ] - [ 0.0018285300000000, -0.0004469400000000, 0.0009833500000000 ] - [ 0.0000505900000000, -0.0001787400000000, -0.0002145300000000 ] - [ 0.0005717700000000, -0.0000801700000000, -0.0003615300000000 ] - [ -0.0000580900000000, 0.0005721200000000, -0.0001791300000000 ] - [ 0.0012109500000000, 0.0025283000000000, -0.0000645600000000 ] - [ 0.0000417600000000, 0.0000106300000000, -0.0001967300000000 ] - [ 0.0000955600000000, 0.0001055400000000, -0.0001685200000000 ] - [ 0.0029097200000000, -0.0008748200000000, 0.0002680600000000 ] - [ -0.0024935500000000, -0.0023370000000000, -0.0000948900000000 ] - [ 0.0000656400000000, -0.0000017000000000, -0.0001967500000000 ] - [ 0.0000915000000000, -0.0001075200000000, -0.0001758100000000 ] - [ -0.0039626600000000, 0.0186003300000000, 0.0028291700000000 ] - [ 0.0011821500000000, 0.0003552500000000, 0.0002153700000000 ] - [ 0.0002937200000000, 0.0001078900000000, -0.0001666300000000 ] - [ 0.0005336500000000, 0.0000623000000000, 0.0000776300000000 ] - [ 0.0000246500000000, -0.0003360900000000, -0.0001831300000000 ] - [ 0.0001017500000000, -0.0003904200000000, 0.0019270800000000 ] - [ -0.0004224700000000, -0.0010776800000000, -0.0001117300000000 ] - [ 0.0022859800000000, -0.0008295900000000, -0.0068227500000000 ] - [ 0.0000127600000000, 0.0003963000000000, -0.0024408200000000 ] - [ 0.0007038500000000, 0.0002523600000000, -0.0010419200000000 ] - [ -0.0026052800000000, 0.0018426900000000, 0.0006068600000000 ] - [ 0.0009851200000000, 0.0006489000000000, -0.0006112700000000 ] - [ -0.0100744700000000, -0.0069606300000000, 0.0039134600000000 ] - [ 0.0017128000000000, -0.0002336000000000, 0.0004330200000000 ] - [ 0.0003171900000000, -0.0004054000000000, -0.0022453300000000 ] - [ 0.0012116100000000, -0.0000836400000000, 0.0003451900000000 ] - [ -0.0563264900000000, -0.0868412400000000, 0.0430367700000000 ] - [ 0.0011950700000000, 0.0006047800000000, 0.0002625200000000 ] - [ 0.0004763400000000, 0.0007574700000000, 0.0004856100000000 ] - [ 0.0007660800000000, 0.0011427200000000, 0.0005927200000000 ] - [ -0.0142583500000000, 0.0065923000000000, 0.0102596200000000 ] - [ 0.0013474400000000, -0.0007836400000000, 0.0003852400000000 ] - [ 0.0005099600000000, -0.0006391900000000, 0.0002818700000000 ] - [ 0.0007730600000000, -0.0011523600000000, 0.0005744300000000 ] - [ -0.0006849200000000, 0.0016222800000000, -0.0009774400000000 ] - [ -0.0009594900000000, 0.0028079400000000, -0.0003703500000000 ] - [ -0.0009380800000000, 0.0020030000000000, -0.0006233200000000 ] - [ -0.0013516500000000, 0.0027836900000000, -0.0011218400000000 ] - [ -0.0003606000000000, -0.0018749500000000, -0.0017984200000000 ] - [ -0.0010582200000000, -0.0029863800000000, -0.0017331600000000 ] - [ -0.0004482500000000, -0.0011820600000000, 0.0003461600000000 ] - [ -0.0028890100000000, -0.0038879100000000, 0.0002064600000000 ] - [ -0.0002002000000000, 0.0008955800000000, -0.0004972200000000 ] - [ -0.0027724200000000, 0.0015201200000000, -0.0041351100000000 ] - [ -0.0008529900000000, 0.0003499500000000, 0.0000378400000000 ] - [ -0.0018027900000000, 0.0004751300000000, -0.0000311500000000 ] - [ 0.0001700500000000, -0.0002812100000000, 0.0008565100000000 ] - [ -0.0099893800000000, -0.0629242800000000, -0.0149880400000000 ] - [ -0.0003081400000000, -0.0000429200000000, 0.0009149800000000 ] - [ -0.0006834100000000, -0.0001094200000000, 0.0004727500000000 ] - [ 0.1488240900000000, 0.2330681300000000, -0.0167047400000000 ] - [ -0.0003661800000000, -0.0003670900000000, 0.0001919800000000 ] - [ 0.0003193200000000, -0.0002973200000000, 0.0001905400000000 ] - [ -0.0000207500000000, -0.0005828000000000, 0.0001328900000000 ] - [ 0.0034209600000000, -0.0487191300000000, -0.0073546400000000 ] - [ -0.0004436700000000, 0.0007181500000000, 0.0001937700000000 ] - [ 0.0002132100000000, 0.0004035300000000, 0.0002274000000000 ] - [ -0.0000478600000000, 0.0006407000000000, 0.0001201300000000 ] - [ 0.0007706100000000, -0.0009637900000000, 0.0024822000000000 ] - [ -0.0003834700000000, -0.0002199900000000, 0.0007031500000000 ] - [ 0.0010266300000000, -0.0003645700000000, -0.0005018900000000 ] - [ -0.0000896700000000, -0.0001913600000000, 0.0002316000000000 ] - [ 0.0019836500000000, 0.0013054300000000, -0.0020931700000000 ] - [ -0.0000795500000000, 0.0000946600000000, -0.0007212600000000 ] - [ 0.0002039800000000, 0.0002537500000000, 0.0037665000000000 ] - [ -0.0000487200000000, 0.0001517500000000, -0.0006365900000000 ] - [ -0.0009406500000000, 0.0177989800000000, 0.0015906200000000 ] - [ -0.0014834800000000, 0.0000161700000000, -0.0000528300000000 ] - [ -0.0005114400000000, 0.0003375700000000, 0.0003354600000000 ] - [ -0.0010749600000000, -0.0002685500000000, -0.0001041000000000 ] - [ 0.0026811600000000, 0.0017313700000000, -0.0036321700000000 ] - [ -0.0016345300000000, 0.0002328400000000, -0.0002087900000000 ] - [ -0.0006057300000000, -0.0001265600000000, 0.0006317300000000 ] - [ -0.0011093300000000, 0.0003416900000000, -0.0000976600000000 ] - [ -0.0006798800000000, -0.0001978000000000, 0.0003617200000000 ] - [ -0.0009119300000000, -0.0000739200000000, -0.0001310900000000 ] - [ 0.0011875500000000, -0.0032983600000000, -0.0028467500000000 ] - [ -0.0010868100000000, -0.0001729200000000, -0.0002488100000000 ] - [ 0.0048695500000000, -0.0095061900000000, 0.0003098100000000 ] - [ -0.0006779300000000, -0.0000370100000000, -0.0001459600000000 ] - [ -0.0000313700000000, 0.0002003600000000, -0.0000118600000000 ] - [ -0.0002811500000000, 0.0005203400000000, -0.0001763500000000 ] - [ -0.0396372000000000, -0.0356090400000000, 0.0140571800000000 ] - [ -0.0001632800000000, -0.0002488000000000, -0.0000885200000000 ] - [ 0.0000095500000000, -0.0003352000000000, -0.0000487000000000 ] - [ -0.0002271900000000, -0.0005678600000000, -0.0001720200000000 ] - [ 0.0003625500000000, -0.0007516200000000, 0.0002243900000000 ] - [ -0.0000874800000000, -0.0016806400000000, -0.0005322400000000 ] - [ 0.0008517100000000, -0.0008886700000000, 0.0004702500000000 ] - [ -0.0002479900000000, -0.0021190600000000, 0.0014146500000000 ] - [ 0.0000503000000000, 0.0011417000000000, 0.0005960800000000 ] - [ 0.0000437800000000, 0.0019825900000000, -0.0000530700000000 ] - [ -0.0003302800000000, 0.0016082900000000, -0.0004682100000000 ] - [ -0.0000033600000000, 0.0028973500000000, 0.0012443300000000 ] - [ 0.0005169400000000, 0.0006972900000000, 0.0001281400000000 ] - [ -0.0222370100000000, -0.0066265500000000, 0.0034831500000000 ] - [ 0.0006304200000000, 0.0000683900000000, 0.0002989800000000 ] - [ 0.0006415600000000, 0.0000589900000000, 0.0001126100000000 ] - [ 0.0008259800000000, -0.0009223300000000, 0.0004130500000000 ] - [ 0.0015213400000000, -0.0022234700000000, 0.0010452500000000 ] - [ 0.0008956800000000, -0.0006444700000000, 0.0001263500000000 ] - [ 0.0011976100000000, -0.0010583500000000, 0.0006607900000000 ] - [ -0.0002110300000000, 0.0003135200000000, 0.0012614400000000 ] - [ 0.0016537500000000, 0.0008815800000000, 0.0017026300000000 ] - [ 0.0008453100000000, 0.0000874000000000, -0.0003499800000000 ] - [ 0.0015418200000000, 0.0007367200000000, -0.0003294300000000 ] - [ -0.0012991600000000, -0.0004739300000000, 0.0004212800000000 ] - [ 0.0020650900000000, -0.0056047900000000, 0.0027837300000000 ] - [ -0.0003378300000000, -0.0000757000000000, 0.0003741300000000 ] - [ -0.0000316300000000, -0.0000971200000000, 0.0005198700000000 ] - [ -0.0005442700000000, 0.0001759500000000, -0.0003919700000000 ] - [ -0.0073386200000000, -0.0092794900000000, -0.0280427300000000 ] - [ -0.0001944300000000, 0.0000726100000000, -0.0005104500000000 ] - [ -0.0002110800000000, 0.0000996400000000, 0.0005101400000000 ] - [ -0.0001238400000000, -0.0007714700000000, -0.0000196300000000 ] - [ 0.0005319600000000, -0.0014609100000000, 0.0001295200000000 ] - [ -0.0000306400000000, -0.0010733600000000, -0.0003326800000000 ] - [ 0.0008649600000000, -0.0025651600000000, 0.0000900000000000 ] - [ -0.0004816900000000, 0.0005253800000000, 0.0003119400000000 ] - [ 0.0001915300000000, 0.0010247700000000, 0.0003591600000000 ] - [ -0.0006690800000000, 0.0004339400000000, -0.0007565900000000 ] - [ 0.0027300700000000, 0.0007196300000000, -0.0024172600000000 ]- atom: 65 displacement: [ -0.0015728055973509, 0.0000000000000000, 0.0098755396081906 ] forces: - [ 0.0002287600000000, 0.0008183800000000, -0.0028419400000000 ] - [ -0.0002853000000000, -0.0000427000000000, 0.0000628500000000 ] - [ 0.0001067800000000, 0.0002487800000000, 0.0071684400000000 ] - [ 0.0004242600000000, -0.0001306400000000, 0.0002990500000000 ] - [ 0.0002715600000000, -0.0005096800000000, -0.0006248700000000 ] - [ -0.0003381100000000, 0.0000301100000000, 0.0000626300000000 ] - [ -0.0006605000000000, 0.0015195300000000, -0.0000363200000000 ] - [ 0.0003440500000000, 0.0001441200000000, 0.0002683700000000 ] - [ 0.0002390900000000, 0.0013045200000000, -0.0000896800000000 ] - [ -0.0006010000000000, -0.0000022900000000, 0.0005737600000000 ] - [ -0.0005744400000000, -0.0001557500000000, -0.0002742300000000 ] - [ 0.0000557200000000, -0.0000553600000000, -0.0001472500000000 ] - [ 0.0028090400000000, -0.0015952900000000, 0.0001119300000000 ] - [ -0.0010463700000000, 0.0000743400000000, 0.0012854700000000 ] - [ -0.0002035300000000, 0.0001647600000000, -0.0008619900000000 ] - [ 0.0007194300000000, 0.0000707900000000, -0.0009141200000000 ] - [ 0.0002867400000000, 0.0000447000000000, 0.0003542100000000 ] - [ -0.0000524900000000, 0.0007396900000000, 0.0010026000000000 ] - [ 0.0000219600000000, -0.0000734000000000, -0.0005973200000000 ] - [ 0.0001833500000000, -0.0001585000000000, -0.0009720400000000 ] - [ 0.0012397600000000, -0.0000520300000000, 0.0009327100000000 ] - [ 0.0015435200000000, -0.0014377100000000, 0.0026598500000000 ] - [ 0.0000416200000000, 0.0000851000000000, -0.0007273900000000 ] - [ 0.0001644900000000, 0.0001532400000000, -0.0010731000000000 ] - [ -0.0042613200000000, 0.0017694400000000, 0.0050522400000000 ] - [ 0.0010979800000000, -0.0000610200000000, 0.0009947800000000 ] - [ 0.0004315500000000, 0.0000470600000000, -0.0020201900000000 ] - [ 0.0002146500000000, -0.0000085100000000, -0.0008064700000000 ] - [ 0.0007870600000000, -0.0005765400000000, -0.0011023300000000 ] - [ -0.0024046700000000, 0.0002051200000000, -0.0039571700000000 ] - [ -0.0018365600000000, 0.0005647400000000, 0.0009384800000000 ] - [ 0.0047382500000000, 0.0019848100000000, -0.0038212100000000 ] - [ 0.0008539100000000, 0.0004202900000000, -0.0018132900000000 ] - [ 0.0008112900000000, 0.0002444000000000, -0.0008075100000000 ] - [ -0.0014849400000000, -0.0022907700000000, -0.0017739500000000 ] - [ 0.0004560300000000, -0.0000568400000000, -0.0009376400000000 ] - [ -0.0005979800000000, -0.0137283100000000, -0.0057837500000000 ] - [ 0.0016079300000000, -0.0000269500000000, 0.0006723800000000 ] - [ 0.0003556900000000, -0.0001769000000000, -0.0051635200000000 ] - [ 0.0010153600000000, 0.0000441500000000, -0.0001958400000000 ] - [ -0.1059803200000000, -0.0467744600000000, 0.1504713400000000 ] - [ 0.0011662000000000, 0.0015625200000000, 0.0014273800000000 ] - [ 0.0012813000000000, 0.0004477400000000, -0.0017135600000000 ] - [ 0.0007921800000000, 0.0010031900000000, -0.0001479600000000 ] - [ -0.0039370000000000, -0.0020155200000000, 0.0078398500000000 ] - [ 0.0011344700000000, -0.0013998100000000, 0.0014020700000000 ] - [ 0.0012298700000000, -0.0006282100000000, -0.0012787900000000 ] - [ 0.0007705100000000, -0.0009955400000000, -0.0001115600000000 ] - [ -0.0002412000000000, 0.0008933700000000, -0.0007929000000000 ] - [ -0.0008470800000000, -0.0000133900000000, -0.0006467900000000 ] - [ -0.0010938000000000, 0.0017994500000000, -0.0006562700000000 ] - [ -0.0005098900000000, 0.0021582200000000, -0.0015614100000000 ] - [ 0.0003753500000000, -0.0005152400000000, -0.0012051900000000 ] - [ -0.0014136000000000, -0.0003978000000000, -0.0009220300000000 ] - [ -0.0015661200000000, -0.0027006400000000, -0.0006912500000000 ] - [ 0.0012594400000000, -0.0010445200000000, -0.0031027400000000 ] - [ -0.0001233100000000, 0.0006565900000000, 0.0007415500000000 ] - [ -0.0017429800000000, 0.0005514000000000, 0.0019017900000000 ] - [ -0.0013591300000000, -0.0001780400000000, -0.0009414900000000 ] - [ -0.0011159800000000, -0.0004502200000000, -0.0020808600000000 ] - [ 0.0000280800000000, -0.0000753500000000, 0.0017392300000000 ] - [ -0.0042852900000000, 0.0156720100000000, 0.0597663800000000 ] - [ -0.0001311800000000, 0.0000160600000000, 0.0001294200000000 ] - [ 0.0004412400000000, -0.0000126500000000, -0.0016376700000000 ] - [ 0.1454115900000000, 0.0399915000000000, -0.2585767400000000 ] - [ -0.0003311600000000, -0.0007365600000000, -0.0003320300000000 ] - [ -0.0004609400000000, -0.0006274000000000, 0.0017532700000000 ] - [ -0.0000462400000000, -0.0006242700000000, 0.0006012500000000 ] - [ 0.0039323200000000, -0.0075022800000000, -0.0107236300000000 ] - [ -0.0002829300000000, 0.0007520800000000, -0.0003278600000000 ] - [ -0.0004188600000000, 0.0006808500000000, 0.0014911800000000 ] - [ -0.0000225300000000, 0.0006152200000000, 0.0005831800000000 ] - [ 0.0008562900000000, -0.0007192000000000, 0.0003960500000000 ] - [ -0.0004031000000000, -0.0001657700000000, 0.0002643700000000 ] - [ 0.0003946500000000, 0.0004426400000000, 0.0015858400000000 ] - [ 0.0001463500000000, 0.0000354800000000, 0.0006478800000000 ] - [ 0.0016503400000000, 0.0018413200000000, 0.0044321200000000 ] - [ -0.0000715200000000, 0.0000831200000000, -0.0007321300000000 ] - [ -0.0016079500000000, -0.0024307500000000, 0.0061888900000000 ] - [ 0.0002879500000000, -0.0000843300000000, -0.0004769800000000 ] - [ -0.0314679200000000, 0.0033444800000000, 0.0420416200000000 ] - [ -0.0011169800000000, -0.0005661000000000, -0.0008287100000000 ] - [ -0.0008136600000000, 0.0004517200000000, 0.0023745200000000 ] - [ -0.0011176700000000, -0.0001769600000000, 0.0004410000000000 ] - [ -0.0008739800000000, 0.0055797900000000, -0.0040452500000000 ] - [ -0.0011486700000000, 0.0005608700000000, -0.0008437600000000 ] - [ -0.0005780500000000, -0.0007119000000000, 0.0020784700000000 ] - [ -0.0010795400000000, 0.0001383600000000, 0.0004232100000000 ] - [ -0.0011249100000000, -0.0003264200000000, 0.0011034500000000 ] - [ -0.0007980400000000, -0.0000394400000000, 0.0001890000000000 ] - [ 0.0010181500000000, 0.0011885200000000, -0.0019435200000000 ] - [ -0.0009390800000000, 0.0000406500000000, -0.0005601600000000 ] - [ 0.0013705800000000, -0.0006825700000000, -0.0017266900000000 ] - [ -0.0006140500000000, 0.0005697400000000, -0.0006880200000000 ] - [ -0.0000956900000000, 0.0002164400000000, 0.0007318800000000 ] - [ -0.0000994300000000, 0.0005503700000000, 0.0003175500000000 ] - [ -0.0060502200000000, -0.0130102400000000, -0.0114228300000000 ] - [ -0.0007586100000000, -0.0006206700000000, -0.0007628900000000 ] - [ -0.0000647800000000, -0.0001842500000000, 0.0008719000000000 ] - [ -0.0001275400000000, -0.0005327900000000, 0.0003333900000000 ] - [ -0.0003961400000000, -0.0002758200000000, 0.0005041300000000 ] - [ 0.0011671600000000, 0.0003637900000000, 0.0009724100000000 ] - [ 0.0008922400000000, -0.0011714500000000, 0.0001883400000000 ] - [ -0.0007683600000000, -0.0017899400000000, 0.0009015600000000 ] - [ -0.0013818500000000, 0.0006433100000000, 0.0010762900000000 ] - [ 0.0009731900000000, 0.0000222900000000, 0.0007363100000000 ] - [ 0.0022570600000000, 0.0012536700000000, 0.0006123600000000 ] - [ -0.0011115600000000, 0.0009149900000000, 0.0008272700000000 ] - [ 0.0006319700000000, 0.0001800100000000, -0.0010886800000000 ] - [ -0.0156381600000000, -0.0125558600000000, -0.0069204500000000 ] - [ 0.0003828300000000, 0.0000728100000000, 0.0010515300000000 ] - [ 0.0001341600000000, -0.0000342600000000, 0.0022512500000000 ] - [ 0.0005310200000000, -0.0003832600000000, -0.0000330300000000 ] - [ 0.0012997600000000, 0.0000753200000000, -0.0005894300000000 ] - [ 0.0011518600000000, -0.0004515500000000, 0.0004111400000000 ] - [ 0.0008212600000000, -0.0006303100000000, 0.0010876200000000 ] - [ -0.0001709100000000, -0.0003669700000000, 0.0000950800000000 ] - [ 0.0015330100000000, -0.0001941600000000, -0.0004217300000000 ] - [ 0.0012626400000000, 0.0007899600000000, 0.0006177100000000 ] - [ 0.0005174200000000, 0.0009218600000000, 0.0020953800000000 ] - [ -0.0009500000000000, -0.0001725700000000, -0.0003651500000000 ] - [ 0.0008295900000000, -0.0000607600000000, -0.0017167800000000 ] - [ -0.0000675700000000, 0.0000230700000000, 0.0012142000000000 ] - [ -0.0000650700000000, 0.0000646700000000, 0.0021215200000000 ] - [ -0.0006972400000000, 0.0000981300000000, -0.0010832600000000 ] - [ 0.0175528500000000, 0.0258619000000000, 0.0223134200000000 ] - [ -0.0001218800000000, -0.0000395900000000, 0.0001961700000000 ] - [ -0.0010291800000000, -0.0000065900000000, 0.0025459000000000 ] - [ -0.0003664500000000, -0.0004887700000000, 0.0000828400000000 ] - [ -0.0000495100000000, -0.0004453100000000, 0.0003038600000000 ] - [ 0.0000806400000000, -0.0008108600000000, -0.0003511000000000 ] - [ -0.0000274400000000, -0.0005349800000000, -0.0000190000000000 ] - [ -0.0007489600000000, 0.0001022700000000, 0.0003031200000000 ] - [ 0.0001651800000000, 0.0001654500000000, 0.0003918100000000 ] - [ 0.0002713000000000, 0.0011270800000000, -0.0005944300000000 ] - [ -0.0022534200000000, 0.0032931400000000, 0.0023978300000000 ]- atom: 65 displacement: [ 0.0015728055973509, 0.0000000000000000, -0.0098755396081906 ] forces: - [ -0.0004031700000000, -0.0009213400000000, 0.0032016300000000 ] - [ 0.0001168500000000, -0.0000655900000000, 0.0003158800000000 ] - [ -0.0004489500000000, -0.0005518400000000, -0.0073597800000000 ] - [ -0.0005919900000000, 0.0000221700000000, 0.0000771000000000 ] - [ -0.0004434100000000, 0.0006165300000000, 0.0009949300000000 ] - [ 0.0001699800000000, 0.0000793500000000, 0.0003059500000000 ] - [ 0.0004863600000000, -0.0014147300000000, 0.0003897300000000 ] - [ -0.0005105800000000, -0.0000347100000000, 0.0000982900000000 ] - [ -0.0008856400000000, -0.0012927000000000, 0.0004286900000000 ] - [ -0.0000424600000000, 0.0000019500000000, -0.0002366200000000 ] - [ -0.0000721400000000, 0.0001574700000000, 0.0006096600000000 ] - [ -0.0007012900000000, 0.0000558000000000, 0.0004823900000000 ] - [ -0.0021520900000000, 0.0015800000000000, -0.0004444200000000 ] - [ 0.0017072600000000, -0.0000718500000000, -0.0016074500000000 ] - [ 0.0008512500000000, -0.0001666800000000, 0.0005271700000000 ] - [ -0.0000726000000000, -0.0000716800000000, 0.0005753400000000 ] - [ -0.0001203400000000, -0.0001546200000000, -0.0007223000000000 ] - [ 0.0002346100000000, -0.0008345000000000, -0.0013694900000000 ] - [ 0.0001483700000000, -0.0000363300000000, 0.0002291900000000 ] - [ -0.0000138500000000, 0.0000494200000000, 0.0006032700000000 ] - [ -0.0010617000000000, 0.0001642500000000, -0.0013075900000000 ] - [ -0.0013577700000000, 0.0015262100000000, -0.0030509200000000 ] - [ 0.0001302600000000, 0.0000232300000000, 0.0003488400000000 ] - [ 0.0000055500000000, -0.0000455900000000, 0.0006950800000000 ] - [ 0.0047942000000000, -0.0017093000000000, -0.0048891500000000 ] - [ -0.0005437300000000, 0.0000615700000000, -0.0008243700000000 ] - [ 0.0001171400000000, -0.0000451400000000, 0.0021807500000000 ] - [ 0.0003387400000000, 0.0000092400000000, 0.0009694000000000 ] - [ -0.0013310300000000, 0.0005696000000000, 0.0009316300000000 ] - [ 0.0018471900000000, -0.0002032200000000, 0.0037958000000000 ] - [ 0.0012901900000000, -0.0005735800000000, -0.0011016900000000 ] - [ -0.0053073200000000, -0.0020030900000000, 0.0035836300000000 ] - [ -0.0000446000000000, -0.0004165100000000, 0.0001371900000000 ] - [ 0.0000076700000000, -0.0002419100000000, -0.0008693300000000 ] - [ 0.0022951100000000, 0.0023040300000000, 0.0000948900000000 ] - [ 0.0003635800000000, 0.0000601600000000, -0.0007402300000000 ] - [ 0.0024460400000000, 0.0136121500000000, 0.0063059200000000 ] - [ 0.0004154600000000, 0.0000271300000000, -0.0002328300000000 ] - [ 0.0016611000000000, 0.0001783100000000, 0.0056020600000000 ] - [ 0.0010013200000000, -0.0000448700000000, 0.0006319300000000 ] - [ 0.1007123500000000, 0.0450816700000000, -0.1452118800000000 ] - [ 0.0002001500000000, 0.0008597700000000, -0.0002214600000000 ] - [ 0.0000777700000000, 0.0019763100000000, 0.0029217600000000 ] - [ 0.0005680600000000, 0.0014188000000000, 0.0013546200000000 ] - [ 0.0051929500000000, -0.0003618500000000, -0.0065361100000000 ] - [ 0.0002302600000000, -0.0010228800000000, -0.0001954500000000 ] - [ 0.0001291400000000, -0.0017949100000000, 0.0024858400000000 ] - [ 0.0005897600000000, -0.0014264100000000, 0.0013177800000000 ] - [ -0.0011162900000000, 0.0015251400000000, -0.0004123000000000 ] - [ -0.0005153300000000, 0.0024325200000000, -0.0005503700000000 ] - [ -0.0002650500000000, 0.0006227000000000, -0.0005525300000000 ] - [ -0.0008516600000000, 0.0002698200000000, 0.0003458200000000 ] - [ -0.0017253600000000, -0.0018983400000000, -0.0000041500000000 ] - [ 0.0000445300000000, -0.0020237600000000, -0.0002715700000000 ] - [ 0.0002120000000000, 0.0002863600000000, -0.0005130100000000 ] - [ -0.0026306300000000, -0.0013881200000000, 0.0018977900000000 ] - [ -0.0018869800000000, -0.0006500200000000, -0.0011716500000000 ] - [ -0.0002810200000000, -0.0005521100000000, -0.0023252300000000 ] - [ -0.0006533600000000, 0.0001806700000000, 0.0005068500000000 ] - [ -0.0009020000000000, 0.0004534500000000, 0.0016430200000000 ] - [ -0.0008344600000000, 0.0000745600000000, -0.0000599100000000 ] - [ 0.0035920100000000, -0.0155631400000000, -0.0585194900000000 ] - [ -0.0006804700000000, -0.0000162700000000, 0.0015475300000000 ] - [ -0.0012583200000000, 0.0000105700000000, 0.0033134800000000 ] - [ -0.1379821600000000, -0.0369606900000000, 0.2545396900000000 ] - [ 0.0004613600000000, -0.0004999300000000, 0.0006141100000000 ] - [ 0.0005989300000000, -0.0006069600000000, -0.0014706300000000 ] - [ 0.0001819900000000, -0.0006114300000000, -0.0003203400000000 ] - [ -0.0037720500000000, 0.0084252400000000, 0.0109914900000000 ] - [ 0.0004136500000000, 0.0004854800000000, 0.0006084600000000 ] - [ 0.0005554700000000, 0.0005543500000000, -0.0012087300000000 ] - [ 0.0001583300000000, 0.0006199900000000, -0.0003015500000000 ] - [ -0.0006693500000000, 0.0007136600000000, 0.0004915600000000 ] - [ 0.0005775600000000, 0.0001639800000000, 0.0006276000000000 ] - [ -0.0002151300000000, -0.0004455200000000, -0.0006914800000000 ] - [ 0.0000285800000000, -0.0000366600000000, 0.0002463600000000 ] - [ -0.0011678600000000, -0.0018206600000000, -0.0054862200000000 ] - [ 0.0005225500000000, -0.0000825100000000, -0.0003268200000000 ] - [ 0.0020961100000000, 0.0024659400000000, -0.0072891700000000 ] - [ 0.0001660000000000, 0.0000852400000000, -0.0005791600000000 ] - [ 0.0288263200000000, -0.0038800200000000, -0.0413019500000000 ] - [ -0.0007474500000000, -0.0000848100000000, 0.0006040400000000 ] - [ -0.0010426800000000, -0.0010992100000000, -0.0025996200000000 ] - [ -0.0007409100000000, -0.0004719000000000, -0.0006632600000000 ] - [ -0.0009512000000000, -0.0048981300000000, 0.0037772100000000 ] - [ -0.0007143100000000, 0.0000898700000000, 0.0006191600000000 ] - [ -0.0012803100000000, 0.0013621100000000, -0.0023027100000000 ] - [ -0.0007791800000000, 0.0005108700000000, -0.0006450300000000 ] - [ -0.0002386100000000, 0.0003223200000000, -0.0015709900000000 ] - [ -0.0005688600000000, 0.0000386200000000, -0.0006574200000000 ] - [ -0.0023786500000000, -0.0012037100000000, 0.0014771900000000 ] - [ -0.0004305200000000, -0.0000418100000000, 0.0000957100000000 ] - [ -0.0016213500000000, 0.0019101800000000, 0.0014146400000000 ] - [ 0.0003235700000000, 0.0007007600000000, 0.0003818700000000 ] - [ -0.0001939100000000, 0.0010538600000000, -0.0010364700000000 ] - [ -0.0001883700000000, 0.0007200500000000, -0.0006221800000000 ] - [ 0.0057418100000000, 0.0116277200000000, 0.0110470100000000 ] - [ 0.0004680100000000, -0.0006496000000000, 0.0004570300000000 ] - [ -0.0002243000000000, -0.0010879800000000, -0.0011768000000000 ] - [ -0.0001604200000000, -0.0007386200000000, -0.0006387600000000 ] - [ 0.0006815500000000, -0.0009905600000000, -0.0001988200000000 ] - [ -0.0008751400000000, -0.0016321400000000, -0.0006700600000000 ] - [ -0.0006026100000000, -0.0000976700000000, 0.0001183500000000 ] - [ 0.0010519800000000, 0.0005107100000000, -0.0005827300000000 ] - [ 0.0016556600000000, 0.0006269200000000, -0.0007641000000000 ] - [ -0.0006833300000000, 0.0012490700000000, -0.0004373500000000 ] - [ -0.0019804800000000, 0.0000187800000000, -0.0003128700000000 ] - [ 0.0013970000000000, 0.0003674400000000, -0.0005105100000000 ] - [ 0.0007272800000000, -0.0001748900000000, 0.0015524300000000 ] - [ 0.0169520600000000, 0.0125101900000000, 0.0075421100000000 ] - [ 0.0009784700000000, -0.0000713100000000, -0.0005840000000000 ] - [ 0.0012327900000000, 0.0000346000000000, -0.0017840600000000 ] - [ 0.0013263500000000, -0.0002660900000000, 0.0002524500000000 ] - [ 0.0005598200000000, -0.0007235800000000, 0.0008022500000000 ] - [ 0.0007059700000000, -0.0001987700000000, -0.0001887400000000 ] - [ 0.0010378300000000, -0.0000236700000000, -0.0008585400000000 ] - [ 0.0020209100000000, 0.0010073800000000, 0.0001258100000000 ] - [ 0.0003266500000000, 0.0008450000000000, 0.0006310100000000 ] - [ 0.0005945500000000, -0.0001444700000000, -0.0003982700000000 ] - [ 0.0013427000000000, -0.0002712700000000, -0.0018730800000000 ] - [ 0.0004924800000000, 0.0001705600000000, 0.0014103700000000 ] - [ -0.0012731900000000, 0.0000562700000000, 0.0027633900000000 ] - [ -0.0003886600000000, -0.0000236200000000, -0.0001633300000000 ] - [ -0.0003863200000000, -0.0000654600000000, -0.0010660300000000 ] - [ 0.0005126100000000, -0.0000971900000000, 0.0001880900000000 ] - [ -0.0173954300000000, -0.0255392600000000, -0.0229354100000000 ] - [ -0.0000540100000000, 0.0000399700000000, -0.0010896900000000 ] - [ 0.0008571800000000, 0.0000068600000000, -0.0034421600000000 ] - [ 0.0002289600000000, -0.0007458500000000, -0.0003648000000000 ] - [ -0.0000827700000000, -0.0007896400000000, -0.0005886000000000 ] - [ -0.0002180400000000, -0.0004241400000000, 0.0000695700000000 ] - [ -0.0001074200000000, -0.0007093900000000, -0.0002560400000000 ] - [ 0.0006071900000000, 0.0011279100000000, -0.0005829700000000 ] - [ -0.0002940600000000, 0.0010682500000000, -0.0006749900000000 ] - [ -0.0004127700000000, 0.0001037900000000, 0.0003130600000000 ] - [ 0.0021399200000000, -0.0020781600000000, -0.0026951200000000 ]- atom: 73 displacement: [ 0.0099999999923824, 0.0000000000000000, -0.0000003903221875 ] forces: - [ 0.0003933400000000, 0.0028840500000000, 0.0016075800000000 ] - [ -0.0013545100000000, -0.0002543800000000, -0.0004211700000000 ] - [ 0.0002126700000000, -0.0001111500000000, 0.0001984200000000 ] - [ -0.0002515900000000, -0.0000734900000000, 0.0003424800000000 ] - [ 0.0003933400000000, -0.0028840500000000, 0.0016075800000000 ] - [ -0.0013545100000000, 0.0002543800000000, -0.0004211700000000 ] - [ 0.0002126700000000, 0.0001111500000000, 0.0001984200000000 ] - [ -0.0002515900000000, 0.0000734900000000, 0.0003424800000000 ] - [ 0.0259914800000000, 0.0000000000000000, 0.0038662900000000 ] - [ -0.0035806300000000, 0.0000000000000000, 0.0004710000000000 ] - [ -0.0005070900000000, 0.0000000000000000, 0.0007676100000000 ] - [ -0.0002122700000000, 0.0000000000000000, 0.0001344500000000 ] - [ -0.0001298600000000, 0.0000000000000000, -0.0003161900000000 ] - [ -0.0001337600000000, 0.0000000000000000, 0.0003251600000000 ] - [ 0.0001078300000000, 0.0000000000000000, -0.0000580300000000 ] - [ 0.0003972100000000, 0.0000000000000000, -0.0002755000000000 ] - [ -0.0006236400000000, -0.0003385200000000, -0.0006312500000000 ] - [ 0.0000249300000000, 0.0011506000000000, 0.0017342600000000 ] - [ -0.0005648500000000, -0.0001745100000000, -0.0000702800000000 ] - [ 0.0007160300000000, -0.0003557200000000, -0.0010067500000000 ] - [ -0.0006236400000000, 0.0003385200000000, -0.0006312500000000 ] - [ 0.0000249300000000, -0.0011506000000000, 0.0017342600000000 ] - [ -0.0005648500000000, 0.0001745100000000, -0.0000702800000000 ] - [ 0.0007160300000000, 0.0003557200000000, -0.0010067500000000 ] - [ 0.0095650300000000, 0.0000000000000000, -0.0016618200000000 ] - [ -0.0017727200000000, 0.0000000000000000, 0.0004851700000000 ] - [ 0.0010437600000000, 0.0000000000000000, 0.0083140300000000 ] - [ -0.0005796100000000, 0.0000000000000000, -0.0008946400000000 ] - [ -0.0019473900000000, 0.0000000000000000, -0.0000362800000000 ] - [ 0.0034201900000000, 0.0000000000000000, -0.0012404500000000 ] - [ -0.0008073700000000, 0.0000000000000000, -0.0002048700000000 ] - [ 0.0001936300000000, 0.0000000000000000, 0.0007587000000000 ] - [ 0.0602768700000000, 0.0000000000000000, 0.0125113800000000 ] - [ -0.0019303200000000, 0.0000000000000000, -0.0007759800000000 ] - [ 0.0010010700000000, 0.0000000000000000, 0.0006499000000000 ] - [ -0.0003170000000000, 0.0000000000000000, -0.0008433000000000 ] - [ 0.0049130700000000, 0.0000000000000000, 0.0019485300000000 ] - [ -0.0006002400000000, 0.0000000000000000, -0.0006489500000000 ] - [ 0.0019077200000000, 0.0000000000000000, 0.0009023000000000 ] - [ 0.0006104600000000, 0.0000000000000000, 0.0000565600000000 ] - [ 0.0035393400000000, 0.0034848900000000, -0.0014736000000000 ] - [ -0.0005113900000000, 0.0006050500000000, 0.0012532300000000 ] - [ 0.0020756600000000, 0.0034073100000000, 0.0013005500000000 ] - [ 0.0003399200000000, 0.0008646000000000, 0.0003122400000000 ] - [ 0.0035393400000000, -0.0034848900000000, -0.0014736000000000 ] - [ -0.0005113900000000, -0.0006050500000000, 0.0012532300000000 ] - [ 0.0020756600000000, -0.0034073100000000, 0.0013005500000000 ] - [ 0.0003399200000000, -0.0008646000000000, 0.0003122400000000 ] - [ -0.0021354200000000, 0.0007744400000000, 0.0005963200000000 ] - [ 0.0043607900000000, 0.0074113400000000, -0.0131418400000000 ] - [ -0.0008932700000000, 0.0012951500000000, -0.0005668600000000 ] - [ -0.0009844500000000, 0.0011414300000000, 0.0001954600000000 ] - [ -0.0021354200000000, -0.0007744400000000, 0.0005963200000000 ] - [ 0.0043607900000000, -0.0074113400000000, -0.0131418400000000 ] - [ -0.0008932700000000, -0.0012951500000000, -0.0005668600000000 ] - [ -0.0009844500000000, -0.0011414300000000, 0.0001954600000000 ] - [ -0.0037588000000000, 0.0000000000000000, -0.0011836400000000 ] - [ 0.1584512600000000, 0.0000000000000000, -0.0456436700000000 ] - [ -0.0014643600000000, 0.0000000000000000, -0.0004148500000000 ] - [ -0.0007573700000000, 0.0000000000000000, 0.0017963600000000 ] - [ -0.0015440400000000, 0.0000000000000000, 0.0007495200000000 ] - [ 0.0012593200000000, 0.0000000000000000, 0.0018490700000000 ] - [ -0.0013967000000000, 0.0000000000000000, 0.0008137600000000 ] - [ 0.0020783200000000, 0.0000000000000000, 0.0006196500000000 ] - [ -0.0022672000000000, -0.0013053900000000, 0.0005463400000000 ] - [ 0.0010484700000000, -0.0001442800000000, -0.0001989900000000 ] - [ -0.0013278000000000, -0.0015587800000000, 0.0002272100000000 ] - [ 0.0006105000000000, -0.0004406000000000, 0.0002885100000000 ] - [ -0.0022672000000000, 0.0013053900000000, 0.0005463400000000 ] - [ 0.0010484700000000, 0.0001442800000000, -0.0001989900000000 ] - [ -0.0013278000000000, 0.0015587800000000, 0.0002272100000000 ] - [ 0.0006105000000000, 0.0004406000000000, 0.0002885100000000 ] - [ -0.3303671100000000, 0.0000000000000000, 0.0659422800000000 ] - [ 0.0020623300000000, 0.0000000000000000, 0.0004000600000000 ] - [ -0.0001352300000000, 0.0000000000000000, -0.0006412400000000 ] - [ 0.0004696300000000, 0.0000000000000000, 0.0004460700000000 ] - [ -0.0021627000000000, 0.0000000000000000, -0.0016970100000000 ] - [ 0.0014477000000000, 0.0000000000000000, 0.0001802800000000 ] - [ -0.0002862300000000, 0.0000000000000000, -0.0011930800000000 ] - [ 0.0005341600000000, 0.0000000000000000, -0.0004016400000000 ] - [ -0.0021433000000000, -0.0024208600000000, 0.0005646300000000 ] - [ 0.0002906600000000, 0.0001537600000000, -0.0001946400000000 ] - [ -0.0013496600000000, -0.0011462400000000, -0.0009600100000000 ] - [ -0.0007722400000000, -0.0001572600000000, 0.0000948100000000 ] - [ -0.0021433000000000, 0.0024208600000000, 0.0005646300000000 ] - [ 0.0002906600000000, -0.0001537600000000, -0.0001946400000000 ] - [ -0.0013496600000000, 0.0011462400000000, -0.0009600100000000 ] - [ -0.0007722400000000, 0.0001572600000000, 0.0000948100000000 ] - [ 0.0099073800000000, 0.0000000000000000, -0.0432023900000000 ] - [ 0.0011042200000000, 0.0000000000000000, 0.0003535900000000 ] - [ -0.0019807700000000, 0.0000000000000000, -0.0009001500000000 ] - [ -0.0000541300000000, 0.0000000000000000, -0.0006142300000000 ] - [ -0.0015470700000000, 0.0023609000000000, 0.0036987000000000 ] - [ 0.0013130700000000, 0.0004885300000000, -0.0007977900000000 ] - [ 0.0004478900000000, 0.0031383700000000, -0.0025190100000000 ] - [ 0.0002059400000000, 0.0005426900000000, 0.0002918300000000 ] - [ -0.0015470700000000, -0.0023609000000000, 0.0036987000000000 ] - [ 0.0013130700000000, -0.0004885300000000, -0.0007977900000000 ] - [ 0.0004478900000000, -0.0031383700000000, -0.0025190100000000 ] - [ 0.0002059400000000, -0.0005426900000000, 0.0002918300000000 ] - [ 0.0010429800000000, -0.0000554700000000, -0.0000560800000000 ] - [ -0.0002523200000000, -0.0040515900000000, 0.0032099900000000 ] - [ 0.0003741800000000, -0.0006011100000000, 0.0002400700000000 ] - [ 0.0000758900000000, -0.0006087600000000, -0.0001963600000000 ] - [ 0.0010429800000000, 0.0000554700000000, -0.0000560800000000 ] - [ -0.0002523200000000, 0.0040515900000000, 0.0032099900000000 ] - [ 0.0003741800000000, 0.0006011100000000, 0.0002400700000000 ] - [ 0.0000758900000000, 0.0006087600000000, -0.0001963600000000 ] - [ 0.0014502400000000, 0.0000000000000000, 0.0002601500000000 ] - [ -0.0001303200000000, 0.0000000000000000, -0.0004286400000000 ] - [ 0.0014843200000000, 0.0000000000000000, 0.0000073100000000 ] - [ -0.0011410400000000, 0.0000000000000000, 0.0017379000000000 ] - [ 0.0031427200000000, 0.0000844300000000, -0.0000191000000000 ] - [ 0.0356957000000000, -0.0251625700000000, 0.0016430500000000 ] - [ 0.0012066600000000, -0.0004062800000000, 0.0000631400000000 ] - [ 0.0007119900000000, 0.0001592800000000, -0.0007792000000000 ] - [ 0.0031427200000000, -0.0000844300000000, -0.0000191000000000 ] - [ 0.0356957000000000, 0.0251625700000000, 0.0016430500000000 ] - [ 0.0012066600000000, 0.0004062800000000, 0.0000631400000000 ] - [ 0.0007119900000000, -0.0001592800000000, -0.0007792000000000 ] - [ 0.0011611900000000, 0.0000000000000000, 0.0014308100000000 ] - [ -0.0002650600000000, 0.0000000000000000, -0.0207934100000000 ] - [ 0.0004240800000000, 0.0000000000000000, 0.0008370500000000 ] - [ -0.0024040500000000, 0.0000000000000000, -0.0025130100000000 ] - [ 0.0010699300000000, 0.0000000000000000, -0.0003339100000000 ] - [ -0.0025268600000000, 0.0000000000000000, -0.0009957200000000 ] - [ 0.0003161800000000, 0.0000000000000000, -0.0004149900000000 ] - [ -0.0009763700000000, 0.0000000000000000, -0.0004435700000000 ] - [ 0.0013638500000000, -0.0010782700000000, -0.0005250700000000 ] - [ -0.0067681500000000, -0.0078545600000000, 0.0164621700000000 ] - [ 0.0003233200000000, -0.0007256900000000, -0.0001156100000000 ] - [ -0.0001592300000000, -0.0007443300000000, -0.0011192800000000 ] - [ 0.0013638500000000, 0.0010782700000000, -0.0005250700000000 ] - [ -0.0067681500000000, 0.0078545600000000, 0.0164621700000000 ] - [ 0.0003233200000000, 0.0007256900000000, -0.0001156100000000 ] - [ -0.0001592300000000, 0.0007443300000000, -0.0011192800000000 ]- atom: 73 displacement: [ -0.0099999999923824, 0.0000000000000000, 0.0000003903221875 ] forces: - [ -0.0005799300000000, -0.0029855200000000, -0.0012392200000000 ] - [ 0.0011833400000000, 0.0001422000000000, 0.0007855000000000 ] - [ -0.0003812700000000, -0.0000001500000000, 0.0001740900000000 ] - [ 0.0000807700000000, -0.0000366300000000, 0.0000309900000000 ] - [ -0.0005799300000000, 0.0029855200000000, -0.0012392200000000 ] - [ 0.0011833400000000, -0.0001422000000000, 0.0007855000000000 ] - [ -0.0003812700000000, 0.0000001500000000, 0.0001740900000000 ] - [ 0.0000807700000000, 0.0000366300000000, 0.0000309900000000 ] - [ -0.0283370500000000, 0.0000000000000000, -0.0039151500000000 ] - [ 0.0029147300000000, 0.0000000000000000, -0.0001370900000000 ] - [ -0.0001399000000000, 0.0000000000000000, -0.0004280800000000 ] - [ -0.0004338600000000, 0.0000000000000000, 0.0002052800000000 ] - [ 0.0007719100000000, 0.0000000000000000, -0.0000208500000000 ] - [ 0.0007794300000000, 0.0000000000000000, -0.0006666000000000 ] - [ 0.0005370600000000, 0.0000000000000000, -0.0002768300000000 ] - [ 0.0002485900000000, 0.0000000000000000, -0.0000572000000000 ] - [ 0.0007896200000000, 0.0002280700000000, 0.0002617900000000 ] - [ 0.0001429100000000, -0.0012520300000000, -0.0020939400000000 ] - [ 0.0007324800000000, 0.0000648100000000, -0.0003013400000000 ] - [ -0.0005447300000000, 0.0002389300000000, 0.0006522800000000 ] - [ 0.0007896200000000, -0.0002280700000000, 0.0002617900000000 ] - [ 0.0001429100000000, 0.0012520300000000, -0.0020939400000000 ] - [ 0.0007324800000000, -0.0000648100000000, -0.0003013400000000 ] - [ -0.0005447300000000, -0.0002389300000000, 0.0006522800000000 ] - [ -0.0089472200000000, 0.0000000000000000, 0.0018332600000000 ] - [ 0.0023096100000000, 0.0000000000000000, -0.0003060600000000 ] - [ -0.0005172800000000, 0.0000000000000000, -0.0080676900000000 ] - [ 0.0011346800000000, 0.0000000000000000, 0.0010550600000000 ] - [ 0.0013979100000000, 0.0000000000000000, -0.0001385000000000 ] - [ -0.0039560300000000, 0.0000000000000000, 0.0010701600000000 ] - [ 0.0002589300000000, 0.0000000000000000, 0.0000401600000000 ] - [ -0.0007382100000000, 0.0000000000000000, -0.0009195600000000 ] - [ -0.0595672300000000, 0.0000000000000000, -0.0150735100000000 ] - [ 0.0027420100000000, 0.0000000000000000, -0.0009098000000000 ] - [ -0.0001896700000000, 0.0000000000000000, -0.0023133000000000 ] - [ 0.0011271100000000, 0.0000000000000000, -0.0008305800000000 ] - [ -0.0028841400000000, 0.0000000000000000, -0.0015303500000000 ] - [ 0.0026086200000000, 0.0000000000000000, 0.0010735800000000 ] - [ 0.0001087600000000, 0.0000000000000000, -0.0004601400000000 ] - [ 0.0014062500000000, 0.0000000000000000, 0.0003817700000000 ] - [ -0.0021665900000000, -0.0010584300000000, 0.0026652000000000 ] - [ 0.0018628200000000, 0.0018102200000000, -0.0000433700000000 ] - [ -0.0007206600000000, -0.0009838000000000, -0.0000842600000000 ] - [ 0.0010212000000000, 0.0015614100000000, 0.0008972700000000 ] - [ -0.0021665900000000, 0.0010584300000000, 0.0026652000000000 ] - [ 0.0018628200000000, -0.0018102200000000, -0.0000433700000000 ] - [ -0.0007206600000000, 0.0009838000000000, -0.0000842600000000 ] - [ 0.0010212000000000, -0.0015614100000000, 0.0008972700000000 ] - [ 0.0007721700000000, 0.0016514100000000, -0.0018110900000000 ] - [ -0.0055259000000000, -0.0050231000000000, 0.0117300100000000 ] - [ -0.0004670600000000, 0.0011262100000000, -0.0006382300000000 ] - [ -0.0003818200000000, 0.0012808500000000, -0.0013931500000000 ] - [ 0.0007721700000000, -0.0016514100000000, -0.0018110900000000 ] - [ -0.0055259000000000, 0.0050231000000000, 0.0117300100000000 ] - [ -0.0004670600000000, -0.0011262100000000, -0.0006382300000000 ] - [ -0.0003818200000000, -0.0012808500000000, -0.0013931500000000 ] - [ 0.0017402600000000, 0.0000000000000000, 0.0007473900000000 ] - [ -0.1506264800000000, 0.0000000000000000, 0.0393514700000000 ] - [ -0.0005515600000000, 0.0000000000000000, -0.0000171800000000 ] - [ -0.0012587700000000, 0.0000000000000000, -0.0022099800000000 ] - [ 0.0007226300000000, 0.0000000000000000, 0.0009291100000000 ] - [ -0.0020675800000000, 0.0000000000000000, -0.0001712300000000 ] - [ 0.0005814000000000, 0.0000000000000000, 0.0008664800000000 ] - [ -0.0028912700000000, 0.0000000000000000, 0.0010681600000000 ] - [ 0.0023932100000000, 0.0000698900000000, -0.0002574300000000 ] - [ -0.0009073800000000, -0.0010867600000000, 0.0004803700000000 ] - [ 0.0014680800000000, 0.0003199400000000, 0.0000524100000000 ] - [ -0.0004744600000000, -0.0007946500000000, -0.0000052800000000 ] - [ 0.0023932100000000, -0.0000698900000000, -0.0002574300000000 ] - [ -0.0009073800000000, 0.0010867600000000, 0.0004803700000000 ] - [ 0.0014680800000000, -0.0003199400000000, 0.0000524100000000 ] - [ -0.0004744600000000, 0.0007946500000000, -0.0000052800000000 ] - [ 0.3213524800000000, 0.0000000000000000, -0.0575013600000000 ] - [ -0.0018818600000000, 0.0000000000000000, 0.0004983900000000 ] - [ 0.0003137600000000, 0.0000000000000000, 0.0015231700000000 ] - [ -0.0002941700000000, 0.0000000000000000, 0.0004441500000000 ] - [ 0.0026145500000000, 0.0000000000000000, 0.0006535400000000 ] - [ -0.0009929700000000, 0.0000000000000000, -0.0012276800000000 ] - [ 0.0007363200000000, 0.0000000000000000, 0.0001319300000000 ] - [ -0.0000780900000000, 0.0000000000000000, -0.0006548800000000 ] - [ 0.0002871500000000, 0.0017678300000000, -0.0007762700000000 ] - [ -0.0021412000000000, -0.0007984600000000, -0.0000258200000000 ] - [ -0.0005068500000000, 0.0004938300000000, 0.0007309000000000 ] - [ -0.0010854200000000, -0.0004926500000000, -0.0003203600000000 ] - [ 0.0002871500000000, -0.0017678300000000, -0.0007762700000000 ] - [ -0.0021412000000000, 0.0007984600000000, -0.0000258200000000 ] - [ -0.0005068500000000, -0.0004938300000000, 0.0007309000000000 ] - [ -0.0010854200000000, 0.0004926500000000, -0.0003203600000000 ] - [ -0.0112933700000000, 0.0000000000000000, 0.0430215200000000 ] - [ -0.0024696700000000, 0.0000000000000000, -0.0008114900000000 ] - [ 0.0006071000000000, 0.0000000000000000, 0.0004130800000000 ] - [ -0.0013083100000000, 0.0000000000000000, 0.0001427900000000 ] - [ 0.0012558100000000, -0.0010848600000000, -0.0039928900000000 ] - [ -0.0015905600000000, 0.0007822700000000, 0.0004881400000000 ] - [ -0.0007405500000000, -0.0018712100000000, 0.0022173800000000 ] - [ -0.0004996000000000, 0.0007309700000000, -0.0005994700000000 ] - [ 0.0012558100000000, 0.0010848600000000, -0.0039928900000000 ] - [ -0.0015905600000000, -0.0007822700000000, 0.0004881400000000 ] - [ -0.0007405500000000, 0.0018712100000000, 0.0022173800000000 ] - [ -0.0004996000000000, -0.0007309700000000, -0.0005994700000000 ] - [ -0.0007502100000000, -0.0012165200000000, 0.0003637400000000 ] - [ 0.0005070800000000, 0.0027843300000000, -0.0028609100000000 ] - [ -0.0000874100000000, -0.0006713300000000, 0.0000634200000000 ] - [ 0.0002136500000000, -0.0006628300000000, 0.0004942800000000 ] - [ -0.0007502100000000, 0.0012165200000000, 0.0003637400000000 ] - [ 0.0005070800000000, -0.0027843300000000, -0.0028609100000000 ] - [ -0.0000874100000000, 0.0006713300000000, 0.0000634200000000 ] - [ 0.0002136500000000, 0.0006628300000000, 0.0004942800000000 ] - [ -0.0000832800000000, 0.0000000000000000, 0.0002061500000000 ] - [ 0.0014899600000000, 0.0000000000000000, 0.0008957400000000 ] - [ -0.0001196700000000, 0.0000000000000000, 0.0004646500000000 ] - [ 0.0025000900000000, 0.0000000000000000, -0.0012666200000000 ] - [ -0.0012895600000000, -0.0007362800000000, 0.0002465200000000 ] - [ -0.0331181500000000, 0.0238799300000000, -0.0014167100000000 ] - [ 0.0006500300000000, -0.0002421300000000, 0.0001569100000000 ] - [ 0.0011457600000000, -0.0008081600000000, 0.0009916200000000 ] - [ -0.0012895600000000, 0.0007362800000000, 0.0002465200000000 ] - [ -0.0331181500000000, -0.0238799300000000, -0.0014167100000000 ] - [ 0.0006500300000000, 0.0002421300000000, 0.0001569100000000 ] - [ 0.0011457600000000, 0.0008081600000000, 0.0009916200000000 ] - [ -0.0016134500000000, 0.0000000000000000, -0.0003803800000000 ] - [ -0.0001634100000000, 0.0000000000000000, 0.0215207900000000 ] - [ -0.0008820700000000, 0.0000000000000000, 0.0002132900000000 ] - [ 0.0019615900000000, 0.0000000000000000, 0.0035515500000000 ] - [ -0.0012421600000000, 0.0000000000000000, -0.0005587200000000 ] - [ 0.0023379600000000, 0.0000000000000000, 0.0001095600000000 ] - [ -0.0004911600000000, 0.0000000000000000, -0.0004800800000000 ] - [ 0.0007989200000000, 0.0000000000000000, -0.0004578100000000 ] - [ -0.0014990600000000, -0.0001567800000000, 0.0002451700000000 ] - [ 0.0063464200000000, 0.0066977400000000, -0.0168322200000000 ] - [ -0.0004601400000000, -0.0005087500000000, -0.0001700600000000 ] - [ 0.0000246000000000, -0.0004954900000000, 0.0008223300000000 ] - [ -0.0014990600000000, 0.0001567800000000, 0.0002451700000000 ] - [ 0.0063464200000000, -0.0066977400000000, -0.0168322200000000 ] - [ -0.0004601400000000, 0.0005087500000000, -0.0001700600000000 ] - [ 0.0000246000000000, 0.0004954900000000, 0.0008223300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015351000000000, -0.0013731900000000, -0.0013413700000000 ] - [ -0.0008017800000000, -0.0002408800000000, -0.0000984400000000 ] - [ -0.0001421200000000, -0.0000791700000000, 0.0004063000000000 ] - [ -0.0000954500000000, -0.0000661300000000, 0.0002159600000000 ] - [ -0.0017025500000000, -0.0012658600000000, 0.0016955700000000 ] - [ 0.0006347700000000, -0.0001302300000000, 0.0004701200000000 ] - [ -0.0000294700000000, 0.0000288400000000, -0.0000315500000000 ] - [ -0.0000731600000000, 0.0000433800000000, 0.0001553500000000 ] - [ -0.0002739300000000, 0.0010365200000000, 0.0001743200000000 ] - [ -0.0003174700000000, 0.0018384500000000, 0.0001683500000000 ] - [ -0.0003236600000000, 0.0000339500000000, 0.0001685900000000 ] - [ -0.0003225800000000, 0.0001210100000000, 0.0001681100000000 ] - [ 0.0003263700000000, -0.0005796500000000, -0.0001690700000000 ] - [ 0.0003229700000000, -0.0015330300000000, -0.0001697800000000 ] - [ 0.0003225400000000, -0.0000453300000000, -0.0001671300000000 ] - [ 0.0003232500000000, -0.0000984800000000, -0.0001673500000000 ] - [ -0.0002220300000000, -0.0000336900000000, -0.0002799700000000 ] - [ 0.0002678600000000, -0.0001274500000000, -0.0013030000000000 ] - [ 0.0000922400000000, -0.0000413500000000, -0.0001559300000000 ] - [ 0.0001079100000000, -0.0001744800000000, 0.0010464400000000 ] - [ 0.0003949500000000, 0.0000772500000000, -0.0000887600000000 ] - [ -0.0000981700000000, -0.0000090600000000, 0.0009281900000000 ] - [ 0.0000768000000000, 0.0000679600000000, -0.0002163000000000 ] - [ 0.0000643100000000, -0.0000639900000000, -0.0014098600000000 ] - [ 0.0002505700000000, 0.0031895000000000, 0.0001044000000000 ] - [ 0.0002776400000000, 0.0006061500000000, 0.0000834900000000 ] - [ 0.0002709500000000, 0.0000973700000000, 0.0001024900000000 ] - [ 0.0002759300000000, 0.0006778200000000, 0.0000820600000000 ] - [ -0.0002743400000000, -0.0003958100000000, -0.0000834600000000 ] - [ -0.0002853800000000, -0.0056309600000000, -0.0000838300000000 ] - [ -0.0002787000000000, -0.0002308500000000, -0.0000818600000000 ] - [ -0.0002767900000000, -0.0001839400000000, -0.0000820300000000 ] - [ 0.0002822100000000, 0.0440464100000000, -0.0012082900000000 ] - [ 0.0004079200000000, 0.0002572700000000, -0.0008407700000000 ] - [ 0.0004048900000000, 0.0001133600000000, -0.0008398200000000 ] - [ 0.0004080900000000, 0.0001363500000000, -0.0008388300000000 ] - [ 0.0009946700000000, -0.0047151400000000, 0.0002054100000000 ] - [ 0.0010102300000000, -0.0008457500000000, 0.0002165100000000 ] - [ 0.0010086000000000, -0.0001632800000000, 0.0002187100000000 ] - [ 0.0010086200000000, -0.0002103700000000, 0.0002185400000000 ] - [ 0.0004240400000000, -0.0003199600000000, 0.0035340300000000 ] - [ 0.0003640400000000, 0.0010855600000000, 0.0009199100000000 ] - [ 0.0010370500000000, 0.0014666100000000, 0.0003449000000000 ] - [ 0.0005161400000000, 0.0008983800000000, 0.0003921400000000 ] - [ 0.0009280400000000, -0.0027418900000000, -0.0022923400000000 ] - [ 0.0009978800000000, -0.0013374300000000, 0.0002873800000000 ] - [ 0.0003229100000000, -0.0009592100000000, 0.0008670900000000 ] - [ 0.0008434900000000, -0.0015239900000000, 0.0008180700000000 ] - [ -0.0008577400000000, 0.0012678700000000, -0.0004390400000000 ] - [ 0.0033839100000000, -0.0056507100000000, 0.0011745500000000 ] - [ -0.0007148500000000, 0.0012812500000000, -0.0006956100000000 ] - [ -0.0006699300000000, 0.0011771600000000, -0.0005985900000000 ] - [ -0.0005000600000000, -0.0011541000000000, -0.0007749400000000 ] - [ -0.0046986800000000, -0.0080266700000000, -0.0023530200000000 ] - [ -0.0006440500000000, -0.0011386900000000, -0.0005101700000000 ] - [ -0.0006887600000000, -0.0012429900000000, -0.0006093500000000 ] - [ -0.0010063900000000, 0.0005430500000000, -0.0002165900000000 ] - [ -0.0014490100000000, 0.0439297500000000, -0.0001184400000000 ] - [ -0.0010081200000000, 0.0000955200000000, -0.0002161500000000 ] - [ -0.0010083200000000, 0.0001261000000000, -0.0002140300000000 ] - [ -0.0004048000000000, -0.0003190800000000, 0.0008394300000000 ] - [ -0.0004139800000000, -0.0019049500000000, 0.0008418100000000 ] - [ -0.0004069300000000, -0.0003046900000000, 0.0008403000000000 ] - [ -0.0004077000000000, -0.0006937100000000, 0.0008409800000000 ] - [ 0.0009570000000000, 0.0003502100000000, -0.0004447900000000 ] - [ 0.0002738900000000, -0.0003974500000000, 0.0000098900000000 ] - [ -0.0002113200000000, -0.0002528700000000, 0.0005488700000000 ] - [ 0.0002325500000000, -0.0004256300000000, 0.0002054900000000 ] - [ -0.0008071500000000, 0.0015847900000000, 0.0007250200000000 ] - [ -0.0001399200000000, 0.0008391500000000, 0.0002775800000000 ] - [ 0.0003487500000000, 0.0009844400000000, -0.0002608500000000 ] - [ -0.0000952000000000, 0.0008093000000000, 0.0000805200000000 ] - [ 0.0001854400000000, -0.1022919800000000, 0.0004279700000000 ] - [ 0.0000875400000000, -0.0002604100000000, 0.0004485900000000 ] - [ 0.0000890900000000, -0.0000488200000000, 0.0004467300000000 ] - [ 0.0000881800000000, -0.0000731800000000, 0.0004473100000000 ] - [ 0.0002306600000000, 0.0022251000000000, -0.0005169200000000 ] - [ 0.0002262400000000, 0.0002855300000000, -0.0005261700000000 ] - [ 0.0002264700000000, 0.0001035500000000, -0.0005291800000000 ] - [ 0.0002273500000000, 0.0000721300000000, -0.0005289700000000 ] - [ -0.0015276700000000, 0.0036938900000000, -0.0013219500000000 ] - [ -0.0004605700000000, 0.0001606000000000, -0.0002320600000000 ] - [ -0.0009921000000000, -0.0002902800000000, 0.0000287100000000 ] - [ -0.0009050500000000, -0.0001473800000000, 0.0000217800000000 ] - [ -0.0003402000000000, 0.0043111800000000, 0.0010821700000000 ] - [ -0.0013972300000000, 0.0008132300000000, 0.0000097200000000 ] - [ -0.0008636600000000, 0.0003630300000000, -0.0002553100000000 ] - [ -0.0009515100000000, 0.0005049600000000, -0.0002466600000000 ] - [ -0.0006443300000000, -0.0072035400000000, -0.0002792100000000 ] - [ -0.0006857900000000, -0.0005300500000000, -0.0002334700000000 ] - [ -0.0006815700000000, -0.0003337500000000, -0.0002369700000000 ] - [ -0.0006870200000000, -0.0001186800000000, -0.0002351200000000 ] - [ 0.0005761300000000, 0.0006197800000000, 0.0022393900000000 ] - [ -0.0005901600000000, 0.0003968000000000, 0.0001755200000000 ] - [ -0.0001864000000000, 0.0003651800000000, -0.0000307200000000 ] - [ -0.0005878400000000, 0.0005132100000000, -0.0004549000000000 ] - [ -0.0008702600000000, -0.0006473100000000, -0.0025673700000000 ] - [ 0.0002982300000000, -0.0008752700000000, -0.0004785300000000 ] - [ -0.0001043700000000, -0.0009099500000000, -0.0002745100000000 ] - [ 0.0002975900000000, -0.0007588900000000, 0.0001517700000000 ] - [ 0.0004255300000000, -0.0004539000000000, 0.0000589500000000 ] - [ -0.0009084500000000, 0.0048723300000000, -0.0007991000000000 ] - [ 0.0002469000000000, -0.0005626300000000, 0.0002506100000000 ] - [ 0.0001657400000000, -0.0005717000000000, 0.0001597200000000 ] - [ -0.0001382600000000, 0.0008194400000000, 0.0002486600000000 ] - [ 0.0011925200000000, 0.0061238900000000, 0.0010953100000000 ] - [ 0.0000414000000000, 0.0007088500000000, 0.0000489500000000 ] - [ 0.0001243700000000, 0.0006973400000000, 0.0001400400000000 ] - [ 0.0006821600000000, 0.0002274300000000, 0.0002339100000000 ] - [ 0.0006886000000000, 0.0005654000000000, 0.0002346200000000 ] - [ 0.0006843100000000, 0.0001103000000000, 0.0002350100000000 ] - [ 0.0006855800000000, 0.0012336300000000, 0.0002353200000000 ] - [ 0.0012146600000000, -0.0005679800000000, 0.0000978000000000 ] - [ -0.0278589100000000, 0.0065181700000000, 0.0013755600000000 ] - [ 0.0009319000000000, -0.0003893700000000, 0.0001569100000000 ] - [ 0.0009690300000000, -0.0004071900000000, 0.0000609400000000 ] - [ 0.0006348200000000, 0.0000822400000000, 0.0001287400000000 ] - [ 0.0299546500000000, 0.0071427300000000, -0.0011488600000000 ] - [ 0.0009248200000000, 0.0002608900000000, 0.0000630700000000 ] - [ 0.0008858300000000, 0.0002436100000000, 0.0001595800000000 ] - [ -0.0002278200000000, -0.0002159200000000, 0.0005231000000000 ] - [ -0.0002179700000000, -0.0079355700000000, 0.0005714900000000 ] - [ -0.0002269400000000, -0.0000960200000000, 0.0005238900000000 ] - [ -0.0002277400000000, -0.0005954100000000, 0.0005210900000000 ] - [ -0.0000901900000000, 0.0002666000000000, -0.0004470300000000 ] - [ -0.0000818500000000, 0.0017841400000000, -0.0004481200000000 ] - [ -0.0000879600000000, 0.0001028900000000, -0.0004487900000000 ] - [ -0.0000883800000000, 0.0001545400000000, -0.0004496500000000 ] - [ 0.0000526000000000, -0.0007932900000000, -0.0002210100000000 ] - [ -0.0147918000000000, 0.0086211800000000, -0.0283959300000000 ] - [ -0.0000102200000000, -0.0006896000000000, -0.0000950500000000 ] - [ -0.0000282800000000, -0.0007166100000000, -0.0001307800000000 ] - [ -0.0001913900000000, 0.0004408500000000, -0.0000618400000000 ] - [ 0.0148038200000000, 0.0098401600000000, 0.0283668100000000 ] - [ -0.0001296300000000, 0.0005442600000000, -0.0001943200000000 ] - [ -0.0001092100000000, 0.0005169900000000, -0.0001567900000000 ]- atom: 73 displacement: [ -0.0015728055973509, 0.0000000000000000, 0.0098755396081906 ] forces: - [ 0.0011996000000000, -0.0030662100000000, 0.0012887300000000 ] - [ -0.0002615100000000, 0.0000808000000000, 0.0007604400000000 ] - [ -0.0001095600000000, 0.0005623800000000, -0.0013156800000000 ] - [ -0.0000050900000000, 0.0000077200000000, -0.0002407000000000 ] - [ 0.0011996000000000, 0.0030662100000000, 0.0012887300000000 ] - [ -0.0002615100000000, -0.0000808000000000, 0.0007604400000000 ] - [ -0.0001095600000000, -0.0005623800000000, -0.0013156800000000 ] - [ -0.0000050900000000, -0.0000077200000000, -0.0002407000000000 ] - [ -0.0013553800000000, 0.0000000000000000, 0.0036802100000000 ] - [ 0.0012878400000000, 0.0000000000000000, 0.0013010300000000 ] - [ -0.0000736100000000, 0.0000000000000000, -0.0015330400000000 ] - [ -0.0005140700000000, 0.0000000000000000, -0.0005787900000000 ] - [ -0.0001781900000000, 0.0000000000000000, 0.0007852300000000 ] - [ 0.0004965800000000, 0.0000000000000000, 0.0009695100000000 ] - [ 0.0007125400000000, 0.0000000000000000, -0.0008403900000000 ] - [ 0.0001780800000000, 0.0000000000000000, -0.0009644600000000 ] - [ -0.0009336700000000, -0.0002003300000000, -0.0000750600000000 ] - [ 0.0018095300000000, -0.0025886400000000, -0.0009003700000000 ] - [ 0.0007956000000000, 0.0000923000000000, -0.0003701000000000 ] - [ -0.0007826200000000, 0.0007803700000000, -0.0021691300000000 ] - [ -0.0009336700000000, 0.0002003300000000, -0.0000750600000000 ] - [ 0.0018095300000000, 0.0025886400000000, -0.0009003700000000 ] - [ 0.0007956000000000, -0.0000923000000000, -0.0003701000000000 ] - [ -0.0007826200000000, -0.0007803700000000, -0.0021691300000000 ] - [ -0.0095392900000000, 0.0000000000000000, -0.0135361300000000 ] - [ 0.0014860800000000, 0.0000000000000000, -0.0002937400000000 ] - [ 0.0019293900000000, 0.0000000000000000, -0.0120803600000000 ] - [ -0.0007385400000000, 0.0000000000000000, 0.0001492000000000 ] - [ 0.0005458300000000, 0.0000000000000000, 0.0004998800000000 ] - [ -0.0006114900000000, 0.0000000000000000, 0.0014529600000000 ] - [ -0.0008807100000000, 0.0000000000000000, -0.0010802600000000 ] - [ -0.0001079000000000, 0.0000000000000000, -0.0022389000000000 ] - [ 0.0058109800000000, 0.0000000000000000, 0.1561466100000000 ] - [ 0.0007691600000000, 0.0000000000000000, 0.0003068900000000 ] - [ 0.0023606200000000, 0.0000000000000000, -0.0056195400000000 ] - [ 0.0004596400000000, 0.0000000000000000, -0.0018205500000000 ] - [ 0.0019360500000000, 0.0000000000000000, 0.0049997400000000 ] - [ 0.0014232600000000, 0.0000000000000000, 0.0017147200000000 ] - [ 0.0005369800000000, 0.0000000000000000, -0.0025858200000000 ] - [ 0.0007480300000000, 0.0000000000000000, -0.0009499000000000 ] - [ 0.0010649600000000, 0.0072953000000000, 0.0031612800000000 ] - [ 0.0012168400000000, 0.0022160700000000, 0.0013045400000000 ] - [ 0.0003096800000000, -0.0010510000000000, -0.0018598700000000 ] - [ 0.0003539100000000, 0.0005027400000000, -0.0001307000000000 ] - [ 0.0010649600000000, -0.0072953000000000, 0.0031612800000000 ] - [ 0.0012168400000000, -0.0022160700000000, 0.0013045400000000 ] - [ 0.0003096800000000, 0.0010510000000000, -0.0018598700000000 ] - [ 0.0003539100000000, -0.0005027400000000, -0.0001307000000000 ] - [ 0.0000013900000000, 0.0009048800000000, 0.0006397800000000 ] - [ -0.0140742300000000, 0.0030192600000000, 0.0198969900000000 ] - [ -0.0007850400000000, 0.0016578300000000, -0.0018892700000000 ] - [ 0.0010642500000000, 0.0009788300000000, -0.0035291000000000 ] - [ 0.0000013900000000, -0.0009048800000000, 0.0006397800000000 ] - [ -0.0140742300000000, -0.0030192600000000, 0.0198969900000000 ] - [ -0.0007850400000000, -0.0016578300000000, -0.0018892700000000 ] - [ 0.0010642500000000, -0.0009788300000000, -0.0035291000000000 ] - [ -0.0004523300000000, 0.0000000000000000, 0.0012580500000000 ] - [ -0.0621346700000000, 0.0000000000000000, 0.0836068300000000 ] - [ -0.0010759500000000, 0.0000000000000000, -0.0013350700000000 ] - [ -0.0008065100000000, 0.0000000000000000, -0.0057654600000000 ] - [ -0.0005951800000000, 0.0000000000000000, 0.0016238300000000 ] - [ 0.0014401100000000, 0.0000000000000000, 0.0022899800000000 ] - [ -0.0002383200000000, 0.0000000000000000, 0.0001622600000000 ] - [ -0.0012234200000000, 0.0000000000000000, -0.0008491900000000 ] - [ -0.0006089300000000, -0.0025153300000000, -0.0001293700000000 ] - [ -0.0001375700000000, -0.0009432500000000, 0.0000060600000000 ] - [ -0.0000068000000000, 0.0004700000000000, 0.0012203900000000 ] - [ 0.0001852200000000, -0.0004330000000000, 0.0003513200000000 ] - [ -0.0006089300000000, 0.0025153300000000, -0.0001293700000000 ] - [ -0.0001375700000000, 0.0009432500000000, 0.0000060600000000 ] - [ -0.0000068000000000, -0.0004700000000000, 0.0012203900000000 ] - [ 0.0001852200000000, 0.0004330000000000, 0.0003513200000000 ] - [ 0.1091593600000000, 0.0000000000000000, -0.3746229300000000 ] - [ -0.0002714700000000, 0.0000000000000000, -0.0006248200000000 ] - [ -0.0009468800000000, 0.0000000000000000, 0.0044038500000000 ] - [ 0.0000285300000000, 0.0000000000000000, 0.0014456700000000 ] - [ -0.0002415600000000, 0.0000000000000000, -0.0038944400000000 ] - [ -0.0001071600000000, 0.0000000000000000, -0.0015869700000000 ] - [ 0.0004777200000000, 0.0000000000000000, 0.0018394200000000 ] - [ 0.0005012900000000, 0.0000000000000000, 0.0004153400000000 ] - [ -0.0007947900000000, -0.0019937700000000, -0.0036218600000000 ] - [ -0.0012211700000000, -0.0008372600000000, -0.0010222400000000 ] - [ -0.0008675100000000, 0.0007845200000000, 0.0022694300000000 ] - [ -0.0007859800000000, -0.0000099100000000, 0.0006722100000000 ] - [ -0.0007947900000000, 0.0019937700000000, -0.0036218600000000 ] - [ -0.0012211700000000, 0.0008372600000000, -0.0010222400000000 ] - [ -0.0008675100000000, -0.0007845200000000, 0.0022694300000000 ] - [ -0.0007859800000000, 0.0000099100000000, 0.0006722100000000 ] - [ -0.0275383100000000, 0.0000000000000000, 0.0446264400000000 ] - [ -0.0005464400000000, 0.0000000000000000, -0.0009886200000000 ] - [ -0.0010929500000000, 0.0000000000000000, 0.0041969200000000 ] - [ -0.0010059300000000, 0.0000000000000000, 0.0003849400000000 ] - [ 0.0036657100000000, 0.0062886100000000, 0.0023758800000000 ] - [ -0.0014094300000000, 0.0011992700000000, -0.0003148500000000 ] - [ -0.0014397300000000, -0.0022051200000000, 0.0030107400000000 ] - [ 0.0007340200000000, 0.0003484600000000, 0.0003887000000000 ] - [ 0.0036657100000000, -0.0062886100000000, 0.0023758800000000 ] - [ -0.0014094300000000, -0.0011992700000000, -0.0003148500000000 ] - [ -0.0014397300000000, 0.0022051200000000, 0.0030107400000000 ] - [ 0.0007340200000000, -0.0003484600000000, 0.0003887000000000 ] - [ -0.0005949700000000, -0.0007967700000000, -0.0005765200000000 ] - [ 0.0032517200000000, -0.0020224100000000, -0.0037441100000000 ] - [ 0.0005342100000000, -0.0006874400000000, 0.0009979500000000 ] - [ -0.0002243800000000, -0.0005189300000000, 0.0011492600000000 ] - [ -0.0005949700000000, 0.0007967700000000, -0.0005765200000000 ] - [ 0.0032517200000000, 0.0020224100000000, -0.0037441100000000 ] - [ 0.0005342100000000, 0.0006874400000000, 0.0009979500000000 ] - [ -0.0002243800000000, 0.0005189300000000, 0.0011492600000000 ] - [ 0.0011818500000000, 0.0000000000000000, 0.0003683200000000 ] - [ -0.0002567400000000, 0.0000000000000000, 0.0009475700000000 ] - [ 0.0002622100000000, 0.0000000000000000, 0.0002692200000000 ] - [ 0.0011456500000000, 0.0000000000000000, 0.0003624300000000 ] - [ 0.0005838300000000, -0.0000591000000000, -0.0013027700000000 ] - [ -0.0114657600000000, 0.0107700100000000, -0.0158802000000000 ] - [ 0.0008199800000000, -0.0006311000000000, 0.0011831400000000 ] - [ 0.0007451000000000, -0.0012126900000000, 0.0029858900000000 ] - [ 0.0005838300000000, 0.0000591000000000, -0.0013027700000000 ] - [ -0.0114657600000000, -0.0107700100000000, -0.0158802000000000 ] - [ 0.0008199800000000, 0.0006311000000000, 0.0011831400000000 ] - [ 0.0007451000000000, 0.0012126900000000, 0.0029858900000000 ] - [ -0.0003021900000000, 0.0000000000000000, -0.0003573400000000 ] - [ -0.0340271100000000, 0.0000000000000000, 0.0461070400000000 ] - [ -0.0002463100000000, 0.0000000000000000, 0.0011804300000000 ] - [ 0.0009678200000000, 0.0000000000000000, 0.0067426000000000 ] - [ -0.0001595600000000, 0.0000000000000000, -0.0013093300000000 ] - [ -0.0002543300000000, 0.0000000000000000, -0.0027714700000000 ] - [ -0.0001189000000000, 0.0000000000000000, 0.0003038200000000 ] - [ 0.0000610800000000, 0.0000000000000000, 0.0014906800000000 ] - [ -0.0004350400000000, -0.0004907900000000, -0.0007435400000000 ] - [ 0.0258955900000000, -0.0270158000000000, 0.0239432500000000 ] - [ 0.0000323800000000, -0.0006612600000000, 0.0005253300000000 ] - [ -0.0014523700000000, 0.0003484400000000, 0.0027820900000000 ] - [ -0.0004350400000000, 0.0004907900000000, -0.0007435400000000 ] - [ 0.0258955900000000, 0.0270158000000000, 0.0239432500000000 ] - [ 0.0000323800000000, 0.0006612600000000, 0.0005253300000000 ] - [ -0.0014523700000000, -0.0003484400000000, 0.0027820900000000 ]- atom: 73 displacement: [ 0.0015728055973509, 0.0000000000000000, -0.0098755396081906 ] forces: - [ -0.0013720000000000, 0.0029426200000000, -0.0008871000000000 ] - [ 0.0000931800000000, -0.0001875400000000, -0.0003813800000000 ] - [ -0.0000590300000000, -0.0006709100000000, 0.0016805300000000 ] - [ -0.0001667500000000, -0.0001162800000000, 0.0006096500000000 ] - [ -0.0013720000000000, -0.0029426200000000, -0.0008871000000000 ] - [ 0.0000931800000000, 0.0001875400000000, -0.0003813800000000 ] - [ -0.0000590300000000, 0.0006709100000000, 0.0016805300000000 ] - [ -0.0001667500000000, 0.0001162800000000, 0.0006096500000000 ] - [ 0.0008738700000000, 0.0000000000000000, -0.0032848200000000 ] - [ -0.0019168800000000, 0.0000000000000000, -0.0009696800000000 ] - [ -0.0005680800000000, 0.0000000000000000, 0.0018591000000000 ] - [ -0.0001363600000000, 0.0000000000000000, 0.0009118700000000 ] - [ 0.0008165400000000, 0.0000000000000000, -0.0011170000000000 ] - [ 0.0001535100000000, 0.0000000000000000, -0.0013025300000000 ] - [ -0.0000616200000000, 0.0000000000000000, 0.0005015800000000 ] - [ 0.0004653200000000, 0.0000000000000000, 0.0006270500000000 ] - [ 0.0010998900000000, 0.0000903900000000, -0.0003020000000000 ] - [ -0.0016372600000000, 0.0024840400000000, 0.0005091100000000 ] - [ -0.0006171000000000, -0.0001982700000000, -0.0000014900000000 ] - [ 0.0009463900000000, -0.0008853500000000, 0.0017956900000000 ] - [ 0.0010998900000000, -0.0000903900000000, -0.0003020000000000 ] - [ -0.0016372600000000, -0.0024840400000000, 0.0005091100000000 ] - [ -0.0006171000000000, 0.0001982700000000, -0.0000014900000000 ] - [ 0.0009463900000000, 0.0008853500000000, 0.0017956900000000 ] - [ 0.0101134100000000, 0.0000000000000000, 0.0136815300000000 ] - [ -0.0009413000000000, 0.0000000000000000, 0.0004521000000000 ] - [ -0.0014081600000000, 0.0000000000000000, 0.0121914100000000 ] - [ 0.0012825900000000, 0.0000000000000000, 0.0000253700000000 ] - [ -0.0010942600000000, 0.0000000000000000, -0.0006554900000000 ] - [ 0.0000586900000000, 0.0000000000000000, -0.0015947900000000 ] - [ 0.0003331900000000, 0.0000000000000000, 0.0009038800000000 ] - [ -0.0004359400000000, 0.0000000000000000, 0.0020557200000000 ] - [ -0.0039767100000000, 0.0000000000000000, -0.1443632200000000 ] - [ 0.0000495500000000, 0.0000000000000000, -0.0019768200000000 ] - [ -0.0015349700000000, 0.0000000000000000, 0.0039338300000000 ] - [ 0.0003562400000000, 0.0000000000000000, 0.0001377100000000 ] - [ 0.0000976000000000, 0.0000000000000000, -0.0045327600000000 ] - [ 0.0005958400000000, 0.0000000000000000, -0.0012706100000000 ] - [ 0.0014737700000000, 0.0000000000000000, 0.0030061200000000 ] - [ 0.0012662500000000, 0.0000000000000000, 0.0013806800000000 ] - [ 0.0002970000000000, -0.0048697400000000, -0.0019963200000000 ] - [ 0.0001460400000000, 0.0002053700000000, -0.0001024700000000 ] - [ 0.0010360600000000, 0.0034453500000000, 0.0030559400000000 ] - [ 0.0010031700000000, 0.0019163800000000, 0.0013382500000000 ] - [ 0.0002970000000000, 0.0048697400000000, -0.0019963200000000 ] - [ 0.0001460400000000, -0.0002053700000000, -0.0001024700000000 ] - [ 0.0010360600000000, -0.0034453500000000, 0.0030559400000000 ] - [ 0.0010031700000000, -0.0019163800000000, 0.0013382500000000 ] - [ -0.0013587600000000, 0.0015110800000000, -0.0018288600000000 ] - [ 0.0126698100000000, -0.0006305100000000, -0.0209034800000000 ] - [ -0.0005726300000000, 0.0007658900000000, 0.0006743000000000 ] - [ -0.0024271600000000, 0.0014495000000000, 0.0023123600000000 ] - [ -0.0013587600000000, -0.0015110800000000, -0.0018288600000000 ] - [ 0.0126698100000000, 0.0006305100000000, -0.0209034800000000 ] - [ -0.0005726300000000, -0.0007658900000000, 0.0006743000000000 ] - [ -0.0024271600000000, -0.0014495000000000, 0.0023123600000000 ] - [ -0.0015680200000000, 0.0000000000000000, -0.0016939900000000 ] - [ 0.0647325300000000, 0.0000000000000000, -0.0854581600000000 ] - [ -0.0009365300000000, 0.0000000000000000, 0.0008986300000000 ] - [ -0.0012114200000000, 0.0000000000000000, 0.0053027000000000 ] - [ -0.0002189800000000, 0.0000000000000000, 0.0000529300000000 ] - [ -0.0022437200000000, 0.0000000000000000, -0.0006244900000000 ] - [ -0.0005743100000000, 0.0000000000000000, 0.0015156400000000 ] - [ 0.0003955100000000, 0.0000000000000000, 0.0025258600000000 ] - [ 0.0007382500000000, 0.0012766500000000, 0.0004238100000000 ] - [ 0.0002719000000000, -0.0002939300000000, 0.0002794600000000 ] - [ 0.0001515500000000, -0.0016967600000000, -0.0009366300000000 ] - [ -0.0000477900000000, -0.0008022200000000, -0.0000697700000000 ] - [ 0.0007382500000000, -0.0012766500000000, 0.0004238100000000 ] - [ 0.0002719000000000, 0.0002939300000000, 0.0002794600000000 ] - [ 0.0001515500000000, 0.0016967600000000, -0.0009366300000000 ] - [ -0.0000477900000000, 0.0008022200000000, -0.0000697700000000 ] - [ -0.1150673100000000, 0.0000000000000000, 0.3623442900000000 ] - [ 0.0004431300000000, 0.0000000000000000, 0.0015109900000000 ] - [ 0.0011171600000000, 0.0000000000000000, -0.0034963300000000 ] - [ 0.0001441900000000, 0.0000000000000000, -0.0005474200000000 ] - [ 0.0006892100000000, 0.0000000000000000, 0.0028226600000000 ] - [ 0.0005615900000000, 0.0000000000000000, 0.0005290200000000 ] - [ -0.0000241000000000, 0.0000000000000000, -0.0028731600000000 ] - [ -0.0000464000000000, 0.0000000000000000, -0.0014630700000000 ] - [ -0.0010610100000000, 0.0013203200000000, 0.0034143500000000 ] - [ -0.0006423600000000, 0.0001831600000000, 0.0007999900000000 ] - [ -0.0009889800000000, -0.0014247900000000, -0.0024753500000000 ] - [ -0.0010707600000000, -0.0006396800000000, -0.0008919800000000 ] - [ -0.0010610100000000, -0.0013203200000000, 0.0034143500000000 ] - [ -0.0006423600000000, -0.0001831600000000, 0.0007999900000000 ] - [ -0.0009889800000000, 0.0014247900000000, -0.0024753500000000 ] - [ -0.0010707600000000, 0.0006396800000000, -0.0008919800000000 ] - [ 0.0255566300000000, 0.0000000000000000, -0.0441268300000000 ] - [ -0.0008225400000000, 0.0000000000000000, 0.0005113800000000 ] - [ -0.0002844700000000, 0.0000000000000000, -0.0046531800000000 ] - [ -0.0003626500000000, 0.0000000000000000, -0.0008462300000000 ] - [ -0.0039847700000000, -0.0050446900000000, -0.0026790800000000 ] - [ 0.0011206900000000, 0.0000701900000000, 0.0000186100000000 ] - [ 0.0011325100000000, 0.0034342700000000, -0.0032749800000000 ] - [ -0.0010172700000000, 0.0009230500000000, -0.0006938700000000 ] - [ -0.0039847700000000, 0.0050446900000000, -0.0026790800000000 ] - [ 0.0011206900000000, -0.0000701900000000, 0.0000186100000000 ] - [ 0.0011325100000000, -0.0034342700000000, -0.0032749800000000 ] - [ -0.0010172700000000, -0.0009230500000000, -0.0006938700000000 ] - [ 0.0008772800000000, -0.0004745700000000, 0.0008721000000000 ] - [ -0.0029415500000000, 0.0007384300000000, 0.0040076900000000 ] - [ -0.0002468300000000, -0.0005867900000000, -0.0006893600000000 ] - [ 0.0005156400000000, -0.0007576400000000, -0.0008409800000000 ] - [ 0.0008772800000000, 0.0004745700000000, 0.0008721000000000 ] - [ -0.0029415500000000, -0.0007384300000000, 0.0040076900000000 ] - [ -0.0002468300000000, 0.0005867900000000, -0.0006893600000000 ] - [ 0.0005156400000000, 0.0007576400000000, -0.0008409800000000 ] - [ 0.0001842300000000, 0.0000000000000000, 0.0001056900000000 ] - [ 0.0016175600000000, 0.0000000000000000, -0.0004654600000000 ] - [ 0.0011001000000000, 0.0000000000000000, 0.0001915500000000 ] - [ 0.0002303200000000, 0.0000000000000000, 0.0000973000000000 ] - [ 0.0012816100000000, -0.0005837500000000, 0.0015132300000000 ] - [ 0.0130673300000000, -0.0112848900000000, 0.0161489100000000 ] - [ 0.0010350300000000, -0.0000213900000000, -0.0009573200000000 ] - [ 0.0011180900000000, 0.0005544000000000, -0.0027530300000000 ] - [ 0.0012816100000000, 0.0005837500000000, 0.0015132300000000 ] - [ 0.0130673300000000, 0.0112848900000000, 0.0161489100000000 ] - [ 0.0010350300000000, 0.0000213900000000, -0.0009573200000000 ] - [ 0.0011180900000000, -0.0005544000000000, -0.0027530300000000 ] - [ -0.0001490600000000, 0.0000000000000000, 0.0014069100000000 ] - [ 0.0343622100000000, 0.0000000000000000, -0.0459480600000000 ] - [ -0.0002109900000000, 0.0000000000000000, -0.0001323900000000 ] - [ -0.0014001000000000, 0.0000000000000000, -0.0056554800000000 ] - [ -0.0000156300000000, 0.0000000000000000, 0.0004153200000000 ] - [ 0.0000748400000000, 0.0000000000000000, 0.0018786200000000 ] - [ -0.0000537700000000, 0.0000000000000000, -0.0011945500000000 ] - [ -0.0002301300000000, 0.0000000000000000, -0.0023768800000000 ] - [ 0.0002957400000000, -0.0007444600000000, 0.0004523300000000 ] - [ -0.0256527500000000, 0.0253701300000000, -0.0239480200000000 ] - [ -0.0001715100000000, -0.0005738000000000, -0.0008043900000000 ] - [ 0.0013135200000000, -0.0015905000000000, -0.0030655000000000 ] - [ 0.0002957400000000, 0.0007444600000000, 0.0004523300000000 ] - [ -0.0256527500000000, -0.0253701300000000, -0.0239480200000000 ] - [ -0.0001715100000000, 0.0005738000000000, -0.0008043900000000 ] - [ 0.0013135200000000, 0.0015905000000000, -0.0030655000000000 ]- atom: 77 displacement: [ 0.0099999999923824, 0.0000000000000000, -0.0000003903221875 ] forces: - [ 0.0061030000000000, 0.0043182200000000, -0.0005555300000000 ] - [ -0.0020746400000000, 0.0002240600000000, 0.0000767900000000 ] - [ 0.0001168800000000, -0.0000021200000000, -0.0000686900000000 ] - [ -0.0002439700000000, -0.0000252500000000, 0.0000441600000000 ] - [ 0.0061030000000000, -0.0043182200000000, -0.0005555300000000 ] - [ -0.0020746400000000, -0.0002240600000000, 0.0000767900000000 ] - [ 0.0001168800000000, 0.0000021200000000, -0.0000686900000000 ] - [ -0.0002439700000000, 0.0000252500000000, 0.0000441600000000 ] - [ -0.0002503000000000, 0.0000000000000000, 0.0002567100000000 ] - [ -0.0011606200000000, 0.0000000000000000, 0.0006605800000000 ] - [ -0.0003689400000000, 0.0000000000000000, 0.0001994800000000 ] - [ -0.0003159000000000, 0.0000000000000000, -0.0001119000000000 ] - [ -0.0033999600000000, 0.0000000000000000, -0.0026830600000000 ] - [ -0.0014090400000000, 0.0000000000000000, 0.0016668800000000 ] - [ 0.0002253600000000, 0.0000000000000000, -0.0001020200000000 ] - [ 0.0001749800000000, 0.0000000000000000, -0.0010989800000000 ] - [ -0.0005101900000000, 0.0000692400000000, -0.0006206300000000 ] - [ 0.0002728400000000, -0.0002357000000000, 0.0004320100000000 ] - [ -0.0003467300000000, 0.0000578500000000, 0.0001388000000000 ] - [ 0.0008332400000000, -0.0008010000000000, -0.0010491100000000 ] - [ -0.0005101900000000, -0.0000692400000000, -0.0006206300000000 ] - [ 0.0002728400000000, 0.0002357000000000, 0.0004320100000000 ] - [ -0.0003467300000000, -0.0000578500000000, 0.0001388000000000 ] - [ 0.0008332400000000, 0.0008010000000000, -0.0010491100000000 ] - [ 0.0029117800000000, 0.0000000000000000, -0.0002752500000000 ] - [ -0.0006321000000000, 0.0000000000000000, -0.0000368100000000 ] - [ 0.0014141700000000, 0.0000000000000000, 0.0005738800000000 ] - [ -0.0010174500000000, 0.0000000000000000, -0.0002798400000000 ] - [ -0.0041509000000000, 0.0000000000000000, 0.0009122400000000 ] - [ 0.1130364100000000, 0.0000000000000000, 0.0492643500000000 ] - [ -0.0007583500000000, 0.0000000000000000, -0.0009337400000000 ] - [ 0.0001706500000000, 0.0000000000000000, 0.0005064100000000 ] - [ 0.0046533500000000, 0.0000000000000000, 0.0002022000000000 ] - [ -0.0018393400000000, 0.0000000000000000, -0.0005805500000000 ] - [ 0.0013095300000000, 0.0000000000000000, -0.0009386400000000 ] - [ 0.0000054200000000, 0.0000000000000000, -0.0012035600000000 ] - [ 0.0567508800000000, 0.0000000000000000, 0.0011674100000000 ] - [ -0.0007776100000000, 0.0000000000000000, 0.0000082900000000 ] - [ 0.0022444700000000, 0.0000000000000000, 0.0003929200000000 ] - [ 0.0002811400000000, 0.0000000000000000, -0.0004452700000000 ] - [ 0.0052075900000000, -0.0006559300000000, -0.0053692400000000 ] - [ 0.0000232500000000, 0.0013042500000000, 0.0013389700000000 ] - [ 0.0001940700000000, 0.0010645100000000, 0.0015243200000000 ] - [ 0.0000371000000000, 0.0008499400000000, 0.0000951000000000 ] - [ 0.0052075900000000, 0.0006559300000000, -0.0053692400000000 ] - [ 0.0000232500000000, -0.0013042500000000, 0.0013389700000000 ] - [ 0.0001940700000000, -0.0010645100000000, 0.0015243200000000 ] - [ 0.0000371000000000, -0.0008499400000000, 0.0000951000000000 ] - [ -0.0023087900000000, 0.0034465800000000, -0.0007835800000000 ] - [ 0.0051915700000000, -0.0074104300000000, 0.0022933500000000 ] - [ -0.0008701000000000, 0.0014189300000000, -0.0008840100000000 ] - [ -0.0003252100000000, 0.0009579000000000, -0.0008297800000000 ] - [ -0.0023087900000000, -0.0034465800000000, -0.0007835800000000 ] - [ 0.0051915700000000, 0.0074104300000000, 0.0022933500000000 ] - [ -0.0008701000000000, -0.0014189300000000, -0.0008840100000000 ] - [ -0.0003252100000000, -0.0009579000000000, -0.0008297800000000 ] - [ -0.0024948000000000, 0.0000000000000000, -0.0008284800000000 ] - [ 0.0023250600000000, 0.0000000000000000, 0.0018364600000000 ] - [ -0.0014231300000000, 0.0000000000000000, -0.0006070900000000 ] - [ -0.0004837400000000, 0.0000000000000000, -0.0002568600000000 ] - [ -0.0015231400000000, 0.0000000000000000, 0.0005532700000000 ] - [ 0.0039541500000000, 0.0000000000000000, 0.0077630000000000 ] - [ -0.0022271400000000, 0.0000000000000000, 0.0008805000000000 ] - [ 0.0074380600000000, 0.0000000000000000, 0.0002582600000000 ] - [ -0.0040183400000000, -0.0023849100000000, 0.0009328100000000 ] - [ 0.0008283800000000, -0.0003114500000000, -0.0000386900000000 ] - [ -0.0018643500000000, -0.0006004100000000, -0.0020371800000000 ] - [ 0.0010342800000000, -0.0003397900000000, 0.0003604500000000 ] - [ -0.0040183400000000, 0.0023849100000000, 0.0009328100000000 ] - [ 0.0008283800000000, 0.0003114500000000, -0.0000386900000000 ] - [ -0.0018643500000000, 0.0006004100000000, -0.0020371800000000 ] - [ 0.0010342800000000, 0.0003397900000000, 0.0003604500000000 ] - [ -0.0023037600000000, 0.0000000000000000, -0.0004065800000000 ] - [ 0.0013111400000000, 0.0000000000000000, 0.0003004300000000 ] - [ -0.0004254700000000, 0.0000000000000000, 0.0006227900000000 ] - [ 0.0003965900000000, 0.0000000000000000, 0.0007762500000000 ] - [ -0.2027526000000000, 0.0000000000000000, -0.0672229500000000 ] - [ 0.0021720500000000, 0.0000000000000000, -0.0001708200000000 ] - [ -0.0003846400000000, 0.0000000000000000, -0.0006220300000000 ] - [ 0.0006622600000000, 0.0000000000000000, 0.0000842600000000 ] - [ -0.0024234200000000, 0.0120155100000000, 0.0254328600000000 ] - [ 0.0001836000000000, -0.0002673800000000, -0.0005984000000000 ] - [ -0.0010953900000000, -0.0007162000000000, -0.0006357200000000 ] - [ -0.0005205700000000, -0.0001122500000000, 0.0003655800000000 ] - [ -0.0024234200000000, -0.0120155100000000, 0.0254328600000000 ] - [ 0.0001836000000000, 0.0002673800000000, -0.0005984000000000 ] - [ -0.0010953900000000, 0.0007162000000000, -0.0006357200000000 ] - [ -0.0005205700000000, 0.0001122500000000, 0.0003655800000000 ] - [ -0.0029148900000000, 0.0000000000000000, -0.0003309100000000 ] - [ 0.0010595100000000, 0.0000000000000000, -0.0004231700000000 ] - [ -0.0015649700000000, 0.0000000000000000, 0.0003829000000000 ] - [ -0.0003932200000000, 0.0000000000000000, -0.0001419800000000 ] - [ -0.0006858300000000, -0.0018388900000000, 0.0020311000000000 ] - [ 0.0003222700000000, 0.0007545300000000, -0.0003889000000000 ] - [ -0.0003180300000000, 0.0004497400000000, -0.0005044100000000 ] - [ 0.0005220600000000, 0.0007303300000000, 0.0003997700000000 ] - [ -0.0006858300000000, 0.0018388900000000, 0.0020311000000000 ] - [ 0.0003222700000000, -0.0007545300000000, -0.0003889000000000 ] - [ -0.0003180300000000, -0.0004497400000000, -0.0005044100000000 ] - [ 0.0005220600000000, -0.0007303300000000, 0.0003997700000000 ] - [ 0.0033640800000000, -0.0021540800000000, 0.0001427500000000 ] - [ 0.0082913200000000, 0.0108683900000000, -0.0001097100000000 ] - [ 0.0003507000000000, -0.0007236500000000, 0.0004393100000000 ] - [ 0.0000690400000000, -0.0003799600000000, 0.0000944800000000 ] - [ 0.0033640800000000, 0.0021540800000000, 0.0001427500000000 ] - [ 0.0082913200000000, -0.0108683900000000, -0.0001097100000000 ] - [ 0.0003507000000000, 0.0007236500000000, 0.0004393100000000 ] - [ 0.0000690400000000, 0.0003799600000000, 0.0000944800000000 ] - [ 0.0015440500000000, 0.0000000000000000, 0.0008275100000000 ] - [ 0.0009145000000000, 0.0000000000000000, -0.0020678200000000 ] - [ 0.0020893400000000, 0.0000000000000000, -0.0006581400000000 ] - [ -0.0012084600000000, 0.0000000000000000, 0.0068776200000000 ] - [ 0.0017451300000000, -0.0010763000000000, 0.0005372300000000 ] - [ -0.0004731100000000, 0.0021483500000000, -0.0026991300000000 ] - [ 0.0011204300000000, -0.0004860300000000, 0.0003435400000000 ] - [ 0.0006647700000000, -0.0001700800000000, 0.0002579500000000 ] - [ 0.0017451300000000, 0.0010763000000000, 0.0005372300000000 ] - [ -0.0004731100000000, -0.0021483500000000, -0.0026991300000000 ] - [ 0.0011204300000000, 0.0004860300000000, 0.0003435400000000 ] - [ 0.0006647700000000, 0.0001700800000000, 0.0002579500000000 ] - [ 0.0005213900000000, 0.0000000000000000, 0.0011081500000000 ] - [ -0.0018978100000000, 0.0000000000000000, -0.0013055900000000 ] - [ 0.0003957300000000, 0.0000000000000000, 0.0008079200000000 ] - [ -0.0009792200000000, 0.0000000000000000, 0.0005747300000000 ] - [ 0.0013021200000000, 0.0000000000000000, -0.0003074200000000 ] - [ -0.0001635200000000, 0.0000000000000000, -0.0351505900000000 ] - [ 0.0005650100000000, 0.0000000000000000, -0.0003600800000000 ] - [ -0.0022762900000000, 0.0000000000000000, 0.0004120300000000 ] - [ 0.0016253500000000, -0.0016870900000000, -0.0006053600000000 ] - [ -0.0038515500000000, 0.0016742400000000, 0.0003195200000000 ] - [ 0.0001991300000000, -0.0007296000000000, 0.0000644300000000 ] - [ -0.0005357700000000, -0.0004227400000000, -0.0000508700000000 ] - [ 0.0016253500000000, 0.0016870900000000, -0.0006053600000000 ] - [ -0.0038515500000000, -0.0016742400000000, 0.0003195200000000 ] - [ 0.0001991300000000, 0.0007296000000000, 0.0000644300000000 ] - [ -0.0005357700000000, 0.0004227400000000, -0.0000508700000000 ]- atom: 77 displacement: [ -0.0099999999923824, 0.0000000000000000, 0.0000003903221875 ] forces: - [ -0.0063563900000000, -0.0046861600000000, 0.0010238900000000 ] - [ 0.0018962000000000, -0.0003332100000000, 0.0002945000000000 ] - [ -0.0002862800000000, -0.0001081800000000, 0.0004300900000000 ] - [ 0.0000749600000000, -0.0000845000000000, 0.0003253500000000 ] - [ -0.0063563900000000, 0.0046861600000000, 0.0010238900000000 ] - [ 0.0018962000000000, 0.0003332100000000, 0.0002945000000000 ] - [ -0.0002862800000000, 0.0001081800000000, 0.0004300900000000 ] - [ 0.0000749600000000, 0.0000845000000000, 0.0003253500000000 ] - [ -0.0004023000000000, 0.0000000000000000, 0.0000868500000000 ] - [ 0.0005127100000000, 0.0000000000000000, -0.0003187300000000 ] - [ -0.0002775800000000, 0.0000000000000000, 0.0001320100000000 ] - [ -0.0003294100000000, 0.0000000000000000, 0.0004442600000000 ] - [ 0.0040436100000000, 0.0000000000000000, 0.0023767800000000 ] - [ 0.0020620000000000, 0.0000000000000000, -0.0019800500000000 ] - [ 0.0004207300000000, 0.0000000000000000, -0.0002375600000000 ] - [ 0.0004711200000000, 0.0000000000000000, 0.0007554600000000 ] - [ 0.0006707500000000, -0.0001789200000000, 0.0002485400000000 ] - [ -0.0000960000000000, 0.0001302800000000, -0.0008015700000000 ] - [ 0.0005153400000000, -0.0001690400000000, -0.0005112900000000 ] - [ -0.0006614100000000, 0.0006842700000000, 0.0006713000000000 ] - [ 0.0006707500000000, 0.0001789200000000, 0.0002485400000000 ] - [ -0.0000960000000000, -0.0001302800000000, -0.0008015700000000 ] - [ 0.0005153400000000, 0.0001690400000000, -0.0005112900000000 ] - [ -0.0006614100000000, -0.0006842700000000, 0.0006713000000000 ] - [ -0.0023454000000000, 0.0000000000000000, 0.0004371300000000 ] - [ 0.0011756400000000, 0.0000000000000000, 0.0002094500000000 ] - [ -0.0008667600000000, 0.0000000000000000, -0.0004087500000000 ] - [ 0.0015585500000000, 0.0000000000000000, 0.0004397500000000 ] - [ 0.0036122300000000, 0.0000000000000000, -0.0010823700000000 ] - [ -0.1081600100000000, 0.0000000000000000, -0.0457703600000000 ] - [ 0.0002022500000000, 0.0000000000000000, 0.0007599400000000 ] - [ -0.0007110400000000, 0.0000000000000000, -0.0006967600000000 ] - [ -0.0038295600000000, 0.0000000000000000, -0.0018623600000000 ] - [ 0.0026477800000000, 0.0000000000000000, -0.0010914000000000 ] - [ -0.0004868900000000, 0.0000000000000000, -0.0007481300000000 ] - [ 0.0008064400000000, 0.0000000000000000, -0.0004793000000000 ] - [ -0.0548875700000000, 0.0000000000000000, 0.0000999600000000 ] - [ 0.0027902500000000, 0.0000000000000000, 0.0004352900000000 ] - [ -0.0002246200000000, 0.0000000000000000, 0.0000267200000000 ] - [ 0.0017313000000000, 0.0000000000000000, 0.0008714000000000 ] - [ -0.0038082300000000, 0.0030170700000000, 0.0064910000000000 ] - [ 0.0013359900000000, 0.0011186300000000, -0.0001244400000000 ] - [ 0.0011704500000000, 0.0013602300000000, -0.0003255000000000 ] - [ 0.0013208300000000, 0.0015703800000000, 0.0011056600000000 ] - [ -0.0038082300000000, -0.0030170700000000, 0.0064910000000000 ] - [ 0.0013359900000000, -0.0011186300000000, -0.0001244400000000 ] - [ 0.0011704500000000, -0.0013602300000000, -0.0003255000000000 ] - [ 0.0013208300000000, -0.0015703800000000, 0.0011056600000000 ] - [ 0.0009466800000000, -0.0010346900000000, -0.0004109800000000 ] - [ -0.0064788500000000, 0.0097760500000000, -0.0034590700000000 ] - [ -0.0004918600000000, 0.0010063400000000, -0.0003295900000000 ] - [ -0.0010316300000000, 0.0014655100000000, -0.0003863700000000 ] - [ 0.0009466800000000, 0.0010346900000000, -0.0004109800000000 ] - [ -0.0064788500000000, -0.0097760500000000, -0.0034590700000000 ] - [ -0.0004918600000000, -0.0010063400000000, -0.0003295900000000 ] - [ -0.0010316300000000, -0.0014655100000000, -0.0003863700000000 ] - [ 0.0004728900000000, 0.0000000000000000, 0.0003996700000000 ] - [ -0.0043185200000000, 0.0000000000000000, -0.0022525900000000 ] - [ -0.0005953300000000, 0.0000000000000000, 0.0001659800000000 ] - [ -0.0015302400000000, 0.0000000000000000, -0.0001845300000000 ] - [ 0.0007002700000000, 0.0000000000000000, 0.0011322600000000 ] - [ -0.0047686500000000, 0.0000000000000000, -0.0061809000000000 ] - [ 0.0014096400000000, 0.0000000000000000, 0.0007922400000000 ] - [ -0.0082191600000000, 0.0000000000000000, 0.0013859300000000 ] - [ 0.0041443300000000, 0.0011553800000000, -0.0006217300000000 ] - [ -0.0006886600000000, -0.0009238100000000, 0.0003208300000000 ] - [ 0.0019900900000000, -0.0006402500000000, 0.0023265200000000 ] - [ -0.0008939200000000, -0.0008959200000000, -0.0000718700000000 ] - [ 0.0041443300000000, -0.0011553800000000, -0.0006217300000000 ] - [ -0.0006886600000000, 0.0009238100000000, 0.0003208300000000 ] - [ 0.0019900900000000, 0.0006402500000000, 0.0023265200000000 ] - [ -0.0008939200000000, 0.0008959200000000, -0.0000718700000000 ] - [ 0.0024685300000000, 0.0000000000000000, 0.0012888700000000 ] - [ -0.0011280400000000, 0.0000000000000000, 0.0005883000000000 ] - [ 0.0005988700000000, 0.0000000000000000, 0.0002808500000000 ] - [ -0.0002179800000000, 0.0000000000000000, 0.0001247300000000 ] - [ 0.1974120900000000, 0.0000000000000000, 0.0616030900000000 ] - [ -0.0017165700000000, 0.0000000000000000, -0.0008857500000000 ] - [ 0.0008384900000000, 0.0000000000000000, -0.0004157700000000 ] - [ -0.0002037500000000, 0.0000000000000000, -0.0011282100000000 ] - [ 0.0006968100000000, -0.0126639800000000, -0.0256234400000000 ] - [ -0.0020388600000000, -0.0003848800000000, 0.0003678000000000 ] - [ -0.0007634500000000, 0.0000679000000000, 0.0004202900000000 ] - [ -0.0013345500000000, -0.0005362000000000, -0.0005818200000000 ] - [ 0.0006968100000000, 0.0126639800000000, -0.0256234400000000 ] - [ -0.0020388600000000, 0.0003848800000000, 0.0003678000000000 ] - [ -0.0007634500000000, -0.0000679000000000, 0.0004202900000000 ] - [ -0.0013345500000000, 0.0005362000000000, -0.0005818200000000 ] - [ 0.0015427400000000, 0.0000000000000000, -0.0001401100000000 ] - [ -0.0024195900000000, 0.0000000000000000, -0.0000481900000000 ] - [ 0.0001898800000000, 0.0000000000000000, -0.0008432800000000 ] - [ -0.0009744200000000, 0.0000000000000000, -0.0003219900000000 ] - [ 0.0003987500000000, 0.0030791500000000, -0.0023152800000000 ] - [ -0.0006077100000000, 0.0005200500000000, 0.0000815600000000 ] - [ 0.0000278800000000, 0.0008264100000000, 0.0002018900000000 ] - [ -0.0008087600000000, 0.0005410900000000, -0.0006970300000000 ] - [ 0.0003987500000000, -0.0030791500000000, -0.0023152800000000 ] - [ -0.0006077100000000, -0.0005200500000000, 0.0000815600000000 ] - [ 0.0000278800000000, -0.0008264100000000, 0.0002018900000000 ] - [ -0.0008087600000000, -0.0005410900000000, -0.0006970300000000 ] - [ -0.0030861200000000, 0.0008947700000000, 0.0001546800000000 ] - [ -0.0078340000000000, -0.0119392500000000, 0.0003927000000000 ] - [ -0.0000585000000000, -0.0005508800000000, -0.0001309700000000 ] - [ 0.0002160100000000, -0.0008949700000000, 0.0002156600000000 ] - [ -0.0030861200000000, -0.0008947700000000, 0.0001546800000000 ] - [ -0.0078340000000000, 0.0119392500000000, 0.0003927000000000 ] - [ -0.0000585000000000, 0.0005508800000000, -0.0001309700000000 ] - [ 0.0002160100000000, 0.0008949700000000, 0.0002156600000000 ] - [ -0.0001676700000000, 0.0000000000000000, -0.0003560500000000 ] - [ 0.0004262000000000, 0.0000000000000000, 0.0025667400000000 ] - [ -0.0007228200000000, 0.0000000000000000, 0.0011297700000000 ] - [ 0.0026087900000000, 0.0000000000000000, -0.0062674600000000 ] - [ 0.0001164100000000, 0.0004297600000000, -0.0003233900000000 ] - [ 0.0023140900000000, -0.0027807600000000, 0.0028887800000000 ] - [ 0.0007380700000000, -0.0001670800000000, -0.0001161300000000 ] - [ 0.0011900700000000, -0.0004802700000000, -0.0000277600000000 ] - [ 0.0001164100000000, -0.0004297600000000, -0.0003233900000000 ] - [ 0.0023140900000000, 0.0027807600000000, 0.0028887800000000 ] - [ 0.0007380700000000, 0.0001670800000000, -0.0001161300000000 ] - [ 0.0011900700000000, 0.0004802700000000, -0.0000277600000000 ] - [ -0.0009744700000000, 0.0000000000000000, -0.0000652700000000 ] - [ 0.0014339800000000, 0.0000000000000000, 0.0023393800000000 ] - [ -0.0008435200000000, 0.0000000000000000, 0.0002461200000000 ] - [ 0.0005214400000000, 0.0000000000000000, 0.0004780900000000 ] - [ -0.0014743300000000, 0.0000000000000000, -0.0005952400000000 ] - [ -0.0000608600000000, 0.0000000000000000, 0.0341138900000000 ] - [ -0.0007391900000000, 0.0000000000000000, -0.0005286300000000 ] - [ 0.0020900600000000, 0.0000000000000000, -0.0012904700000000 ] - [ -0.0017595000000000, 0.0004534900000000, 0.0003175800000000 ] - [ 0.0036852700000000, -0.0028993000000000, -0.0006091800000000 ] - [ -0.0003346100000000, -0.0005077400000000, -0.0003472500000000 ] - [ 0.0003942200000000, -0.0008125600000000, -0.0002293000000000 ] - [ -0.0017595000000000, -0.0004534900000000, 0.0003175800000000 ] - [ 0.0036852700000000, 0.0028993000000000, -0.0006091800000000 ] - [ -0.0003346100000000, 0.0005077400000000, -0.0003472500000000 ] - [ 0.0003942200000000, 0.0008125600000000, -0.0002293000000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0050428000000000, 0.0107042900000000, -0.0020862300000000 ] - [ 0.0005582700000000, -0.0000362600000000, 0.0002936800000000 ] - [ -0.0000622200000000, -0.0000574000000000, -0.0000285800000000 ] - [ -0.0000855100000000, -0.0000487400000000, 0.0001830400000000 ] - [ -0.0056256300000000, 0.0113689900000000, 0.0026718400000000 ] - [ -0.0007300000000000, 0.0000732000000000, 0.0000793900000000 ] - [ -0.0001074300000000, 0.0000521500000000, 0.0003938000000000 ] - [ -0.0000838700000000, 0.0000612000000000, 0.0001868700000000 ] - [ -0.0003221300000000, -0.0013120900000000, 0.0001720400000000 ] - [ -0.0003242000000000, -0.0004819900000000, 0.0001692400000000 ] - [ -0.0003223800000000, -0.0001438900000000, 0.0001659200000000 ] - [ -0.0003231200000000, -0.0000760400000000, 0.0001664300000000 ] - [ 0.0003154100000000, 0.0016747200000000, -0.0001687500000000 ] - [ 0.0003280000000000, 0.0010074500000000, -0.0001635700000000 ] - [ 0.0003235600000000, 0.0001211400000000, -0.0001687300000000 ] - [ 0.0003223300000000, 0.0000384500000000, -0.0001703100000000 ] - [ 0.0004966700000000, -0.0001809300000000, 0.0000377700000000 ] - [ -0.0001176000000000, -0.0001106900000000, 0.0000513800000000 ] - [ 0.0001881300000000, -0.0000873800000000, -0.0002679000000000 ] - [ -0.0001570300000000, -0.0002022300000000, -0.0010296900000000 ] - [ -0.0003308200000000, -0.0000710400000000, -0.0004097200000000 ] - [ 0.0002910300000000, -0.0000067600000000, -0.0004221900000000 ] - [ -0.0000170400000000, 0.0000213700000000, -0.0001036500000000 ] - [ 0.0003232800000000, -0.0000915200000000, 0.0006504300000000 ] - [ 0.0002802800000000, -0.0024046500000000, 0.0000873000000000 ] - [ 0.0002722900000000, -0.0001846200000000, 0.0000858300000000 ] - [ 0.0002781700000000, -0.0014870200000000, 0.0000788100000000 ] - [ 0.0002699900000000, -0.0005006400000000, 0.0000839800000000 ] - [ -0.0002756600000000, 0.0013485700000000, -0.0000823200000000 ] - [ -0.0006005200000000, 0.0099926900000000, -0.0001902000000000 ] - [ -0.0002757200000000, 0.0002493700000000, -0.0000866700000000 ] - [ -0.0002744900000000, 0.0002067100000000, -0.0000949100000000 ] - [ 0.0004208200000000, -0.0066545100000000, -0.0008288900000000 ] - [ 0.0004042900000000, -0.0005403700000000, -0.0008385900000000 ] - [ 0.0004086900000000, -0.0001402100000000, -0.0008430000000000 ] - [ 0.0004069100000000, -0.0001439000000000, -0.0008415400000000 ] - [ 0.0009714700000000, 0.0458466500000000, 0.0006137000000000 ] - [ 0.0010079000000000, 0.0004392400000000, 0.0002188600000000 ] - [ 0.0010104300000000, 0.0007273000000000, 0.0002104400000000 ] - [ 0.0010073800000000, 0.0001520500000000, 0.0002148400000000 ] - [ 0.0045110100000000, -0.0023036500000000, -0.0052356900000000 ] - [ 0.0007323000000000, 0.0011627800000000, 0.0004263000000000 ] - [ -0.0004546900000000, 0.0005691200000000, 0.0015505000000000 ] - [ 0.0007493800000000, 0.0013805700000000, 0.0008143600000000 ] - [ -0.0031464200000000, -0.0047041700000000, 0.0064078800000000 ] - [ 0.0006283600000000, -0.0012585800000000, 0.0007838100000000 ] - [ 0.0018202600000000, -0.0018540000000000, -0.0003496900000000 ] - [ 0.0006075800000000, -0.0010392100000000, 0.0003926500000000 ] - [ -0.0001612600000000, 0.0005226200000000, -0.0005437800000000 ] - [ -0.0025648400000000, -0.0026827500000000, 0.0019435400000000 ] - [ -0.0006301600000000, 0.0011397000000000, -0.0005456600000000 ] - [ -0.0007348300000000, 0.0012602400000000, -0.0006088400000000 ] - [ -0.0011996300000000, -0.0019016600000000, -0.0006614500000000 ] - [ 0.0011453400000000, -0.0051030300000000, -0.0031291500000000 ] - [ -0.0007300300000000, -0.0012841900000000, -0.0006668100000000 ] - [ -0.0006237800000000, -0.0011652100000000, -0.0006076900000000 ] - [ -0.0010104900000000, -0.0008318000000000, -0.0002157100000000 ] - [ -0.0010095900000000, -0.0030712600000000, -0.0002062500000000 ] - [ -0.0010089000000000, -0.0001334700000000, -0.0002184600000000 ] - [ -0.0010084500000000, -0.0001507100000000, -0.0002226400000000 ] - [ -0.0004082400000000, 0.0001680700000000, 0.0008402200000000 ] - [ -0.0004119900000000, 0.0009307000000000, 0.0007974800000000 ] - [ -0.0004084300000000, 0.0002800500000000, 0.0008394500000000 ] - [ -0.0003986800000000, 0.0026929800000000, 0.0008277700000000 ] - [ -0.0026170800000000, -0.0019301000000000, 0.0015790300000000 ] - [ -0.0000139300000000, -0.0007125000000000, 0.0002151500000000 ] - [ 0.0005518700000000, -0.0008779400000000, -0.0022513900000000 ] - [ -0.0000561200000000, -0.0007700000000000, 0.0000374600000000 ] - [ 0.0027650000000000, -0.0007086100000000, -0.0012717500000000 ] - [ 0.0001523200000000, 0.0005224600000000, 0.0000734400000000 ] - [ -0.0004242000000000, 0.0003582000000000, 0.0025513400000000 ] - [ 0.0001970900000000, 0.0004644300000000, 0.0002499200000000 ] - [ 0.0000871700000000, 0.0022250800000000, 0.0004374000000000 ] - [ 0.0000899200000000, 0.0002855000000000, 0.0004462200000000 ] - [ 0.0000867500000000, 0.0001034400000000, 0.0004513200000000 ] - [ 0.0000882200000000, 0.0000720800000000, 0.0004493100000000 ] - [ 0.0011202900000000, -0.0821078200000000, -0.0010342200000000 ] - [ 0.0002284700000000, -0.0003787400000000, -0.0005266400000000 ] - [ 0.0002270600000000, -0.0002081200000000, -0.0005202900000000 ] - [ 0.0002279400000000, -0.0000562700000000, -0.0005249800000000 ] - [ 0.0075580300000000, 0.0049341900000000, 0.0278792800000000 ] - [ -0.0011462000000000, -0.0004967100000000, 0.0000473400000000 ] - [ -0.0006226400000000, -0.0006555700000000, -0.0007799700000000 ] - [ -0.0009261200000000, -0.0004489800000000, -0.0002141200000000 ] - [ -0.0095262600000000, 0.0055220500000000, -0.0282342600000000 ] - [ -0.0007092300000000, 0.0001553700000000, -0.0002731200000000 ] - [ -0.0012356600000000, -0.0000047200000000, 0.0005633600000000 ] - [ -0.0009277600000000, 0.0002017700000000, -0.0000073200000000 ] - [ -0.0006930500000000, 0.0025362600000000, -0.0002305800000000 ] - [ -0.0006822700000000, 0.0004346700000000, -0.0002351600000000 ] - [ -0.0006883700000000, 0.0004055100000000, -0.0002311200000000 ] - [ -0.0006869900000000, 0.0000552800000000, -0.0002324100000000 ] - [ 0.0000331000000000, 0.0040701600000000, -0.0019345700000000 ] - [ -0.0000504100000000, 0.0007391000000000, -0.0002316700000000 ] - [ -0.0003082400000000, 0.0012647500000000, 0.0000432500000000 ] - [ 0.0000857900000000, 0.0007674400000000, 0.0000735400000000 ] - [ -0.0003198900000000, 0.0028135800000000, 0.0016444500000000 ] - [ -0.0002373000000000, -0.0005357800000000, -0.0000714300000000 ] - [ 0.0000127500000000, -0.0000115400000000, -0.0003431700000000 ] - [ -0.0003725200000000, -0.0005055400000000, -0.0003740900000000 ] - [ -0.0011712000000000, -0.0009185700000000, 0.0001685400000000 ] - [ 0.0056884400000000, 0.0014908600000000, 0.0004918100000000 ] - [ 0.0000273800000000, -0.0007073400000000, 0.0000707100000000 ] - [ 0.0001475800000000, -0.0006907400000000, 0.0001453500000000 ] - [ 0.0014633700000000, 0.0003597300000000, 0.0001309400000000 ] - [ -0.0053520300000000, 0.0027905300000000, -0.0001892000000000 ] - [ 0.0002652000000000, 0.0005667700000000, 0.0002332400000000 ] - [ 0.0001424000000000, 0.0005850300000000, 0.0001617400000000 ] - [ 0.0006856900000000, -0.0003158600000000, 0.0002361000000000 ] - [ 0.0006744200000000, -0.0003950600000000, 0.0002504200000000 ] - [ 0.0006855500000000, -0.0002563600000000, 0.0002327300000000 ] - [ 0.0006976800000000, -0.0023978800000000, 0.0002729300000000 ] - [ 0.0005887100000000, 0.0002171100000000, -0.0000392300000000 ] - [ 0.0009032200000000, 0.0016277800000000, -0.0017467800000000 ] - [ 0.0008955300000000, -0.0002444900000000, 0.0000872800000000 ] - [ 0.0009232600000000, -0.0002571900000000, 0.0001226000000000 ] - [ 0.0012674100000000, 0.0008687000000000, 0.0002606700000000 ] - [ 0.0009577800000000, 0.0022804500000000, 0.0019538900000000 ] - [ 0.0009613600000000, 0.0004087900000000, 0.0001377800000000 ] - [ 0.0009330500000000, 0.0003967400000000, 0.0001074500000000 ] - [ -0.0002256000000000, 0.0002132700000000, 0.0005216300000000 ] - [ -0.0002279300000000, 0.0009280500000000, 0.0005162300000000 ] - [ -0.0002250000000000, 0.0001056800000000, 0.0005244200000000 ] - [ -0.0002285500000000, 0.0004365500000000, 0.0005280400000000 ] - [ -0.0000859500000000, -0.0002160700000000, -0.0004475800000000 ] - [ -0.0001362300000000, -0.0079352200000000, -0.0003198400000000 ] - [ -0.0000860400000000, -0.0000962400000000, -0.0004470300000000 ] - [ -0.0000907600000000, -0.0005955400000000, -0.0004405800000000 ] - [ -0.0004107500000000, -0.0001445500000000, -0.0000255900000000 ] - [ 0.0010512900000000, 0.0049975700000000, 0.0000929200000000 ] - [ -0.0001379600000000, -0.0005413900000000, -0.0001782600000000 ] - [ -0.0000518100000000, -0.0005207400000000, -0.0002053100000000 ] - [ 0.0002764700000000, 0.0010933000000000, -0.0002636800000000 ] - [ -0.0011607900000000, 0.0061885900000000, -0.0003777900000000 ] - [ -0.0000005100000000, 0.0006939500000000, -0.0001088300000000 ] - [ -0.0000887700000000, 0.0007155900000000, -0.0000795500000000 ]- atom: 77 displacement: [ -0.0015728055973509, 0.0000000000000000, 0.0098755396081906 ] forces: - [ -0.0015615400000000, -0.0031230400000000, 0.0057684200000000 ] - [ -0.0006255700000000, 0.0000781100000000, 0.0006657600000000 ] - [ 0.0000277300000000, -0.0000640700000000, -0.0018207400000000 ] - [ -0.0001348100000000, -0.0000417100000000, -0.0003383800000000 ] - [ -0.0015615400000000, 0.0031230400000000, 0.0057684200000000 ] - [ -0.0006255700000000, -0.0000781100000000, 0.0006657600000000 ] - [ 0.0000277300000000, 0.0000640700000000, -0.0018207400000000 ] - [ -0.0001348100000000, 0.0000417100000000, -0.0003383800000000 ] - [ -0.0009527400000000, 0.0000000000000000, 0.0017694300000000 ] - [ -0.0002735500000000, 0.0000000000000000, 0.0007212200000000 ] - [ -0.0000266500000000, 0.0000000000000000, -0.0008989100000000 ] - [ -0.0005031500000000, 0.0000000000000000, -0.0003716400000000 ] - [ -0.0026955700000000, 0.0000000000000000, 0.0013542200000000 ] - [ 0.0026264200000000, 0.0000000000000000, 0.0017833300000000 ] - [ 0.0009583100000000, 0.0000000000000000, -0.0009139800000000 ] - [ -0.0005750300000000, 0.0000000000000000, -0.0026235400000000 ] - [ -0.0011661400000000, 0.0001783700000000, -0.0006064500000000 ] - [ 0.0012723700000000, 0.0010171900000000, -0.0006065400000000 ] - [ 0.0005446500000000, -0.0001308300000000, -0.0001311400000000 ] - [ -0.0007901300000000, -0.0021205600000000, -0.0008418100000000 ] - [ -0.0011661400000000, -0.0001783700000000, -0.0006064500000000 ] - [ 0.0012723700000000, -0.0010171900000000, -0.0006065400000000 ] - [ 0.0005446500000000, 0.0001308300000000, -0.0001311400000000 ] - [ -0.0007901300000000, 0.0021205600000000, -0.0008418100000000 ] - [ 0.0033686900000000, 0.0000000000000000, -0.0019825300000000 ] - [ 0.0002529000000000, 0.0000000000000000, -0.0004351700000000 ] - [ 0.0000329000000000, 0.0000000000000000, 0.0005922100000000 ] - [ -0.0005935600000000, 0.0000000000000000, 0.0004693800000000 ] - [ 0.0003551500000000, 0.0000000000000000, 0.0013557200000000 ] - [ 0.0258251100000000, 0.0000000000000000, 0.0336807900000000 ] - [ -0.0010869300000000, 0.0000000000000000, -0.0020709200000000 ] - [ 0.0005637100000000, 0.0000000000000000, -0.0056625800000000 ] - [ 0.0013815800000000, 0.0000000000000000, 0.0032087300000000 ] - [ -0.0000891300000000, 0.0000000000000000, 0.0002056500000000 ] - [ 0.0020106400000000, 0.0000000000000000, -0.0031931100000000 ] - [ 0.0001831500000000, 0.0000000000000000, -0.0018020600000000 ] - [ -0.0100712200000000, 0.0000000000000000, 0.1584219700000000 ] - [ 0.0008028500000000, 0.0000000000000000, 0.0016854000000000 ] - [ 0.0026529200000000, 0.0000000000000000, -0.0047866500000000 ] - [ 0.0003023300000000, 0.0000000000000000, -0.0013645000000000 ] - [ 0.0038391800000000, -0.0048387500000000, -0.0073008100000000 ] - [ 0.0007179300000000, 0.0011912900000000, 0.0009923800000000 ] - [ 0.0054141300000000, 0.0040415400000000, -0.0030712700000000 ] - [ -0.0000344000000000, 0.0012346600000000, 0.0002475700000000 ] - [ 0.0038391800000000, 0.0048387500000000, -0.0073008100000000 ] - [ 0.0007179300000000, -0.0011912900000000, 0.0009923800000000 ] - [ 0.0054141300000000, -0.0040415400000000, -0.0030712700000000 ] - [ -0.0000344000000000, -0.0012346600000000, 0.0002475700000000 ] - [ -0.0009040200000000, 0.0003426900000000, 0.0011617300000000 ] - [ -0.0005260000000000, -0.0007171300000000, 0.0046929600000000 ] - [ -0.0007980600000000, 0.0018193500000000, -0.0019039100000000 ] - [ -0.0001393800000000, 0.0016079600000000, -0.0029136400000000 ] - [ -0.0009040200000000, -0.0003426900000000, 0.0011617300000000 ] - [ -0.0005260000000000, 0.0007171300000000, 0.0046929600000000 ] - [ -0.0007980600000000, -0.0018193500000000, -0.0019039100000000 ] - [ -0.0001393800000000, -0.0016079600000000, -0.0029136400000000 ] - [ -0.0015772400000000, 0.0000000000000000, 0.0003311600000000 ] - [ 0.0002375800000000, 0.0000000000000000, 0.0025040000000000 ] - [ -0.0011655700000000, 0.0000000000000000, -0.0011008600000000 ] - [ -0.0008948400000000, 0.0000000000000000, -0.0023376800000000 ] - [ -0.0014809700000000, 0.0000000000000000, 0.0013725300000000 ] - [ -0.0002307300000000, 0.0000000000000000, -0.0125365000000000 ] - [ -0.0006251500000000, 0.0000000000000000, 0.0002974100000000 ] - [ 0.0057517200000000, 0.0000000000000000, -0.0083167600000000 ] - [ -0.0005372700000000, 0.0011941300000000, 0.0047633500000000 ] - [ 0.0004467400000000, -0.0004720200000000, 0.0000483400000000 ] - [ -0.0041837800000000, -0.0048870000000000, 0.0065219300000000 ] - [ 0.0004340100000000, -0.0005521900000000, 0.0002370900000000 ] - [ -0.0005372700000000, -0.0011941300000000, 0.0047633500000000 ] - [ 0.0004467400000000, 0.0004720200000000, 0.0000483400000000 ] - [ -0.0041837800000000, 0.0048870000000000, 0.0065219300000000 ] - [ 0.0004340100000000, 0.0005521900000000, 0.0002370900000000 ] - [ -0.0006891100000000, 0.0000000000000000, -0.0029472400000000 ] - [ 0.0005852100000000, 0.0000000000000000, -0.0004722100000000 ] - [ -0.0004849100000000, 0.0000000000000000, 0.0026650800000000 ] - [ 0.0001620600000000, 0.0000000000000000, 0.0013508000000000 ] - [ -0.0316087200000000, 0.0000000000000000, -0.3097325700000000 ] - [ 0.0002728400000000, 0.0000000000000000, -0.0016319200000000 ] - [ 0.0002257300000000, 0.0000000000000000, 0.0039525900000000 ] - [ 0.0007538800000000, 0.0000000000000000, 0.0008712300000000 ] - [ 0.0117251000000000, 0.0197419500000000, 0.0289975000000000 ] - [ -0.0010470400000000, -0.0003184100000000, -0.0008132500000000 ] - [ -0.0025499900000000, -0.0000927400000000, 0.0030675300000000 ] - [ -0.0002418400000000, -0.0002596900000000, 0.0006919300000000 ] - [ 0.0117251000000000, -0.0197419500000000, 0.0289975000000000 ] - [ -0.0010470400000000, 0.0003184100000000, -0.0008132500000000 ] - [ -0.0025499900000000, 0.0000927400000000, 0.0030675300000000 ] - [ -0.0002418400000000, 0.0002596900000000, 0.0006919300000000 ] - [ -0.0005661300000000, 0.0000000000000000, -0.0019046500000000 ] - [ -0.0001155700000000, 0.0000000000000000, -0.0008703200000000 ] - [ -0.0022648000000000, 0.0000000000000000, 0.0022125000000000 ] - [ -0.0006732000000000, 0.0000000000000000, 0.0003286700000000 ] - [ 0.0005210300000000, -0.0044793700000000, 0.0029066400000000 ] - [ -0.0003301500000000, 0.0005140100000000, -0.0002013000000000 ] - [ -0.0016106500000000, 0.0024025000000000, 0.0001092400000000 ] - [ 0.0005530800000000, 0.0009286400000000, 0.0000141100000000 ] - [ 0.0005210300000000, 0.0044793700000000, 0.0029066400000000 ] - [ -0.0003301500000000, -0.0005140100000000, -0.0002013000000000 ] - [ -0.0016106500000000, -0.0024025000000000, 0.0001092400000000 ] - [ 0.0005530800000000, -0.0009286400000000, 0.0000141100000000 ] - [ -0.0004226500000000, -0.0000779200000000, -0.0014266300000000 ] - [ 0.0026076800000000, 0.0019365100000000, -0.0043733600000000 ] - [ 0.0005377100000000, -0.0008949500000000, 0.0012374900000000 ] - [ -0.0001763800000000, -0.0012033000000000, 0.0018627700000000 ] - [ -0.0004226500000000, 0.0000779200000000, -0.0014266300000000 ] - [ 0.0026076800000000, -0.0019365100000000, -0.0043733600000000 ] - [ 0.0005377100000000, 0.0008949500000000, 0.0012374900000000 ] - [ -0.0001763800000000, 0.0012033000000000, 0.0018627700000000 ] - [ 0.0019957400000000, 0.0000000000000000, 0.0010948600000000 ] - [ -0.0042775900000000, 0.0000000000000000, 0.0066834900000000 ] - [ 0.0003945800000000, 0.0000000000000000, -0.0001380400000000 ] - [ 0.0074078700000000, 0.0000000000000000, 0.0162079900000000 ] - [ 0.0016115200000000, -0.0001150900000000, -0.0011222100000000 ] - [ 0.0003186800000000, 0.0005709600000000, -0.0033767700000000 ] - [ 0.0008186300000000, -0.0006578700000000, 0.0011045200000000 ] - [ 0.0008767000000000, -0.0006004600000000, 0.0019842600000000 ] - [ 0.0016115200000000, 0.0001150900000000, -0.0011222100000000 ] - [ 0.0003186800000000, -0.0005709600000000, -0.0033767700000000 ] - [ 0.0008186300000000, 0.0006578700000000, 0.0011045200000000 ] - [ 0.0008767000000000, 0.0006004600000000, 0.0019842600000000 ] - [ 0.0002372500000000, 0.0000000000000000, 0.0003410700000000 ] - [ -0.0017515800000000, 0.0000000000000000, -0.0010281700000000 ] - [ -0.0000506200000000, 0.0000000000000000, 0.0010029600000000 ] - [ -0.0000626800000000, 0.0000000000000000, 0.0017590700000000 ] - [ 0.0005859300000000, 0.0000000000000000, -0.0012022100000000 ] - [ -0.0207267700000000, 0.0000000000000000, 0.0472416000000000 ] - [ 0.0001194500000000, 0.0000000000000000, 0.0002408000000000 ] - [ -0.0027293700000000, 0.0000000000000000, 0.0051322100000000 ] - [ 0.0001666400000000, -0.0005515500000000, -0.0008735600000000 ] - [ 0.0005946400000000, 0.0012267700000000, -0.0024410000000000 ] - [ 0.0001247000000000, -0.0007469200000000, 0.0005517000000000 ] - [ -0.0009747500000000, -0.0006500000000000, 0.0012788500000000 ] - [ 0.0001666400000000, 0.0005515500000000, -0.0008735600000000 ] - [ 0.0005946400000000, -0.0012267700000000, -0.0024410000000000 ] - [ 0.0001247000000000, 0.0007469200000000, 0.0005517000000000 ] - [ -0.0009747500000000, 0.0006500000000000, 0.0012788500000000 ]- atom: 77 displacement: [ 0.0015728055973509, 0.0000000000000000, -0.0098755396081906 ] forces: - [ 0.0013438900000000, 0.0029453200000000, -0.0054412800000000 ] - [ 0.0004715500000000, -0.0001885100000000, -0.0002921400000000 ] - [ -0.0001972500000000, -0.0000418000000000, 0.0022057000000000 ] - [ -0.0000366100000000, -0.0000656600000000, 0.0007144100000000 ] - [ 0.0013438900000000, -0.0029453200000000, -0.0054412800000000 ] - [ 0.0004715500000000, 0.0001885100000000, -0.0002921400000000 ] - [ -0.0001972500000000, 0.0000418000000000, 0.0022057000000000 ] - [ -0.0000366100000000, 0.0000656600000000, 0.0007144100000000 ] - [ 0.0003086100000000, 0.0000000000000000, -0.0014489900000000 ] - [ -0.0003672500000000, 0.0000000000000000, -0.0003944900000000 ] - [ -0.0006188600000000, 0.0000000000000000, 0.0012402500000000 ] - [ -0.0001448400000000, 0.0000000000000000, 0.0007125300000000 ] - [ 0.0033641900000000, 0.0000000000000000, -0.0017091100000000 ] - [ -0.0019880600000000, 0.0000000000000000, -0.0021524400000000 ] - [ -0.0003101800000000, 0.0000000000000000, 0.0005836100000000 ] - [ 0.0012209500000000, 0.0000000000000000, 0.0022976400000000 ] - [ 0.0013483900000000, -0.0002879100000000, 0.0002340000000000 ] - [ -0.0011113400000000, -0.0011356600000000, 0.0002287000000000 ] - [ -0.0003728700000000, 0.0000238000000000, -0.0002396500000000 ] - [ 0.0009561800000000, 0.0020147700000000, 0.0004819400000000 ] - [ 0.0013483900000000, 0.0002879100000000, 0.0002340000000000 ] - [ -0.0011113400000000, 0.0011356600000000, 0.0002287000000000 ] - [ -0.0003728700000000, -0.0000238000000000, -0.0002396500000000 ] - [ 0.0009561800000000, -0.0020147700000000, 0.0004819400000000 ] - [ -0.0028531200000000, 0.0000000000000000, 0.0021523800000000 ] - [ 0.0002932200000000, 0.0000000000000000, 0.0006011000000000 ] - [ 0.0005082200000000, 0.0000000000000000, -0.0004077000000000 ] - [ 0.0011518600000000, 0.0000000000000000, -0.0002943400000000 ] - [ -0.0009026000000000, 0.0000000000000000, -0.0015229300000000 ] - [ -0.0258030100000000, 0.0000000000000000, -0.0340643900000000 ] - [ 0.0005491300000000, 0.0000000000000000, 0.0019136600000000 ] - [ -0.0011237500000000, 0.0000000000000000, 0.0055247000000000 ] - [ -0.0006034400000000, 0.0000000000000000, -0.0049202800000000 ] - [ 0.0009136600000000, 0.0000000000000000, -0.0018927600000000 ] - [ -0.0012053400000000, 0.0000000000000000, 0.0015266200000000 ] - [ 0.0006355500000000, 0.0000000000000000, 0.0001318300000000 ] - [ 0.0111647900000000, 0.0000000000000000, -0.1716118900000000 ] - [ 0.0012195200000000, 0.0000000000000000, -0.0012642400000000 ] - [ -0.0006466600000000, 0.0000000000000000, 0.0052422800000000 ] - [ 0.0017155400000000, 0.0000000000000000, 0.0018107600000000 ] - [ -0.0025006300000000, 0.0072727700000000, 0.0085410900000000 ] - [ 0.0006431500000000, 0.0012265700000000, 0.0002027800000000 ] - [ -0.0040498600000000, -0.0016150600000000, 0.0042914000000000 ] - [ 0.0013946800000000, 0.0011917400000000, 0.0009712900000000 ] - [ -0.0025006300000000, -0.0072727700000000, 0.0085410900000000 ] - [ 0.0006431500000000, -0.0012265700000000, 0.0002027800000000 ] - [ -0.0040498600000000, 0.0016150600000000, 0.0042914000000000 ] - [ 0.0013946800000000, -0.0011917400000000, 0.0009712900000000 ] - [ -0.0004525400000000, 0.0020865700000000, -0.0023824000000000 ] - [ -0.0008561800000000, 0.0032154600000000, -0.0059619600000000 ] - [ -0.0005575600000000, 0.0005959900000000, 0.0007048500000000 ] - [ -0.0012230500000000, 0.0008081100000000, 0.0017184800000000 ] - [ -0.0004525400000000, -0.0020865700000000, -0.0023824000000000 ] - [ -0.0008561800000000, -0.0032154600000000, -0.0059619600000000 ] - [ -0.0005575600000000, -0.0005959900000000, 0.0007048500000000 ] - [ -0.0012230500000000, -0.0008081100000000, 0.0017184800000000 ] - [ -0.0004316700000000, 0.0000000000000000, -0.0007731800000000 ] - [ -0.0022765600000000, 0.0000000000000000, -0.0029801000000000 ] - [ -0.0008439500000000, 0.0000000000000000, 0.0006764900000000 ] - [ -0.0011224300000000, 0.0000000000000000, 0.0019189300000000 ] - [ 0.0006783000000000, 0.0000000000000000, 0.0002967800000000 ] - [ -0.0005520700000000, 0.0000000000000000, 0.0142570700000000 ] - [ -0.0001846100000000, 0.0000000000000000, 0.0013890800000000 ] - [ -0.0066006100000000, 0.0000000000000000, 0.0099930000000000 ] - [ 0.0006736200000000, -0.0024420300000000, -0.0045143600000000 ] - [ -0.0003146500000000, -0.0007650600000000, 0.0002359900000000 ] - [ 0.0043126300000000, 0.0036215000000000, -0.0061960600000000 ] - [ -0.0002986900000000, -0.0006844700000000, 0.0000359000000000 ] - [ 0.0006736200000000, 0.0024420300000000, -0.0045143600000000 ] - [ -0.0003146500000000, 0.0007650600000000, 0.0002359900000000 ] - [ 0.0043126300000000, -0.0036215000000000, -0.0061960600000000 ] - [ -0.0002986900000000, 0.0006844700000000, 0.0000359000000000 ] - [ 0.0008784300000000, 0.0000000000000000, 0.0038721400000000 ] - [ -0.0004186700000000, 0.0000000000000000, 0.0013729700000000 ] - [ 0.0006619000000000, 0.0000000000000000, -0.0017875400000000 ] - [ 0.0000096200000000, 0.0000000000000000, -0.0004658700000000 ] - [ 0.0326779000000000, 0.0000000000000000, 0.3242099900000000 ] - [ 0.0001747000000000, 0.0000000000000000, 0.0005834900000000 ] - [ 0.0002329500000000, 0.0000000000000000, -0.0050318300000000 ] - [ -0.0003024300000000, 0.0000000000000000, -0.0019363600000000 ] - [ -0.0138680800000000, -0.0207563200000000, -0.0296147100000000 ] - [ -0.0008150000000000, -0.0003295600000000, 0.0006041600000000 ] - [ 0.0006891000000000, -0.0005577400000000, -0.0032962500000000 ] - [ -0.0016165300000000, -0.0003928900000000, -0.0009216700000000 ] - [ -0.0138680800000000, 0.0207563200000000, -0.0296147100000000 ] - [ -0.0008150000000000, 0.0003295600000000, 0.0006041600000000 ] - [ 0.0006891000000000, 0.0005577400000000, -0.0032962500000000 ] - [ -0.0016165300000000, 0.0003928900000000, -0.0009216700000000 ] - [ -0.0007830800000000, 0.0000000000000000, 0.0014364300000000 ] - [ -0.0012565700000000, 0.0000000000000000, 0.0004048200000000 ] - [ 0.0009128700000000, 0.0000000000000000, -0.0026974500000000 ] - [ -0.0006911600000000, 0.0000000000000000, -0.0007972300000000 ] - [ -0.0008117700000000, 0.0057959500000000, -0.0032361600000000 ] - [ 0.0000465000000000, 0.0007537400000000, -0.0000979500000000 ] - [ 0.0013239200000000, -0.0011255300000000, -0.0004216300000000 ] - [ -0.0008415600000000, 0.0003428100000000, -0.0003269400000000 ] - [ -0.0008117700000000, -0.0057959500000000, -0.0032361600000000 ] - [ 0.0000465000000000, -0.0007537400000000, -0.0000979500000000 ] - [ 0.0013239200000000, 0.0011255300000000, -0.0004216300000000 ] - [ -0.0008415600000000, -0.0003428100000000, -0.0003269400000000 ] - [ 0.0007157100000000, -0.0011976800000000, 0.0017404000000000 ] - [ -0.0023974800000000, -0.0033022700000000, 0.0046896900000000 ] - [ -0.0002564100000000, -0.0003727100000000, -0.0009407400000000 ] - [ 0.0004675900000000, -0.0000611200000000, -0.0015683400000000 ] - [ 0.0007157100000000, 0.0011976800000000, 0.0017404000000000 ] - [ -0.0023974800000000, 0.0033022700000000, 0.0046896900000000 ] - [ -0.0002564100000000, 0.0003727100000000, -0.0009407400000000 ] - [ 0.0004675900000000, 0.0000611200000000, -0.0015683400000000 ] - [ -0.0006475500000000, 0.0000000000000000, -0.0006284600000000 ] - [ 0.0056860700000000, 0.0000000000000000, -0.0062709000000000 ] - [ 0.0009660500000000, 0.0000000000000000, 0.0006033300000000 ] - [ -0.0059591900000000, 0.0000000000000000, -0.0156203600000000 ] - [ 0.0002401900000000, -0.0005326500000000, 0.0013542200000000 ] - [ 0.0015512600000000, -0.0012401800000000, 0.0036439300000000 ] - [ 0.0010383900000000, 0.0000123800000000, -0.0008917900000000 ] - [ 0.0009841500000000, -0.0000452400000000, -0.0017740700000000 ] - [ 0.0002401900000000, 0.0005326500000000, 0.0013542200000000 ] - [ 0.0015512600000000, 0.0012401800000000, 0.0036439300000000 ] - [ 0.0010383900000000, -0.0000123800000000, -0.0008917900000000 ] - [ 0.0009841500000000, 0.0000452400000000, -0.0017740700000000 ] - [ -0.0006930200000000, 0.0000000000000000, 0.0007173100000000 ] - [ 0.0013218600000000, 0.0000000000000000, 0.0021121600000000 ] - [ -0.0004100500000000, 0.0000000000000000, 0.0000422600000000 ] - [ -0.0003932900000000, 0.0000000000000000, -0.0007210900000000 ] - [ -0.0007677100000000, 0.0000000000000000, 0.0003215400000000 ] - [ 0.0210415500000000, 0.0000000000000000, -0.0490544100000000 ] - [ -0.0002923200000000, 0.0000000000000000, -0.0011413900000000 ] - [ 0.0025718400000000, 0.0000000000000000, -0.0060427800000000 ] - [ -0.0003080200000000, -0.0006844400000000, 0.0005987100000000 ] - [ -0.0007238200000000, -0.0024956300000000, 0.0021646400000000 ] - [ -0.0002666100000000, -0.0004859100000000, -0.0008350000000000 ] - [ 0.0008429900000000, -0.0005846600000000, -0.0015654900000000 ] - [ -0.0003080200000000, 0.0006844400000000, 0.0005987100000000 ] - [ -0.0007238200000000, 0.0024956300000000, 0.0021646400000000 ] - [ -0.0002666100000000, 0.0004859100000000, -0.0008350000000000 ] - [ 0.0008429900000000, 0.0005846600000000, -0.0015654900000000 ]- atom: 81 displacement: [ 0.0099999999923824, 0.0000000000000000, -0.0000003903221875 ] forces: - [ 0.0026069200000000, -0.0001338600000000, 0.0020262200000000 ] - [ -0.0009236900000000, 0.0000207600000000, 0.0001530900000000 ] - [ 0.0008516900000000, 0.0007590200000000, 0.0009890700000000 ] - [ -0.0005196200000000, -0.0000618400000000, 0.0000195700000000 ] - [ 0.0010584400000000, -0.0001062800000000, 0.0005307000000000 ] - [ -0.0008043400000000, -0.0000017700000000, 0.0001531300000000 ] - [ 0.0004054900000000, -0.0003797100000000, 0.0003972300000000 ] - [ -0.0004844700000000, 0.0000657400000000, 0.0000270700000000 ] - [ 0.0002692500000000, -0.0021085600000000, 0.0004446700000000 ] - [ -0.0010884100000000, 0.0000325700000000, 0.0002132200000000 ] - [ -0.0000923800000000, -0.0000045100000000, 0.0001506900000000 ] - [ -0.0005932400000000, 0.0000066000000000, 0.0001228300000000 ] - [ 0.0073964500000000, -0.0030015300000000, -0.0002023500000000 ] - [ -0.0020728700000000, 0.0001359200000000, -0.0006781900000000 ] - [ 0.0006736100000000, 0.0000048900000000, -0.0000739600000000 ] - [ -0.0000077200000000, -0.0000125600000000, -0.0001928100000000 ] - [ 0.0000626700000000, 0.0002812500000000, -0.0004968100000000 ] - [ -0.0004336400000000, -0.0010203700000000, 0.0003337600000000 ] - [ 0.0001518400000000, -0.0000036500000000, 0.0000668400000000 ] - [ -0.0000063700000000, -0.0002179600000000, -0.0004460800000000 ] - [ -0.0015451900000000, -0.0012987700000000, -0.0021657000000000 ] - [ -0.0010596500000000, 0.0011521800000000, 0.0001716200000000 ] - [ 0.0000744200000000, -0.0000448700000000, 0.0002830800000000 ] - [ 0.0000229200000000, 0.0001933600000000, -0.0004435700000000 ] - [ 0.0040171200000000, -0.0019707100000000, -0.0001278600000000 ] - [ -0.0008660400000000, -0.0000025300000000, -0.0003539300000000 ] - [ 0.0008777300000000, -0.0001590900000000, 0.0004306300000000 ] - [ -0.0004072600000000, -0.0000303200000000, 0.0002698500000000 ] - [ -0.0020069200000000, 0.0015670900000000, 0.0013420100000000 ] - [ -0.0025071900000000, 0.0003425300000000, -0.0031487200000000 ] - [ 0.0001248900000000, 0.0000675300000000, -0.0022507100000000 ] - [ -0.0016337200000000, -0.0004601400000000, 0.0023388800000000 ] - [ 0.0021699500000000, 0.0001216400000000, -0.0010058900000000 ] - [ -0.0009671300000000, -0.0006519400000000, -0.0005105500000000 ] - [ 0.0017149900000000, 0.0003919700000000, -0.0007427400000000 ] - [ 0.0000267200000000, -0.0000926500000000, -0.0010566700000000 ] - [ 0.0602877400000000, 0.0126179600000000, -0.0025859600000000 ] - [ -0.0011528500000000, 0.0000583000000000, 0.0003006600000000 ] - [ 0.0015330800000000, 0.0000913400000000, 0.0014053600000000 ] - [ 0.0006235500000000, 0.0000091400000000, -0.0002775400000000 ] - [ 0.0701646800000000, -0.0108727600000000, -0.0479059800000000 ] - [ -0.0004696800000000, 0.0007894300000000, 0.0009037200000000 ] - [ 0.0011754300000000, 0.0017865900000000, 0.0009014100000000 ] - [ 0.0002775400000000, 0.0009784100000000, 0.0006360000000000 ] - [ 0.0045360900000000, -0.0027457900000000, -0.0029449600000000 ] - [ -0.0003295400000000, -0.0008570100000000, 0.0009518800000000 ] - [ 0.0012178300000000, -0.0017375800000000, 0.0006754600000000 ] - [ 0.0003113700000000, -0.0009975200000000, 0.0006114000000000 ] - [ -0.0011623700000000, 0.0016075500000000, -0.0001811200000000 ] - [ -0.0003968400000000, -0.0000520200000000, -0.0012116400000000 ] - [ -0.0006115900000000, 0.0012873200000000, -0.0008705200000000 ] - [ -0.0006386400000000, 0.0007841900000000, -0.0003545200000000 ] - [ -0.0028272800000000, -0.0027014800000000, 0.0009508500000000 ] - [ -0.0009594700000000, -0.0001316100000000, -0.0019880200000000 ] - [ -0.0005792900000000, -0.0012378200000000, -0.0009815200000000 ] - [ -0.0008341700000000, -0.0008651800000000, -0.0001283100000000 ] - [ -0.0024986300000000, -0.0017479900000000, -0.0013260600000000 ] - [ 0.0000127500000000, 0.0006857400000000, 0.0007516400000000 ] - [ -0.0010660700000000, -0.0000250900000000, -0.0002300200000000 ] - [ -0.0007928300000000, 0.0000518700000000, -0.0000804900000000 ] - [ -0.0026502000000000, 0.0001436100000000, 0.0004316900000000 ] - [ -0.0003819900000000, -0.0056543700000000, 0.0114823200000000 ] - [ -0.0012205900000000, 0.0000003200000000, 0.0010019000000000 ] - [ 0.0004522400000000, 0.0001733100000000, 0.0005745100000000 ] - [ 0.0019004600000000, -0.0004906500000000, -0.0302599400000000 ] - [ 0.0012813300000000, -0.0000616700000000, 0.0001377500000000 ] - [ -0.0005596400000000, -0.0010339400000000, 0.0001499300000000 ] - [ 0.0005394000000000, -0.0004695800000000, 0.0000158000000000 ] - [ -0.0036982900000000, 0.0042268200000000, -0.0004282300000000 ] - [ 0.0013083100000000, -0.0000893200000000, 0.0001081400000000 ] - [ -0.0005069900000000, 0.0009391800000000, 0.0003980900000000 ] - [ 0.0005189800000000, 0.0004348100000000, 0.0000518800000000 ] - [ -0.0011308200000000, -0.0005936800000000, 0.0003800200000000 ] - [ 0.0012992400000000, 0.0004663800000000, 0.0003442700000000 ] - [ -0.0003354600000000, -0.0000642800000000, 0.0004425900000000 ] - [ 0.0002438600000000, 0.0000232700000000, 0.0006144300000000 ] - [ -0.0013578100000000, 0.0085667100000000, 0.0121899000000000 ] - [ 0.0013370800000000, -0.0002175800000000, -0.0004652100000000 ] - [ 0.0000618100000000, 0.0003064000000000, -0.0021909800000000 ] - [ 0.0006357300000000, 0.0000005400000000, 0.0002342600000000 ] - [ -0.1552646300000000, -0.0373026200000000, 0.0578016600000000 ] - [ 0.0002842100000000, -0.0001358900000000, -0.0001212100000000 ] - [ -0.0013123500000000, -0.0006452600000000, -0.0005383400000000 ] - [ -0.0006023800000000, -0.0002038100000000, -0.0000059300000000 ] - [ -0.0115113900000000, -0.0053870700000000, 0.0011233300000000 ] - [ 0.0003257100000000, 0.0000666300000000, -0.0001119300000000 ] - [ -0.0013579200000000, 0.0006016200000000, -0.0004206700000000 ] - [ -0.0006169200000000, 0.0002027000000000, 0.0000094600000000 ] - [ -0.0018795500000000, 0.0003600400000000, -0.0004688100000000 ] - [ 0.0003574800000000, 0.0001111100000000, -0.0004984600000000 ] - [ -0.0021249800000000, 0.0002674400000000, 0.0008483700000000 ] - [ -0.0002946700000000, 0.0000085900000000, -0.0000324300000000 ] - [ -0.0011979500000000, 0.0021739200000000, 0.0003787600000000 ] - [ 0.0006978300000000, 0.0005925700000000, -0.0001114800000000 ] - [ -0.0005681100000000, 0.0009238800000000, -0.0003668200000000 ] - [ 0.0002715000000000, 0.0006287900000000, -0.0000703400000000 ] - [ -0.0124506800000000, 0.0124237900000000, 0.0130979100000000 ] - [ 0.0007436400000000, -0.0005592000000000, -0.0000925900000000 ] - [ -0.0006524400000000, -0.0008106700000000, -0.0005007000000000 ] - [ 0.0002830800000000, -0.0006171700000000, -0.0000725000000000 ] - [ 0.0003129600000000, -0.0014771100000000, -0.0005142000000000 ] - [ 0.0009421800000000, 0.0003129000000000, 0.0010428700000000 ] - [ -0.0002546300000000, -0.0008398600000000, 0.0004988100000000 ] - [ 0.0006001200000000, -0.0000409400000000, -0.0002757900000000 ] - [ 0.0029485000000000, 0.0005189300000000, -0.0024976300000000 ] - [ 0.0008655000000000, -0.0000625800000000, 0.0009619400000000 ] - [ -0.0003359600000000, 0.0007580000000000, 0.0005535000000000 ] - [ 0.0006795700000000, 0.0001209900000000, -0.0003339200000000 ] - [ 0.0025177300000000, -0.0007883500000000, 0.0023113400000000 ] - [ 0.0033211400000000, 0.0003791500000000, -0.0029694400000000 ] - [ 0.0012480100000000, -0.0002296900000000, -0.0006051700000000 ] - [ 0.0005769200000000, -0.0000832300000000, 0.0011826600000000 ] - [ 0.0011470000000000, 0.0000155700000000, 0.0000277900000000 ] - [ 0.0008930200000000, 0.0004421600000000, 0.0000751300000000 ] - [ 0.0008596900000000, -0.0003936500000000, 0.0002652300000000 ] - [ 0.0009598000000000, -0.0001282900000000, -0.0001030700000000 ] - [ 0.0030579400000000, 0.0023807300000000, -0.0001010400000000 ] - [ 0.0013475500000000, -0.0007262400000000, 0.0004024100000000 ] - [ 0.0008532100000000, 0.0004223700000000, 0.0002912300000000 ] - [ 0.0009872700000000, 0.0000706200000000, -0.0002443200000000 ] - [ 0.0005779400000000, 0.0003382400000000, 0.0013397100000000 ] - [ -0.0016360000000000, 0.0000306500000000, -0.0003327500000000 ] - [ -0.0000367300000000, 0.0000327400000000, 0.0004460100000000 ] - [ -0.0004887700000000, 0.0000048700000000, 0.0004342900000000 ] - [ 0.0021207900000000, -0.0002884500000000, -0.0004455100000000 ] - [ 0.0346726300000000, 0.0292064100000000, -0.0074634600000000 ] - [ 0.0001914000000000, -0.0000038300000000, -0.0005079800000000 ] - [ -0.0003050900000000, -0.0000414200000000, -0.0006670400000000 ] - [ 0.0005152900000000, -0.0007172000000000, -0.0004404600000000 ] - [ -0.0007409000000000, -0.0000226600000000, 0.0001318200000000 ] - [ -0.0000073900000000, -0.0006480400000000, 0.0001039300000000 ] - [ -0.0003064500000000, -0.0003461300000000, -0.0002789100000000 ] - [ 0.0015249100000000, 0.0017527900000000, -0.0009838800000000 ] - [ -0.0007630100000000, -0.0001119500000000, 0.0003666900000000 ] - [ 0.0000428100000000, 0.0006994100000000, 0.0002254300000000 ] - [ -0.0000611200000000, 0.0000020100000000, -0.0005459600000000 ]- atom: 81 displacement: [ -0.0099999999923824, 0.0000000000000000, 0.0000003903221875 ] forces: - [ -0.0027808100000000, 0.0000352500000000, -0.0016616800000000 ] - [ 0.0007549200000000, -0.0001267600000000, 0.0002255700000000 ] - [ -0.0010245200000000, -0.0008623900000000, -0.0006252900000000 ] - [ 0.0003490000000000, -0.0000428900000000, 0.0003620400000000 ] - [ -0.0012356000000000, 0.0002110800000000, -0.0001552800000000 ] - [ 0.0006357000000000, 0.0001084100000000, 0.0002157600000000 ] - [ -0.0005773900000000, 0.0004849300000000, -0.0000321100000000 ] - [ 0.0003148800000000, 0.0000400900000000, 0.0003447500000000 ] - [ -0.0009310600000000, 0.0021231900000000, -0.0000964200000000 ] - [ 0.0004441100000000, -0.0000326600000000, 0.0001232100000000 ] - [ -0.0005570100000000, 0.0000044100000000, 0.0001807300000000 ] - [ -0.0000527100000000, -0.0000066200000000, 0.0002116900000000 ] - [ -0.0072458900000000, 0.0033674900000000, -0.0000590800000000 ] - [ 0.0027242400000000, -0.0001347600000000, 0.0003442500000000 ] - [ -0.0000278100000000, -0.0000049600000000, -0.0002632500000000 ] - [ 0.0006558900000000, 0.0000124600000000, -0.0001431800000000 ] - [ 0.0001004400000000, -0.0003945900000000, 0.0001287900000000 ] - [ 0.0006076300000000, 0.0009085700000000, -0.0006990800000000 ] - [ 0.0000178000000000, -0.0001043700000000, -0.0004386800000000 ] - [ 0.0001775100000000, 0.0001106600000000, 0.0000754900000000 ] - [ 0.0017158600000000, 0.0014265600000000, 0.0018083100000000 ] - [ 0.0012440500000000, -0.0010480000000000, -0.0005479700000000 ] - [ 0.0000967000000000, 0.0001517700000000, -0.0006664400000000 ] - [ 0.0001490100000000, -0.0000876700000000, 0.0000628900000000 ] - [ -0.0034203400000000, 0.0019132600000000, 0.0002747900000000 ] - [ 0.0014187200000000, 0.0000023400000000, 0.0005303100000000 ] - [ -0.0003306300000000, 0.0001605900000000, -0.0002694500000000 ] - [ 0.0009579200000000, 0.0000312000000000, -0.0001071400000000 ] - [ 0.0014589600000000, -0.0015790400000000, -0.0015224400000000 ] - [ 0.0019708800000000, -0.0003470900000000, 0.0029860500000000 ] - [ -0.0006877100000000, -0.0000669100000000, 0.0020993900000000 ] - [ 0.0010908000000000, 0.0004600800000000, -0.0025141800000000 ] - [ -0.0013573900000000, -0.0001169400000000, -0.0006526600000000 ] - [ 0.0017875400000000, 0.0006567400000000, -0.0011645200000000 ] - [ -0.0008896500000000, -0.0003938500000000, -0.0009371300000000 ] - [ 0.0007852900000000, 0.0000913700000000, -0.0006168100000000 ] - [ -0.0574676200000000, -0.0107236900000000, 0.0038425000000000 ] - [ 0.0031772700000000, -0.0000583900000000, 0.0001346800000000 ] - [ 0.0004767600000000, -0.0000915500000000, -0.0009725400000000 ] - [ 0.0013884000000000, -0.0000094000000000, 0.0007178100000000 ] - [ -0.0698022600000000, 0.0135346500000000, 0.0495618000000000 ] - [ 0.0018329500000000, 0.0016345500000000, 0.0003038300000000 ] - [ 0.0001798500000000, 0.0006311200000000, 0.0002993200000000 ] - [ 0.0010806000000000, 0.0014413700000000, 0.0005677600000000 ] - [ -0.0031632100000000, 0.0003310600000000, 0.0040966900000000 ] - [ 0.0016908500000000, -0.0015665900000000, 0.0002559500000000 ] - [ 0.0001379700000000, -0.0006813400000000, 0.0005267100000000 ] - [ 0.0010468700000000, -0.0014224800000000, 0.0005924500000000 ] - [ -0.0001936400000000, 0.0008061800000000, -0.0010231800000000 ] - [ -0.0009578700000000, 0.0024659900000000, 0.0000078200000000 ] - [ -0.0007477100000000, 0.0011304000000000, -0.0003355400000000 ] - [ -0.0007139600000000, 0.0016322700000000, -0.0008536200000000 ] - [ 0.0014871400000000, 0.0002932700000000, -0.0021706200000000 ] - [ -0.0004019700000000, -0.0022837000000000, 0.0007833000000000 ] - [ -0.0007809100000000, -0.0011814200000000, -0.0002271400000000 ] - [ -0.0005155500000000, -0.0015496000000000, -0.0010818000000000 ] - [ 0.0004923800000000, 0.0017634500000000, 0.0009008100000000 ] - [ -0.0020108700000000, -0.0006843300000000, -0.0011714400000000 ] - [ -0.0009476600000000, 0.0000244400000000, -0.0002112900000000 ] - [ -0.0012152100000000, -0.0000524300000000, -0.0003618300000000 ] - [ 0.0018488500000000, -0.0001460600000000, 0.0012506400000000 ] - [ -0.0003443500000000, 0.0057343900000000, -0.0097713800000000 ] - [ 0.0004102900000000, -0.0000004800000000, 0.0006687600000000 ] - [ -0.0012679400000000, -0.0001742500000000, 0.0010957700000000 ] - [ -0.0018725200000000, -0.0006857400000000, 0.0301963600000000 ] - [ -0.0011537100000000, -0.0011758100000000, 0.0001362500000000 ] - [ 0.0006934900000000, -0.0001983100000000, 0.0001253900000000 ] - [ -0.0004060900000000, -0.0007649000000000, 0.0002588800000000 ] - [ 0.0038111000000000, -0.0030000900000000, 0.0006981500000000 ] - [ -0.0011801600000000, 0.0013281200000000, 0.0001641100000000 ] - [ 0.0006398100000000, 0.0002933300000000, -0.0001226500000000 ] - [ -0.0003858600000000, 0.0007990900000000, 0.0002236300000000 ] - [ 0.0013013000000000, 0.0005936800000000, 0.0004986900000000 ] - [ -0.0011287400000000, -0.0004705500000000, 0.0005461600000000 ] - [ 0.0005079700000000, 0.0000644900000000, 0.0004568300000000 ] - [ -0.0000673600000000, -0.0000230500000000, 0.0002796800000000 ] - [ 0.0017613600000000, -0.0085152700000000, -0.0132270000000000 ] - [ -0.0008856900000000, 0.0002190500000000, -0.0005872500000000 ] - [ 0.0003942000000000, -0.0003066100000000, 0.0011415400000000 ] - [ -0.0001807700000000, -0.0000010100000000, -0.0012927600000000 ] - [ 0.1533484500000000, 0.0335951700000000, -0.0589761300000000 ] - [ -0.0021486200000000, -0.0005143300000000, -0.0001022200000000 ] - [ -0.0005484300000000, 0.0000021500000000, 0.0003195800000000 ] - [ -0.0012579200000000, -0.0004409500000000, -0.0002149400000000 ] - [ 0.0096569900000000, 0.0058002400000000, -0.0013638300000000 ] - [ -0.0021892700000000, 0.0005831600000000, -0.0001114300000000 ] - [ -0.0005024900000000, 0.0000414100000000, 0.0002012400000000 ] - [ -0.0012433000000000, 0.0004420300000000, -0.0002302000000000 ] - [ 0.0005132800000000, -0.0003642700000000, 0.0000031200000000 ] - [ -0.0017284200000000, -0.0001125100000000, 0.0000389200000000 ] - [ 0.0007464500000000, -0.0002648900000000, -0.0012916900000000 ] - [ -0.0010742100000000, -0.0000087800000000, -0.0004212600000000 ] - [ 0.0009229200000000, -0.0008992600000000, -0.0006754200000000 ] - [ -0.0009782700000000, 0.0006884100000000, -0.0002024600000000 ] - [ 0.0002805500000000, 0.0003461200000000, 0.0000589500000000 ] - [ -0.0005559400000000, 0.0006429300000000, -0.0002381600000000 ] - [ 0.0123295600000000, -0.0136317600000000, -0.0132852700000000 ] - [ -0.0010246900000000, -0.0007216000000000, -0.0002215700000000 ] - [ 0.0003659000000000, -0.0004601800000000, 0.0001935300000000 ] - [ -0.0005677600000000, -0.0006555800000000, -0.0002364400000000 ] - [ -0.0000283600000000, 0.0002164800000000, 0.0008262700000000 ] - [ -0.0006586100000000, -0.0015835500000000, -0.0007318800000000 ] - [ 0.0005423800000000, -0.0004302400000000, -0.0001907000000000 ] - [ -0.0003183600000000, -0.0012292100000000, 0.0005864100000000 ] - [ -0.0026853300000000, 0.0007514700000000, 0.0028308300000000 ] - [ -0.0005810400000000, 0.0013341100000000, -0.0006517100000000 ] - [ 0.0006254800000000, 0.0005100200000000, -0.0002430800000000 ] - [ -0.0003986600000000, 0.0011465200000000, 0.0006434000000000 ] - [ -0.0011638700000000, 0.0007975500000000, -0.0018708800000000 ] - [ -0.0019683000000000, -0.0003959100000000, 0.0034262100000000 ] - [ 0.0001141200000000, 0.0002314800000000, 0.0010746400000000 ] - [ 0.0007892600000000, 0.0000831200000000, -0.0007189500000000 ] - [ 0.0007138000000000, -0.0006630700000000, 0.0001905000000000 ] - [ 0.0009638800000000, -0.0010785000000000, 0.0001393600000000 ] - [ 0.0010005300000000, -0.0002512600000000, -0.0000431500000000 ] - [ 0.0008992500000000, -0.0005154700000000, 0.0003263900000000 ] - [ -0.0012201400000000, -0.0017600000000000, 0.0003233000000000 ] - [ 0.0005131600000000, 0.0013622400000000, -0.0001875500000000 ] - [ 0.0010071500000000, 0.0002230900000000, -0.0000678200000000 ] - [ 0.0008704100000000, 0.0005723900000000, 0.0004699700000000 ] - [ -0.0010411800000000, -0.0003406000000000, -0.0003035100000000 ] - [ 0.0011592500000000, -0.0000240900000000, 0.0013651900000000 ] - [ -0.0004202800000000, -0.0000328300000000, 0.0006077300000000 ] - [ 0.0000333700000000, -0.0000050600000000, 0.0006225600000000 ] - [ -0.0023148400000000, 0.0002911700000000, -0.0004486600000000 ] - [ -0.0341409000000000, -0.0286126300000000, 0.0064210700000000 ] - [ -0.0003683300000000, 0.0000035500000000, -0.0003824800000000 ] - [ 0.0001271200000000, 0.0000414000000000, -0.0002225600000000 ] - [ -0.0006516600000000, -0.0005160800000000, 0.0001673400000000 ] - [ 0.0006047400000000, -0.0012072600000000, -0.0004099700000000 ] - [ -0.0001263600000000, -0.0005834400000000, -0.0003790500000000 ] - [ 0.0001663300000000, -0.0008830500000000, 0.0000079800000000 ] - [ -0.0016692200000000, -0.0005267700000000, 0.0007156900000000 ] - [ 0.0006293100000000, 0.0013390600000000, -0.0006406200000000 ] - [ -0.0001752100000000, 0.0005336600000000, -0.0004984700000000 ] - [ -0.0000808300000000, 0.0012294400000000, 0.0002784400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003010600000000, 0.0028558300000000, 0.0014192100000000 ] - [ -0.0003642000000000, 0.0001290500000000, 0.0001623900000000 ] - [ 0.0006492600000000, 0.0006952400000000, -0.0015472700000000 ] - [ -0.0002405200000000, 0.0000630500000000, 0.0001572700000000 ] - [ 0.0006056500000000, -0.0015211900000000, -0.0016759100000000 ] - [ -0.0004149300000000, -0.0000930000000000, 0.0001176800000000 ] - [ -0.0000138800000000, -0.0003889700000000, 0.0005609500000000 ] - [ -0.0001591800000000, -0.0000313000000000, 0.0001859100000000 ] - [ -0.0015098100000000, -0.0051786600000000, 0.0016060200000000 ] - [ -0.0003290300000000, -0.0001316500000000, 0.0003577400000000 ] - [ -0.0003413300000000, -0.0001071800000000, -0.0003701800000000 ] - [ -0.0003464800000000, -0.0000220400000000, 0.0000234300000000 ] - [ -0.0033259500000000, 0.0059455300000000, 0.0007967900000000 ] - [ -0.0010113200000000, 0.0003114400000000, -0.0000696500000000 ] - [ 0.0004151900000000, 0.0001411100000000, -0.0004234300000000 ] - [ 0.0002030100000000, 0.0000192300000000, -0.0004984000000000 ] - [ 0.0005105200000000, -0.0008799600000000, 0.0003255300000000 ] - [ -0.0002601000000000, -0.0010099500000000, 0.0002931900000000 ] - [ 0.0001498800000000, -0.0001630000000000, -0.0003776900000000 ] - [ 0.0000387100000000, -0.0004448400000000, -0.0005640400000000 ] - [ -0.0029259600000000, 0.0007666500000000, -0.0007769900000000 ] - [ 0.0009788300000000, 0.0005899000000000, -0.0000611300000000 ] - [ 0.0000934100000000, 0.0001398000000000, -0.0002883700000000 ] - [ 0.0000894000000000, 0.0004326600000000, -0.0003755000000000 ] - [ 0.0071544900000000, -0.0136009500000000, -0.0015056400000000 ] - [ -0.0003296500000000, -0.0001428900000000, 0.0001327000000000 ] - [ 0.0002069400000000, -0.0002335400000000, 0.0003545700000000 ] - [ -0.0000348900000000, -0.0000841000000000, -0.0001250100000000 ] - [ 0.0002154500000000, 0.0009192900000000, -0.0005025200000000 ] - [ -0.0058556300000000, 0.0015021600000000, -0.0033377500000000 ] - [ -0.0009566100000000, 0.0009724000000000, 0.0004278200000000 ] - [ -0.0002055200000000, 0.0002876300000000, 0.0007232900000000 ] - [ 0.0016235800000000, -0.0016097600000000, 0.0020648800000000 ] - [ 0.0002201500000000, -0.0005431500000000, -0.0004124600000000 ] - [ 0.0029947500000000, 0.0000157900000000, -0.0018272300000000 ] - [ -0.0001107200000000, -0.0006236200000000, -0.0011758100000000 ] - [ 0.0168182100000000, 0.0562785900000000, -0.0013243900000000 ] - [ 0.0010484000000000, 0.0001592800000000, 0.0002277200000000 ] - [ 0.0013696000000000, 0.0001409400000000, -0.0002831400000000 ] - [ 0.0007987500000000, 0.0000631200000000, -0.0001041900000000 ] - [ -0.0136648700000000, 0.0879584700000000, 0.0744327100000000 ] - [ 0.0004785600000000, 0.0016613400000000, 0.0011017500000000 ] - [ 0.0013563100000000, 0.0016889900000000, -0.0000222700000000 ] - [ 0.0005858400000000, 0.0012260100000000, 0.0003555200000000 ] - [ -0.0014520500000000, -0.0094759000000000, 0.0198014600000000 ] - [ 0.0006069800000000, -0.0016836400000000, 0.0011106000000000 ] - [ 0.0014525400000000, -0.0017546000000000, -0.0001632300000000 ] - [ 0.0005962500000000, -0.0012035400000000, 0.0003240000000000 ] - [ -0.0000198600000000, -0.0000809100000000, -0.0001893300000000 ] - [ -0.0005499900000000, -0.0014429200000000, -0.0001309700000000 ] - [ -0.0006056400000000, 0.0008609900000000, -0.0007303200000000 ] - [ -0.0002651800000000, 0.0007741500000000, -0.0009182600000000 ] - [ -0.0013391400000000, 0.0002032000000000, 0.0015539700000000 ] - [ 0.0008526400000000, 0.0013418100000000, 0.0008826200000000 ] - [ -0.0010074500000000, -0.0015045600000000, -0.0016831200000000 ] - [ -0.0000050400000000, -0.0006281000000000, -0.0011087500000000 ] - [ -0.0016498800000000, -0.0018998000000000, 0.0001095200000000 ] - [ 0.0019746700000000, -0.0017072000000000, 0.0015231000000000 ] - [ -0.0012396800000000, -0.0003110600000000, -0.0007233000000000 ] - [ -0.0005039700000000, -0.0001053400000000, -0.0006996600000000 ] - [ -0.0002973300000000, 0.0002370300000000, 0.0012893800000000 ] - [ 0.0017811200000000, 0.0080175300000000, 0.0118936300000000 ] - [ -0.0003699100000000, 0.0000454800000000, 0.0004882300000000 ] - [ 0.0006999100000000, 0.0002795300000000, -0.0005119200000000 ] - [ -0.0032502200000000, -0.0187178000000000, 0.0034191800000000 ] - [ 0.0001569600000000, -0.0009592600000000, -0.0000861200000000 ] - [ -0.0006075600000000, -0.0012833900000000, 0.0008227300000000 ] - [ 0.0001274000000000, -0.0006756500000000, 0.0003014000000000 ] - [ 0.0020456900000000, -0.0008443800000000, -0.0048639000000000 ] - [ 0.0001204300000000, 0.0007085400000000, -0.0000869700000000 ] - [ -0.0005408900000000, 0.0010699900000000, 0.0010992100000000 ] - [ 0.0001452600000000, 0.0006012900000000, 0.0003438800000000 ] - [ -0.0019961400000000, 0.0039923900000000, -0.0015640300000000 ] - [ 0.0005623400000000, 0.0004880500000000, 0.0000031100000000 ] - [ -0.0007308900000000, 0.0000368000000000, 0.0014336100000000 ] - [ 0.0002531400000000, 0.0001787200000000, 0.0007910900000000 ] - [ 0.0126326200000000, 0.0052325700000000, 0.0220483100000000 ] - [ 0.0002890500000000, -0.0001717900000000, -0.0005150200000000 ] - [ -0.0001657200000000, -0.0003328700000000, -0.0003502400000000 ] - [ 0.0004381400000000, -0.0001240400000000, -0.0004272000000000 ] - [ -0.0382172900000000, -0.2358944500000000, -0.1412011600000000 ] - [ -0.0007434200000000, -0.0007050500000000, -0.0004632000000000 ] - [ -0.0012567000000000, -0.0004871500000000, 0.0003565300000000 ] - [ -0.0008137700000000, -0.0003250200000000, 0.0001064100000000 ] - [ 0.0046979000000000, 0.0574988200000000, -0.0072933200000000 ] - [ -0.0006741000000000, 0.0005495500000000, -0.0004299400000000 ] - [ -0.0012129700000000, 0.0003194700000000, 0.0003792000000000 ] - [ -0.0008126500000000, 0.0002651800000000, 0.0001319200000000 ] - [ -0.0008184500000000, 0.0009962700000000, -0.0011997600000000 ] - [ -0.0004725800000000, 0.0001295200000000, -0.0002869200000000 ] - [ -0.0032924900000000, 0.0021035200000000, 0.0025353600000000 ] - [ -0.0003855600000000, 0.0001223500000000, -0.0002479300000000 ] - [ -0.0020370400000000, 0.0112594300000000, -0.0062360400000000 ] - [ -0.0000213100000000, 0.0010675500000000, -0.0003452400000000 ] - [ -0.0002771000000000, 0.0011265000000000, -0.0000237300000000 ] - [ 0.0000413700000000, 0.0007505800000000, 0.0000427500000000 ] - [ 0.0021465200000000, 0.0356581600000000, 0.0408108300000000 ] - [ -0.0001340800000000, -0.0009386100000000, -0.0003114500000000 ] - [ -0.0003480700000000, -0.0009338200000000, -0.0001026500000000 ] - [ -0.0000153300000000, -0.0007050400000000, -0.0000003000000000 ] - [ -0.0011437100000000, -0.0001486100000000, 0.0005505200000000 ] - [ 0.0015028300000000, 0.0013980300000000, 0.0003634000000000 ] - [ 0.0000406500000000, -0.0006366800000000, -0.0000073500000000 ] - [ 0.0000738200000000, -0.0002511100000000, 0.0000344700000000 ] - [ -0.0000806900000000, -0.0011497600000000, -0.0002937900000000 ] - [ 0.0009529200000000, -0.0016880100000000, 0.0000668900000000 ] - [ 0.0009656000000000, -0.0000345100000000, 0.0009244400000000 ] - [ 0.0000579200000000, 0.0001034400000000, 0.0000233300000000 ] - [ 0.0004354100000000, -0.0007498900000000, -0.0006193400000000 ] - [ 0.0010833100000000, -0.0013934800000000, -0.0021453400000000 ] - [ 0.0005674400000000, -0.0001527900000000, 0.0004757600000000 ] - [ 0.0009116400000000, -0.0002357900000000, 0.0022865300000000 ] - [ 0.0005890000000000, 0.0010108000000000, -0.0004165500000000 ] - [ 0.0001757300000000, 0.0017666900000000, -0.0010480400000000 ] - [ 0.0010040600000000, -0.0001629000000000, 0.0002951600000000 ] - [ 0.0007395800000000, -0.0001493900000000, 0.0003170400000000 ] - [ 0.0030018700000000, 0.0008622600000000, -0.0011136400000000 ] - [ -0.0001085800000000, -0.0003079300000000, -0.0012072000000000 ] - [ 0.0010327800000000, 0.0006579400000000, 0.0007204300000000 ] - [ 0.0006814000000000, 0.0002067600000000, 0.0004442400000000 ] - [ 0.0005261600000000, 0.0005444700000000, 0.0004346700000000 ] - [ -0.0026886400000000, 0.0019588800000000, -0.0007856200000000 ] - [ -0.0000681800000000, 0.0000823000000000, 0.0008913900000000 ] - [ -0.0003847500000000, 0.0000702700000000, 0.0007873100000000 ] - [ -0.0004950600000000, -0.0002441500000000, -0.0007765300000000 ] - [ 0.0244767900000000, 0.0067713400000000, -0.0077178500000000 ] - [ -0.0000026600000000, -0.0000645500000000, -0.0001226600000000 ] - [ -0.0005720500000000, -0.0000820200000000, 0.0003776500000000 ] - [ -0.0004459200000000, -0.0000198800000000, -0.0001432300000000 ] - [ -0.0008106300000000, 0.0012784800000000, -0.0006643600000000 ] - [ -0.0000204300000000, -0.0002983600000000, -0.0000076500000000 ] - [ -0.0008819300000000, 0.0001162200000000, 0.0000355000000000 ] - [ 0.0003154000000000, 0.0006359900000000, -0.0007792700000000 ] - [ -0.0010228600000000, 0.0000639500000000, -0.0008196300000000 ] - [ 0.0005832000000000, 0.0008597300000000, 0.0004339200000000 ] - [ -0.0009882000000000, 0.0002094300000000, 0.0003192800000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004605800000000, -0.0029492200000000, -0.0010377200000000 ] - [ 0.0001910900000000, -0.0002383900000000, 0.0002142100000000 ] - [ -0.0008264200000000, -0.0008145900000000, 0.0019059000000000 ] - [ 0.0000707100000000, -0.0001727100000000, 0.0002177400000000 ] - [ -0.0007716900000000, 0.0016273000000000, 0.0020284700000000 ] - [ 0.0002438800000000, 0.0002026800000000, 0.0002490400000000 ] - [ -0.0001573700000000, 0.0005034000000000, -0.0001930200000000 ] - [ -0.0000098300000000, 0.0001412700000000, 0.0001793700000000 ] - [ 0.0008782100000000, 0.0051750000000000, -0.0012671300000000 ] - [ -0.0003194100000000, 0.0001310500000000, -0.0000203100000000 ] - [ -0.0003044300000000, 0.0001061400000000, 0.0007060800000000 ] - [ -0.0002994300000000, 0.0000214500000000, 0.0003111300000000 ] - [ 0.0037913200000000, -0.0058565400000000, -0.0010940000000000 ] - [ 0.0016618000000000, -0.0003131400000000, -0.0002592000000000 ] - [ 0.0002308600000000, -0.0001409700000000, 0.0000860200000000 ] - [ 0.0004423400000000, -0.0000194800000000, 0.0001589300000000 ] - [ -0.0003338400000000, 0.0007713900000000, -0.0006884100000000 ] - [ 0.0004266500000000, 0.0009029600000000, -0.0006578800000000 ] - [ 0.0000200800000000, 0.0000526000000000, 0.0000108500000000 ] - [ 0.0001293800000000, 0.0003330800000000, 0.0001946600000000 ] - [ 0.0030836700000000, -0.0006725200000000, 0.0003901900000000 ] - [ -0.0007960800000000, -0.0004918400000000, -0.0003084100000000 ] - [ 0.0000768700000000, -0.0000322500000000, -0.0000867700000000 ] - [ 0.0000803300000000, -0.0003234300000000, -0.0000034700000000 ] - [ -0.0066224800000000, 0.0135567500000000, 0.0016723700000000 ] - [ 0.0008796800000000, 0.0001419900000000, 0.0000420100000000 ] - [ 0.0003463600000000, 0.0002316000000000, -0.0001971400000000 ] - [ 0.0005867800000000, 0.0000839400000000, 0.0002928300000000 ] - [ -0.0007717500000000, -0.0009071800000000, 0.0003359000000000 ] - [ 0.0052934300000000, -0.0015031000000000, 0.0031755200000000 ] - [ 0.0003981700000000, -0.0009695700000000, -0.0006067600000000 ] - [ -0.0003310600000000, -0.0002811700000000, -0.0009088600000000 ] - [ -0.0008109900000000, 0.0016079200000000, -0.0037624800000000 ] - [ 0.0005904000000000, 0.0005376600000000, -0.0012688300000000 ] - [ -0.0021924300000000, -0.0000228000000000, 0.0001460800000000 ] - [ 0.0009268400000000, 0.0006217000000000, -0.0005061100000000 ] - [ -0.0116273000000000, -0.0521644100000000, 0.0035719800000000 ] - [ 0.0009661200000000, -0.0001594200000000, 0.0002087200000000 ] - [ 0.0006483700000000, -0.0001408300000000, 0.0007032400000000 ] - [ 0.0012181600000000, -0.0000633900000000, 0.0005346900000000 ] - [ 0.0157057500000000, -0.0856910800000000, -0.0755977400000000 ] - [ 0.0008802900000000, 0.0007588400000000, 0.0001104200000000 ] - [ 0.0000068600000000, 0.0007320200000000, 0.0012259100000000 ] - [ 0.0007726500000000, 0.0011937300000000, 0.0008524600000000 ] - [ 0.0027770700000000, 0.0070608200000000, -0.0184419800000000 ] - [ 0.0007531800000000, -0.0007372200000000, 0.0001012500000000 ] - [ -0.0000886400000000, -0.0006676200000000, 0.0013654800000000 ] - [ 0.0007624000000000, -0.0012172600000000, 0.0008842500000000 ] - [ -0.0013354400000000, 0.0025010300000000, -0.0010230300000000 ] - [ -0.0008180100000000, 0.0038643500000000, -0.0010745400000000 ] - [ -0.0007547600000000, 0.0015633900000000, -0.0004784900000000 ] - [ -0.0010968300000000, 0.0016518400000000, -0.0002931400000000 ] - [ -0.0000282100000000, -0.0026361400000000, -0.0027608900000000 ] - [ -0.0022166300000000, -0.0037623900000000, -0.0020894400000000 ] - [ -0.0003540800000000, -0.0009252000000000, 0.0004734300000000 ] - [ -0.0013515600000000, -0.0017957600000000, -0.0001070400000000 ] - [ -0.0003691800000000, 0.0018880900000000, -0.0005422700000000 ] - [ -0.0040115300000000, 0.0017069200000000, -0.0019440900000000 ] - [ -0.0007785000000000, 0.0003095700000000, 0.0002893600000000 ] - [ -0.0015151100000000, 0.0001032200000000, 0.0002605600000000 ] - [ -0.0005255400000000, -0.0002362700000000, 0.0003957200000000 ] - [ -0.0025474400000000, -0.0078806400000000, -0.0101876400000000 ] - [ -0.0004463100000000, -0.0000460300000000, 0.0011931300000000 ] - [ -0.0015064700000000, -0.0002777000000000, 0.0021819000000000 ] - [ 0.0031771300000000, 0.0175329100000000, -0.0028689300000000 ] - [ -0.0000165800000000, -0.0002777800000000, 0.0003755900000000 ] - [ 0.0007405000000000, 0.0000436800000000, -0.0005290100000000 ] - [ 0.0000131100000000, -0.0005628100000000, -0.0000117300000000 ] - [ -0.0018655200000000, 0.0020261000000000, 0.0051270200000000 ] - [ 0.0000203300000000, 0.0005258400000000, 0.0003757900000000 ] - [ 0.0006748200000000, 0.0001666200000000, -0.0008032300000000 ] - [ -0.0000043200000000, 0.0006345800000000, -0.0000535200000000 ] - [ 0.0021930400000000, -0.0040123400000000, 0.0024612000000000 ] - [ -0.0003882000000000, -0.0004858700000000, 0.0008890300000000 ] - [ 0.0009100800000000, -0.0000357200000000, -0.0005399000000000 ] - [ -0.0000794400000000, -0.0001787300000000, 0.0001022200000000 ] - [ -0.0120487100000000, -0.0052229400000000, -0.0228829300000000 ] - [ 0.0001687100000000, 0.0001691200000000, -0.0005407400000000 ] - [ 0.0006160400000000, 0.0003271400000000, -0.0006887200000000 ] - [ 0.0000149000000000, 0.0001229300000000, -0.0006248400000000 ] - [ 0.0327342300000000, 0.2302297500000000, 0.1416796000000000 ] - [ -0.0011130600000000, 0.0000477300000000, 0.0002383900000000 ] - [ -0.0006019200000000, -0.0001651800000000, -0.0005727400000000 ] - [ -0.0010432600000000, -0.0003300500000000, -0.0003272500000000 ] - [ -0.0064833200000000, -0.0555208100000000, 0.0070590500000000 ] - [ -0.0011817600000000, 0.0001056300000000, 0.0002053100000000 ] - [ -0.0006453200000000, 0.0003302300000000, -0.0005944800000000 ] - [ -0.0010442600000000, 0.0003889900000000, -0.0003523100000000 ] - [ -0.0005588700000000, -0.0009937200000000, 0.0007430800000000 ] - [ -0.0008945200000000, -0.0001295700000000, -0.0001826700000000 ] - [ 0.0019422800000000, -0.0021032200000000, -0.0030271800000000 ] - [ -0.0009865800000000, -0.0001227900000000, -0.0002221200000000 ] - [ 0.0017257300000000, -0.0099512300000000, 0.0058815600000000 ] - [ -0.0002659800000000, 0.0002021200000000, 0.0000460400000000 ] - [ -0.0000142900000000, 0.0001465400000000, -0.0002759300000000 ] - [ -0.0003278100000000, 0.0005207600000000, -0.0003410000000000 ] - [ -0.0026108200000000, -0.0371988300000000, -0.0417880500000000 ] - [ -0.0001539400000000, -0.0003319200000000, 0.0000115200000000 ] - [ 0.0000561300000000, -0.0003388300000000, -0.0001985300000000 ] - [ -0.0002713800000000, -0.0005675400000000, -0.0002983100000000 ] - [ 0.0014228300000000, -0.0011282400000000, -0.0002468600000000 ] - [ -0.0012041900000000, -0.0026677100000000, -0.0000680800000000 ] - [ 0.0002487400000000, -0.0006409300000000, 0.0003064500000000 ] - [ 0.0002137500000000, -0.0010265800000000, 0.0002693300000000 ] - [ 0.0003839300000000, 0.0024181300000000, 0.0005815200000000 ] - [ -0.0006551500000000, 0.0029566600000000, 0.0002334700000000 ] - [ -0.0006719200000000, 0.0013108700000000, -0.0006217000000000 ] - [ 0.0002282100000000, 0.0011700600000000, 0.0002807600000000 ] - [ 0.0009407400000000, 0.0007405600000000, 0.0010991200000000 ] - [ 0.0002646700000000, 0.0013674200000000, 0.0026147300000000 ] - [ 0.0008029700000000, 0.0001501500000000, -0.0000089100000000 ] - [ 0.0004587600000000, 0.0002334000000000, -0.0017963200000000 ] - [ 0.0012597900000000, -0.0016615900000000, 0.0006388900000000 ] - [ 0.0016900600000000, -0.0024221200000000, 0.0012622600000000 ] - [ 0.0008532400000000, -0.0004934600000000, -0.0000741600000000 ] - [ 0.0011194000000000, -0.0005065400000000, -0.0000926400000000 ] - [ -0.0011461300000000, -0.0001975000000000, 0.0013341700000000 ] - [ 0.0019735100000000, 0.0009605600000000, 0.0014246200000000 ] - [ 0.0008250900000000, -0.0000005900000000, -0.0004979100000000 ] - [ 0.0011761100000000, 0.0004479900000000, -0.0002167100000000 ] - [ -0.0009793500000000, -0.0005420200000000, 0.0006112300000000 ] - [ 0.0022428300000000, -0.0019498200000000, 0.0018257200000000 ] - [ -0.0003854200000000, -0.0000823400000000, 0.0001577700000000 ] - [ -0.0000698400000000, -0.0000700600000000, 0.0002693300000000 ] - [ 0.0003239900000000, 0.0002409600000000, -0.0001178300000000 ] - [ -0.0245585400000000, -0.0068898000000000, 0.0068039400000000 ] - [ -0.0001682400000000, 0.0000638700000000, -0.0007687700000000 ] - [ 0.0003934900000000, 0.0000808500000000, -0.0012601300000000 ] - [ 0.0003054200000000, -0.0012159900000000, -0.0001445600000000 ] - [ 0.0006759300000000, -0.0025140200000000, 0.0003787400000000 ] - [ -0.0001214100000000, -0.0009391500000000, -0.0002837800000000 ] - [ 0.0007469100000000, -0.0013534900000000, -0.0003249000000000 ] - [ -0.0004484900000000, 0.0006074500000000, 0.0004883300000000 ] - [ 0.0008864200000000, 0.0011741900000000, 0.0005343400000000 ] - [ -0.0007234300000000, 0.0003801300000000, -0.0007242200000000 ] - [ 0.0008478000000000, 0.0010344800000000, -0.0006015400000000 ]- atom: 81 displacement: [ -0.0015728055973509, 0.0000000000000000, 0.0098755396081906 ] forces: - [ 0.0005437700000000, 0.0018716900000000, -0.0018320400000000 ] - [ -0.0002929300000000, 0.0000291100000000, 0.0002445400000000 ] - [ -0.0004367500000000, -0.0003664500000000, -0.0037715600000000 ] - [ 0.0000050000000000, -0.0000268600000000, 0.0000682800000000 ] - [ 0.0008870100000000, -0.0017990700000000, -0.0001370300000000 ] - [ -0.0003879400000000, -0.0000447200000000, 0.0002230500000000 ] - [ -0.0001992900000000, 0.0001706300000000, -0.0006412400000000 ] - [ 0.0000257300000000, 0.0000539800000000, 0.0000774800000000 ] - [ -0.0005283900000000, 0.0004168200000000, 0.0033069000000000 ] - [ -0.0003351400000000, -0.0000198400000000, 0.0008258200000000 ] - [ -0.0003665500000000, -0.0000712900000000, -0.0009306100000000 ] - [ -0.0002021400000000, -0.0000242500000000, -0.0002943800000000 ] - [ -0.0003498400000000, 0.0009129400000000, 0.0029409500000000 ] - [ 0.0002785500000000, 0.0000363100000000, 0.0013593400000000 ] - [ 0.0003346300000000, 0.0001136400000000, -0.0010167900000000 ] - [ 0.0002989100000000, 0.0000277800000000, -0.0011514100000000 ] - [ -0.0004192600000000, -0.0003841200000000, 0.0003651100000000 ] - [ 0.0006049200000000, 0.0001386100000000, 0.0003757500000000 ] - [ 0.0002416700000000, -0.0001722800000000, -0.0006788700000000 ] - [ -0.0001116600000000, -0.0005148500000000, -0.0010689200000000 ] - [ -0.0025653000000000, 0.0003911000000000, 0.0005122200000000 ] - [ 0.0029522700000000, -0.0010943500000000, 0.0008281400000000 ] - [ 0.0003378200000000, 0.0002215800000000, -0.0009229800000000 ] - [ -0.0001576600000000, 0.0004787400000000, -0.0011581500000000 ] - [ 0.0062100600000000, -0.0109055600000000, -0.0012449100000000 ] - [ 0.0004036300000000, -0.0001151200000000, 0.0006625200000000 ] - [ 0.0003032600000000, 0.0002687600000000, -0.0021892600000000 ] - [ -0.0000604200000000, 0.0000203700000000, -0.0007865900000000 ] - [ 0.0019216000000000, -0.0014918600000000, -0.0010816700000000 ] - [ -0.0101584300000000, 0.0014893500000000, -0.0033075700000000 ] - [ -0.0018172300000000, 0.0008262000000000, -0.0005662100000000 ] - [ 0.0019319100000000, 0.0010247400000000, -0.0031495500000000 ] - [ 0.0004319300000000, 0.0013416700000000, 0.0007250100000000 ] - [ 0.0009760600000000, 0.0004291700000000, -0.0001476100000000 ] - [ 0.0024595400000000, -0.0007066000000000, -0.0030046600000000 ] - [ -0.0002075400000000, -0.0004498700000000, -0.0015085200000000 ] - [ -0.0138014100000000, -0.0066824000000000, 0.0480956800000000 ] - [ 0.0016024200000000, 0.0000011400000000, 0.0014785600000000 ] - [ 0.0011880600000000, -0.0000381700000000, -0.0033014600000000 ] - [ 0.0008192400000000, 0.0000330300000000, -0.0009022100000000 ] - [ -0.0598493700000000, 0.0693917300000000, 0.2113256200000000 ] - [ 0.0008021300000000, 0.0016824200000000, 0.0017481900000000 ] - [ 0.0019760000000000, 0.0012554400000000, -0.0020662800000000 ] - [ 0.0006846800000000, 0.0010250500000000, -0.0003163900000000 ] - [ -0.0014261900000000, -0.0027585100000000, 0.0092751600000000 ] - [ 0.0007968800000000, -0.0016110500000000, 0.0016629400000000 ] - [ 0.0018761200000000, -0.0013851200000000, -0.0015684400000000 ] - [ 0.0006744400000000, -0.0010290800000000, -0.0002724200000000 ] - [ -0.0000671500000000, -0.0001196700000000, 0.0003662800000000 ] - [ -0.0012994000000000, -0.0009969300000000, 0.0019976100000000 ] - [ -0.0009522800000000, 0.0016085900000000, -0.0013840200000000 ] - [ -0.0000122100000000, 0.0013863600000000, -0.0020977900000000 ] - [ 0.0013191600000000, 0.0020360800000000, 0.0007915400000000 ] - [ -0.0030087900000000, 0.0006987300000000, 0.0019829700000000 ] - [ -0.0013442500000000, -0.0022828000000000, -0.0020957000000000 ] - [ 0.0007026900000000, -0.0010006500000000, -0.0027568600000000 ] - [ -0.0005307400000000, 0.0005621800000000, 0.0018176800000000 ] - [ -0.0010083700000000, -0.0000557500000000, 0.0056158300000000 ] - [ -0.0014286200000000, -0.0002410100000000, -0.0015186600000000 ] - [ -0.0006517100000000, -0.0002023600000000, -0.0024920600000000 ] - [ -0.0012410500000000, 0.0000321500000000, 0.0027868900000000 ] - [ 0.0099391700000000, 0.0177314200000000, 0.0105692100000000 ] - [ 0.0002149800000000, 0.0000173400000000, -0.0002508300000000 ] - [ 0.0008626300000000, -0.0002381900000000, -0.0023742800000000 ] - [ -0.0369602500000000, -0.0024837500000000, 0.0402146800000000 ] - [ 0.0002784200000000, -0.0007593100000000, -0.0005088700000000 ] - [ -0.0007369200000000, -0.0009925700000000, 0.0024766400000000 ] - [ -0.0000794700000000, -0.0006485600000000, 0.0006977000000000 ] - [ 0.0015323600000000, -0.0034387200000000, -0.0035068400000000 ] - [ 0.0003100500000000, 0.0006296800000000, -0.0005145200000000 ] - [ -0.0009335800000000, 0.0013020600000000, 0.0021115000000000 ] - [ -0.0000628100000000, 0.0006597600000000, 0.0006765900000000 ] - [ 0.0009369300000000, -0.0010904900000000, -0.0029513700000000 ] - [ -0.0001866600000000, -0.0001930900000000, -0.0004603300000000 ] - [ -0.0006795200000000, 0.0001495100000000, 0.0026800600000000 ] - [ 0.0002659100000000, 0.0001282000000000, 0.0012328200000000 ] - [ 0.0258226100000000, 0.0265402900000000, 0.0309420100000000 ] - [ -0.0004234600000000, 0.0001929500000000, -0.0013214100000000 ] - [ -0.0002640700000000, -0.0007071700000000, 0.0028247500000000 ] - [ 0.0006314500000000, -0.0001016300000000, 0.0002333600000000 ] - [ 0.0788521300000000, -0.1303129300000000, -0.3330352000000000 ] - [ -0.0011323500000000, -0.0007002300000000, -0.0011796800000000 ] - [ -0.0012929800000000, 0.0001845400000000, 0.0021476200000000 ] - [ -0.0008787400000000, -0.0001306000000000, 0.0007164200000000 ] - [ 0.0019543300000000, 0.0080886300000000, -0.0145300800000000 ] - [ -0.0011298300000000, 0.0006785600000000, -0.0011522000000000 ] - [ -0.0011699400000000, -0.0001985600000000, 0.0018868600000000 ] - [ -0.0008614300000000, 0.0001059400000000, 0.0006895200000000 ] - [ -0.0006851100000000, -0.0010073800000000, 0.0005215400000000 ] - [ -0.0007887000000000, -0.0000744900000000, -0.0000421300000000 ] - [ -0.0026936600000000, 0.0017897500000000, 0.0023425100000000 ] - [ -0.0005377500000000, 0.0000988500000000, -0.0003162500000000 ] - [ 0.0000154300000000, 0.0055940000000000, -0.0030285300000000 ] - [ -0.0004428400000000, 0.0008187500000000, -0.0006682300000000 ] - [ -0.0004500300000000, 0.0006696600000000, 0.0007509200000000 ] - [ 0.0000904100000000, 0.0006280500000000, 0.0003727700000000 ] - [ 0.0063031700000000, 0.0338317500000000, 0.0187973300000000 ] - [ -0.0005917200000000, -0.0007702500000000, -0.0007092500000000 ] - [ -0.0003775400000000, -0.0008055600000000, 0.0009788000000000 ] - [ 0.0000930200000000, -0.0006233700000000, 0.0003872400000000 ] - [ -0.0010065700000000, 0.0006194800000000, 0.0000482400000000 ] - [ 0.0027551600000000, 0.0017693500000000, -0.0008766700000000 ] - [ 0.0006526100000000, -0.0009887300000000, 0.0006472000000000 ] - [ -0.0004338400000000, -0.0010248700000000, 0.0009439300000000 ] - [ -0.0043524300000000, -0.0000935000000000, 0.0013700600000000 ] - [ 0.0019946500000000, -0.0009679100000000, -0.0006176300000000 ] - [ 0.0015879900000000, 0.0005447000000000, 0.0014213100000000 ] - [ -0.0005720100000000, 0.0006556100000000, 0.0009668800000000 ] - [ 0.0020709300000000, -0.0004744400000000, -0.0006388500000000 ] - [ -0.0034805700000000, -0.0032536500000000, -0.0001110200000000 ] - [ -0.0000625000000000, 0.0002027000000000, 0.0012951000000000 ] - [ 0.0011898300000000, -0.0002577200000000, 0.0037572000000000 ] - [ 0.0008180000000000, 0.0001413200000000, -0.0010252600000000 ] - [ 0.0009036200000000, 0.0006903400000000, -0.0026881700000000 ] - [ 0.0010935800000000, -0.0004971700000000, 0.0009233200000000 ] - [ 0.0007146400000000, -0.0005579800000000, 0.0014364200000000 ] - [ 0.0003869200000000, -0.0012075400000000, -0.0020223300000000 ] - [ 0.0011540500000000, -0.0008063600000000, -0.0029252000000000 ] - [ 0.0011193800000000, 0.0009094300000000, 0.0012932700000000 ] - [ 0.0005698500000000, 0.0006895800000000, 0.0018673200000000 ] - [ 0.0000700100000000, 0.0000934700000000, -0.0007708700000000 ] - [ -0.0027542400000000, 0.0018116300000000, -0.0032750500000000 ] - [ -0.0000334300000000, 0.0000194500000000, 0.0015693700000000 ] - [ -0.0000474300000000, -0.0000087200000000, 0.0024375600000000 ] - [ -0.0005647000000000, 0.0000608300000000, -0.0018723600000000 ] - [ -0.0041389000000000, -0.0058882500000000, -0.0150349000000000 ] - [ -0.0001766300000000, -0.0000456300000000, 0.0006237200000000 ] - [ -0.0009243400000000, 0.0000553400000000, 0.0023126400000000 ] - [ -0.0004750100000000, -0.0003073400000000, -0.0002860800000000 ] - [ 0.0005135700000000, 0.0002061100000000, -0.0008050200000000 ] - [ 0.0002282400000000, -0.0005963100000000, 0.0001704200000000 ] - [ -0.0011026800000000, -0.0001156400000000, 0.0006838100000000 ] - [ -0.0011701500000000, -0.0006949300000000, -0.0001575500000000 ] - [ 0.0013953800000000, -0.0008340000000000, -0.0005299500000000 ] - [ 0.0007002000000000, 0.0010588700000000, 0.0004353100000000 ] - [ -0.0017388700000000, 0.0011441300000000, 0.0016357700000000 ]- atom: 81 displacement: [ 0.0015728055973509, 0.0000000000000000, -0.0098755396081906 ] forces: - [ -0.0007532900000000, -0.0020583600000000, 0.0025063700000000 ] - [ 0.0001254200000000, -0.0001378800000000, 0.0001344800000000 ] - [ 0.0002685900000000, 0.0002615400000000, 0.0041800000000000 ] - [ -0.0001762400000000, -0.0000813500000000, 0.0003084800000000 ] - [ -0.0010641100000000, 0.0019147300000000, 0.0005222900000000 ] - [ 0.0002209500000000, 0.0001543800000000, 0.0001463700000000 ] - [ 0.0000299200000000, -0.0000632400000000, 0.0010084200000000 ] - [ -0.0001962500000000, 0.0000548300000000, 0.0002894300000000 ] - [ -0.0001210800000000, -0.0004157300000000, -0.0029890700000000 ] - [ -0.0003095000000000, 0.0000202300000000, -0.0004936600000000 ] - [ -0.0002785300000000, 0.0000725100000000, 0.0012722500000000 ] - [ -0.0004452100000000, 0.0000245400000000, 0.0006323100000000 ] - [ 0.0009592900000000, -0.0009031600000000, -0.0032991200000000 ] - [ 0.0003870300000000, -0.0000391600000000, -0.0016974700000000 ] - [ 0.0003127200000000, -0.0001154200000000, 0.0006855900000000 ] - [ 0.0003460400000000, -0.0000284000000000, 0.0008190000000000 ] - [ 0.0005866300000000, 0.0002806600000000, -0.0007388800000000 ] - [ -0.0004315900000000, -0.0002401300000000, -0.0007543300000000 ] - [ -0.0000719400000000, 0.0000640200000000, 0.0003138800000000 ] - [ 0.0002804600000000, 0.0004063400000000, 0.0007059000000000 ] - [ 0.0027555000000000, -0.0002891400000000, -0.0008969900000000 ] - [ -0.0028037600000000, 0.0012070800000000, -0.0012204000000000 ] - [ -0.0001666700000000, -0.0001146300000000, 0.0005481600000000 ] - [ 0.0003270900000000, -0.0003722500000000, 0.0007863300000000 ] - [ -0.0057073600000000, 0.0110061500000000, 0.0014150300000000 ] - [ 0.0001427500000000, 0.0001169700000000, -0.0004958400000000 ] - [ 0.0002446100000000, -0.0002660400000000, 0.0023659800000000 ] - [ 0.0006106800000000, -0.0000200500000000, 0.0009580800000000 ] - [ -0.0024769700000000, 0.0014860900000000, 0.0009215600000000 ] - [ 0.0096560600000000, -0.0014824100000000, 0.0031923200000000 ] - [ 0.0012801700000000, -0.0008363000000000, 0.0003921400000000 ] - [ -0.0025004600000000, -0.0010391100000000, 0.0029877500000000 ] - [ 0.0003780900000000, -0.0013372400000000, -0.0023941000000000 ] - [ -0.0001632900000000, -0.0004280700000000, -0.0015326600000000 ] - [ -0.0016594600000000, 0.0007160400000000, 0.0013381600000000 ] - [ 0.0010273000000000, 0.0004547600000000, -0.0001677500000000 ] - [ 0.0159380000000000, 0.0070977500000000, -0.0474243900000000 ] - [ 0.0004117100000000, -0.0000021600000000, -0.0010438500000000 ] - [ 0.0008280000000000, 0.0000369500000000, 0.0037532300000000 ] - [ 0.0011977600000000, -0.0000337600000000, 0.0013412100000000 ] - [ 0.0647835500000000, -0.0747710700000000, -0.2235635400000000 ] - [ 0.0005575600000000, 0.0007338200000000, -0.0005478000000000 ] - [ -0.0006205300000000, 0.0011669700000000, 0.0032841200000000 ] - [ 0.0006747400000000, 0.0013976700000000, 0.0015303700000000 ] - [ 0.0028095100000000, 0.0004105200000000, -0.0082458400000000 ] - [ 0.0005629800000000, -0.0008066200000000, -0.0004618300000000 ] - [ -0.0005207800000000, -0.0010372100000000, 0.0027868900000000 ] - [ 0.0006849100000000, -0.0013937300000000, 0.0014861300000000 ] - [ -0.0012977400000000, 0.0025452800000000, -0.0015724000000000 ] - [ -0.0000563300000000, 0.0034264300000000, -0.0031989600000000 ] - [ -0.0004063500000000, 0.0008132900000000, 0.0001774500000000 ] - [ -0.0013518700000000, 0.0010351400000000, 0.0008955600000000 ] - [ -0.0026826800000000, -0.0044556300000000, -0.0019932600000000 ] - [ 0.0016493200000000, -0.0031339200000000, -0.0031855100000000 ] - [ -0.0000099300000000, -0.0001327200000000, 0.0008969600000000 ] - [ -0.0020748400000000, -0.0014251800000000, 0.0015624300000000 ] - [ -0.0014900300000000, -0.0005620600000000, -0.0022642400000000 ] - [ -0.0010043500000000, 0.0000579400000000, -0.0060945700000000 ] - [ -0.0005846600000000, 0.0002437200000000, 0.0010924800000000 ] - [ -0.0013680800000000, 0.0002047400000000, 0.0020692300000000 ] - [ 0.0004250400000000, -0.0000333800000000, -0.0011154000000000 ] - [ -0.0108211000000000, -0.0179244000000000, -0.0091494900000000 ] - [ -0.0010301800000000, -0.0000176600000000, 0.0019352800000000 ] - [ -0.0016822500000000, 0.0002360400000000, 0.0040656900000000 ] - [ 0.0379772200000000, 0.0012299600000000, -0.0407923700000000 ] - [ -0.0001404900000000, -0.0004750400000000, 0.0007996400000000 ] - [ 0.0008800900000000, -0.0002402500000000, -0.0021997700000000 ] - [ 0.0002186300000000, -0.0005888200000000, -0.0004162600000000 ] - [ -0.0014069900000000, 0.0047032500000000, 0.0038624000000000 ] - [ -0.0001723300000000, 0.0006066700000000, 0.0008041600000000 ] - [ 0.0010739800000000, -0.0000671700000000, -0.0018349000000000 ] - [ 0.0002022100000000, 0.0005766600000000, -0.0003947200000000 ] - [ -0.0007682200000000, 0.0010964500000000, 0.0038558700000000 ] - [ 0.0003639800000000, 0.0001929600000000, 0.0013577700000000 ] - [ 0.0008599700000000, -0.0001516500000000, -0.0017994500000000 ] - [ -0.0000929000000000, -0.0001298900000000, -0.0003419500000000 ] - [ -0.0250949300000000, -0.0261906300000000, -0.0316982500000000 ] - [ 0.0008793500000000, -0.0001922900000000, 0.0002684700000000 ] - [ 0.0007246100000000, 0.0007157500000000, -0.0038929400000000 ] - [ -0.0001773700000000, 0.0001025300000000, -0.0012864700000000 ] - [ -0.0850826700000000, 0.1380193400000000, 0.3465653300000000 ] - [ -0.0007272700000000, 0.0000503900000000, 0.0009640600000000 ] - [ -0.0005642200000000, -0.0008368200000000, -0.0023787300000000 ] - [ -0.0009788100000000, -0.0005226200000000, -0.0009412800000000 ] - [ -0.0038274200000000, -0.0078430200000000, 0.0143537100000000 ] - [ -0.0007294700000000, -0.0000283000000000, 0.0009356500000000 ] - [ -0.0006883000000000, 0.0008527400000000, -0.0021170200000000 ] - [ -0.0009962800000000, 0.0005475000000000, -0.0009138000000000 ] - [ -0.0006793600000000, 0.0010017000000000, -0.0009953500000000 ] - [ -0.0005774600000000, 0.0000737200000000, -0.0004298600000000 ] - [ 0.0013449200000000, -0.0018104400000000, -0.0028346200000000 ] - [ -0.0008314300000000, -0.0001005300000000, -0.0001527500000000 ] - [ -0.0002978300000000, -0.0044171100000000, 0.0027813000000000 ] - [ 0.0001550300000000, 0.0004481100000000, 0.0003724600000000 ] - [ 0.0001621100000000, 0.0006027800000000, -0.0010591700000000 ] - [ -0.0003788400000000, 0.0006436700000000, -0.0006772300000000 ] - [ -0.0066598300000000, -0.0356667400000000, -0.0193442000000000 ] - [ 0.0003063300000000, -0.0004979700000000, 0.0004134300000000 ] - [ 0.0000900200000000, -0.0004691400000000, -0.0012868300000000 ] - [ -0.0003816300000000, -0.0006494100000000, -0.0006924900000000 ] - [ 0.0013006100000000, -0.0018905100000000, 0.0002497100000000 ] - [ -0.0024634600000000, -0.0030430400000000, 0.0011678400000000 ] - [ -0.0003673300000000, -0.0002830400000000, -0.0003449100000000 ] - [ 0.0007245800000000, -0.0002460700000000, -0.0006423500000000 ] - [ 0.0046251000000000, 0.0013636100000000, -0.0010653600000000 ] - [ -0.0017125300000000, 0.0022489900000000, 0.0009140400000000 ] - [ -0.0013127000000000, 0.0007318200000000, -0.0011267100000000 ] - [ 0.0008634600000000, 0.0006197700000000, -0.0006653300000000 ] - [ -0.0007078300000000, 0.0004797000000000, 0.0011212700000000 ] - [ 0.0048700700000000, 0.0033000200000000, 0.0006210300000000 ] - [ 0.0014291100000000, -0.0002019200000000, -0.0008308900000000 ] - [ 0.0001793500000000, 0.0002546400000000, -0.0032917600000000 ] - [ 0.0010434400000000, -0.0007970600000000, 0.0012488800000000 ] - [ 0.0009533400000000, -0.0013523300000000, 0.0029142800000000 ] - [ 0.0007632400000000, -0.0001566200000000, -0.0007067000000000 ] - [ 0.0011456800000000, -0.0000942600000000, -0.0012212500000000 ] - [ 0.0014766700000000, 0.0018640200000000, 0.0022480100000000 ] - [ 0.0007005200000000, 0.0014645800000000, 0.0031531900000000 ] - [ 0.0007369600000000, -0.0002607500000000, -0.0010800600000000 ] - [ 0.0012913100000000, -0.0000403800000000, -0.0016563800000000 ] - [ -0.0005234400000000, -0.0000957500000000, 0.0018260700000000 ] - [ 0.0023278300000000, -0.0018340100000000, 0.0043533900000000 ] - [ -0.0004219700000000, -0.0000199600000000, -0.0005277500000000 ] - [ -0.0004081700000000, 0.0000080700000000, -0.0013984100000000 ] - [ 0.0003935700000000, -0.0000605700000000, 0.0009836400000000 ] - [ 0.0036582800000000, 0.0056965000000000, 0.0143270600000000 ] - [ 0.0000024500000000, 0.0000459800000000, -0.0015224600000000 ] - [ 0.0007538400000000, -0.0000546300000000, -0.0032177000000000 ] - [ 0.0003396300000000, -0.0009325400000000, 0.0000001800000000 ] - [ -0.0006528500000000, -0.0014439000000000, 0.0005162300000000 ] - [ -0.0003694000000000, -0.0006418300000000, -0.0004565400000000 ] - [ 0.0009710300000000, -0.0011271700000000, -0.0009708900000000 ] - [ 0.0010317900000000, 0.0019307000000000, -0.0001274400000000 ] - [ -0.0015293100000000, 0.0020720100000000, 0.0002463600000000 ] - [ -0.0008465900000000, 0.0001747200000000, -0.0007238400000000 ] - [ 0.0016143700000000, 0.0000853500000000, -0.0019342700000000 ]- atom: 89 displacement: [ 0.0099999999923824, 0.0000000000000000, -0.0000003903221875 ] forces: - [ 0.0048278000000000, 0.0013868200000000, -0.0010883600000000 ] - [ -0.0019085000000000, 0.0000475400000000, -0.0000336200000000 ] - [ 0.0000633000000000, -0.0001947900000000, 0.0010119400000000 ] - [ -0.0002772800000000, -0.0000378400000000, 0.0001919400000000 ] - [ 0.0048278000000000, -0.0013868200000000, -0.0010883600000000 ] - [ -0.0019085000000000, -0.0000475400000000, -0.0000336200000000 ] - [ 0.0000633000000000, 0.0001947900000000, 0.0010119400000000 ] - [ -0.0002772800000000, 0.0000378400000000, 0.0001919400000000 ] - [ 0.0032179000000000, 0.0000000000000000, -0.0030704400000000 ] - [ -0.0023278600000000, 0.0000000000000000, 0.0004949100000000 ] - [ -0.0006329700000000, 0.0000000000000000, 0.0019211000000000 ] - [ -0.0005677600000000, 0.0000000000000000, -0.0001371300000000 ] - [ 0.0011219600000000, 0.0000000000000000, -0.0009108800000000 ] - [ -0.0006345000000000, 0.0000000000000000, 0.0007893300000000 ] - [ -0.0001746600000000, 0.0000000000000000, 0.0003533100000000 ] - [ 0.0003721100000000, 0.0000000000000000, -0.0004253800000000 ] - [ 0.0004168000000000, -0.0002067300000000, -0.0005741200000000 ] - [ -0.0003722600000000, 0.0003719700000000, 0.0008615200000000 ] - [ -0.0015988100000000, -0.0006183700000000, 0.0003699100000000 ] - [ 0.0002040500000000, 0.0008670800000000, -0.0026002200000000 ] - [ 0.0004168000000000, 0.0002067300000000, -0.0005741200000000 ] - [ -0.0003722600000000, -0.0003719700000000, 0.0008615200000000 ] - [ -0.0015988100000000, 0.0006183700000000, 0.0003699100000000 ] - [ 0.0002040500000000, -0.0008670800000000, -0.0026002200000000 ] - [ 0.0026294300000000, 0.0000000000000000, 0.0031169000000000 ] - [ -0.0011926000000000, 0.0000000000000000, -0.0000835400000000 ] - [ 0.0221536300000000, 0.0000000000000000, -0.0099397500000000 ] - [ -0.0022247000000000, 0.0000000000000000, -0.0004413500000000 ] - [ -0.0026825800000000, 0.0000000000000000, 0.0001480800000000 ] - [ 0.0028377400000000, 0.0000000000000000, -0.0027587900000000 ] - [ -0.0005071000000000, 0.0000000000000000, 0.0001966700000000 ] - [ 0.0002212700000000, 0.0000000000000000, 0.0012177700000000 ] - [ 0.1335549200000000, 0.0000000000000000, -0.0299427900000000 ] - [ -0.0033169200000000, 0.0000000000000000, -0.0010017700000000 ] - [ 0.0003194100000000, 0.0000000000000000, 0.0005744600000000 ] - [ -0.0000148600000000, 0.0000000000000000, -0.0007304900000000 ] - [ 0.0025903300000000, 0.0000000000000000, 0.0012974400000000 ] - [ -0.0004428400000000, 0.0000000000000000, -0.0008506100000000 ] - [ 0.0035179600000000, 0.0000000000000000, 0.0018482600000000 ] - [ 0.0001993800000000, 0.0000000000000000, 0.0001716300000000 ] - [ 0.0013334800000000, 0.0008321400000000, 0.0010270000000000 ] - [ -0.0000669700000000, 0.0010043400000000, 0.0008280200000000 ] - [ 0.0064767000000000, 0.0080678300000000, 0.0013280800000000 ] - [ -0.0002620200000000, 0.0003393900000000, 0.0003793600000000 ] - [ 0.0013334800000000, -0.0008321400000000, 0.0010270000000000 ] - [ -0.0000669700000000, -0.0010043400000000, 0.0008280200000000 ] - [ 0.0064767000000000, -0.0080678300000000, 0.0013280800000000 ] - [ -0.0002620200000000, -0.0003393900000000, 0.0003793600000000 ] - [ -0.0032759200000000, -0.0000585900000000, -0.0013809800000000 ] - [ -0.0072761400000000, 0.0064639000000000, 0.0079137900000000 ] - [ -0.0008710400000000, 0.0008740900000000, 0.0002044500000000 ] - [ -0.0006167900000000, 0.0014979800000000, -0.0005060100000000 ] - [ -0.0032759200000000, 0.0000585900000000, -0.0013809800000000 ] - [ -0.0072761400000000, -0.0064639000000000, 0.0079137900000000 ] - [ -0.0008710400000000, -0.0008740900000000, 0.0002044500000000 ] - [ -0.0006167900000000, -0.0014979800000000, -0.0005060100000000 ] - [ -0.0034176400000000, 0.0000000000000000, -0.0021969000000000 ] - [ -0.0061978500000000, 0.0000000000000000, 0.0048761800000000 ] - [ -0.0018013400000000, 0.0000000000000000, 0.0000929000000000 ] - [ 0.0005332100000000, 0.0000000000000000, -0.0022282800000000 ] - [ -0.0006970500000000, 0.0000000000000000, 0.0001540800000000 ] - [ -0.0006118200000000, 0.0000000000000000, 0.0023234600000000 ] - [ -0.0023738000000000, 0.0000000000000000, 0.0011844900000000 ] - [ 0.0036736000000000, 0.0000000000000000, 0.0001180900000000 ] - [ -0.0002710300000000, -0.0006221800000000, -0.0003636500000000 ] - [ 0.0005959700000000, -0.0003859000000000, 0.0001062700000000 ] - [ -0.0037525200000000, -0.0025021300000000, 0.0012569400000000 ] - [ 0.0012781200000000, -0.0002105200000000, 0.0000773300000000 ] - [ -0.0002710300000000, 0.0006221800000000, -0.0003636500000000 ] - [ 0.0005959700000000, 0.0003859000000000, 0.0001062700000000 ] - [ -0.0037525200000000, 0.0025021300000000, 0.0012569400000000 ] - [ 0.0012781200000000, 0.0002105200000000, 0.0000773300000000 ] - [ 0.0106979700000000, 0.0000000000000000, -0.0248849700000000 ] - [ 0.0018750800000000, 0.0000000000000000, 0.0008695100000000 ] - [ -0.0012048500000000, 0.0000000000000000, -0.0001824300000000 ] - [ 0.0007159900000000, 0.0000000000000000, 0.0002199000000000 ] - [ -0.0020095600000000, 0.0000000000000000, -0.0007710500000000 ] - [ 0.0019668000000000, 0.0000000000000000, 0.0003301300000000 ] - [ -0.0006513900000000, 0.0000000000000000, -0.0022853900000000 ] - [ 0.0005184500000000, 0.0000000000000000, -0.0004728100000000 ] - [ -0.0021280900000000, -0.0004560000000000, -0.0003061500000000 ] - [ 0.0001150500000000, -0.0001142900000000, -0.0000536900000000 ] - [ -0.0023680400000000, -0.0029540400000000, -0.0023943200000000 ] - [ -0.0005399900000000, -0.0000241400000000, 0.0001012300000000 ] - [ -0.0021280900000000, 0.0004560000000000, -0.0003061500000000 ] - [ 0.0001150500000000, 0.0001142900000000, -0.0000536900000000 ] - [ -0.0023680400000000, 0.0029540400000000, -0.0023943200000000 ] - [ -0.0005399900000000, 0.0000241400000000, 0.0001012300000000 ] - [ -0.2437040700000000, 0.0000000000000000, 0.0925197000000000 ] - [ 0.0020337000000000, 0.0000000000000000, -0.0003902900000000 ] - [ -0.0008662100000000, 0.0000000000000000, -0.0015317400000000 ] - [ -0.0002077900000000, 0.0000000000000000, -0.0002958300000000 ] - [ -0.0013979600000000, 0.0002629600000000, -0.0006073700000000 ] - [ 0.0008112600000000, 0.0006396000000000, -0.0003502300000000 ] - [ -0.0009743700000000, 0.0095001200000000, -0.0091201000000000 ] - [ 0.0011434300000000, 0.0003877200000000, 0.0004816000000000 ] - [ -0.0013979600000000, -0.0002629600000000, -0.0006073700000000 ] - [ 0.0008112600000000, -0.0006396000000000, -0.0003502300000000 ] - [ -0.0009743700000000, -0.0095001200000000, -0.0091201000000000 ] - [ 0.0011434300000000, -0.0003877200000000, 0.0004816000000000 ] - [ 0.0014294800000000, 0.0008301200000000, 0.0006287600000000 ] - [ 0.0036113700000000, -0.0060757400000000, -0.0000814300000000 ] - [ 0.0001642500000000, -0.0004764800000000, -0.0002682600000000 ] - [ 0.0001213800000000, -0.0008217400000000, -0.0000059400000000 ] - [ 0.0014294800000000, -0.0008301200000000, 0.0006287600000000 ] - [ 0.0036113700000000, 0.0060757400000000, -0.0000814300000000 ] - [ 0.0001642500000000, 0.0004764800000000, -0.0002682600000000 ] - [ 0.0001213800000000, 0.0008217400000000, -0.0000059400000000 ] - [ 0.0006432200000000, 0.0000000000000000, 0.0002685000000000 ] - [ 0.0010197400000000, 0.0000000000000000, -0.0007919100000000 ] - [ 0.0022255300000000, 0.0000000000000000, -0.0003210000000000 ] - [ -0.0018821100000000, 0.0000000000000000, 0.0025459600000000 ] - [ 0.0027679900000000, -0.0000742200000000, 0.0018072700000000 ] - [ 0.0035777800000000, -0.0007338400000000, -0.0037074800000000 ] - [ 0.0014997700000000, -0.0002065200000000, -0.0005560400000000 ] - [ 0.0008180600000000, -0.0005462700000000, 0.0005934000000000 ] - [ 0.0027679900000000, 0.0000742200000000, 0.0018072700000000 ] - [ 0.0035777800000000, 0.0007338400000000, -0.0037074800000000 ] - [ 0.0014997700000000, 0.0002065200000000, -0.0005560400000000 ] - [ 0.0008180600000000, 0.0005462700000000, 0.0005934000000000 ] - [ 0.0006265200000000, 0.0000000000000000, 0.0019973700000000 ] - [ 0.0000203000000000, 0.0000000000000000, -0.0044993500000000 ] - [ 0.0011810500000000, 0.0000000000000000, 0.0004658700000000 ] - [ -0.0021682200000000, 0.0000000000000000, 0.0069470000000000 ] - [ 0.0006813000000000, 0.0000000000000000, 0.0001801500000000 ] - [ -0.0009016300000000, 0.0000000000000000, -0.0015299100000000 ] - [ 0.0007159100000000, 0.0000000000000000, -0.0007417900000000 ] - [ -0.0019153400000000, 0.0000000000000000, -0.0002743100000000 ] - [ 0.0021470100000000, -0.0007875600000000, 0.0001651800000000 ] - [ 0.0362589800000000, -0.0239222500000000, -0.0109801000000000 ] - [ 0.0002012700000000, -0.0006696400000000, -0.0004008800000000 ] - [ -0.0001727500000000, -0.0006572100000000, -0.0007211600000000 ] - [ 0.0021470100000000, 0.0007875600000000, 0.0001651800000000 ] - [ 0.0362589800000000, 0.0239222500000000, -0.0109801000000000 ] - [ 0.0002012700000000, 0.0006696400000000, -0.0004008800000000 ] - [ -0.0001727500000000, 0.0006572100000000, -0.0007211600000000 ]- atom: 89 displacement: [ -0.0099999999923824, 0.0000000000000000, 0.0000003903221875 ] forces: - [ -0.0049847600000000, -0.0014856400000000, 0.0014412900000000 ] - [ 0.0017302500000000, -0.0001561700000000, 0.0004038900000000 ] - [ -0.0002361500000000, 0.0000869000000000, -0.0006297200000000 ] - [ 0.0001078700000000, -0.0000690200000000, 0.0001845500000000 ] - [ -0.0049847600000000, 0.0014856400000000, 0.0014412900000000 ] - [ 0.0017302500000000, 0.0001561700000000, 0.0004038900000000 ] - [ -0.0002361500000000, -0.0000869000000000, -0.0006297200000000 ] - [ 0.0001078700000000, 0.0000690200000000, 0.0001845500000000 ] - [ -0.0038624700000000, 0.0000000000000000, 0.0033612200000000 ] - [ 0.0016719900000000, 0.0000000000000000, -0.0001551200000000 ] - [ -0.0000228700000000, 0.0000000000000000, -0.0015709100000000 ] - [ -0.0000708300000000, 0.0000000000000000, 0.0004723400000000 ] - [ -0.0004756600000000, 0.0000000000000000, 0.0005747800000000 ] - [ 0.0012765100000000, 0.0000000000000000, -0.0011165500000000 ] - [ 0.0008130700000000, 0.0000000000000000, -0.0006859000000000 ] - [ 0.0002783800000000, 0.0000000000000000, 0.0000881800000000 ] - [ -0.0002458700000000, 0.0000988100000000, 0.0002034800000000 ] - [ 0.0005412900000000, -0.0004774600000000, -0.0012241600000000 ] - [ 0.0017584400000000, 0.0005115100000000, -0.0007521600000000 ] - [ -0.0000180100000000, -0.0009782800000000, 0.0022059500000000 ] - [ -0.0002458700000000, -0.0000988100000000, 0.0002034800000000 ] - [ 0.0005412900000000, 0.0004774600000000, -0.0012241600000000 ] - [ 0.0017584400000000, -0.0005115100000000, -0.0007521600000000 ] - [ -0.0000180100000000, 0.0009782800000000, 0.0022059500000000 ] - [ -0.0020711900000000, 0.0000000000000000, -0.0029198300000000 ] - [ 0.0017447700000000, 0.0000000000000000, 0.0002625100000000 ] - [ -0.0213825600000000, 0.0000000000000000, 0.0096453500000000 ] - [ 0.0027760600000000, 0.0000000000000000, 0.0005897300000000 ] - [ 0.0021226000000000, 0.0000000000000000, -0.0003308600000000 ] - [ -0.0033576400000000, 0.0000000000000000, 0.0025611600000000 ] - [ -0.0000524900000000, 0.0000000000000000, -0.0003554200000000 ] - [ -0.0007672500000000, 0.0000000000000000, -0.0013669000000000 ] - [ -0.1231987200000000, 0.0000000000000000, 0.0236657300000000 ] - [ 0.0041302100000000, 0.0000000000000000, -0.0006748800000000 ] - [ 0.0004886400000000, 0.0000000000000000, -0.0022264600000000 ] - [ 0.0008267700000000, 0.0000000000000000, -0.0009444000000000 ] - [ -0.0005656300000000, 0.0000000000000000, -0.0008604500000000 ] - [ 0.0024542700000000, 0.0000000000000000, 0.0012837600000000 ] - [ -0.0014864500000000, 0.0000000000000000, -0.0013950500000000 ] - [ 0.0018140500000000, 0.0000000000000000, 0.0002638500000000 ] - [ 0.0000286500000000, 0.0015856800000000, 0.0001865300000000 ] - [ 0.0014245500000000, 0.0014169400000000, 0.0003862400000000 ] - [ -0.0050854500000000, -0.0055883800000000, -0.0001037600000000 ] - [ 0.0016206200000000, 0.0020783900000000, 0.0008224100000000 ] - [ 0.0000286500000000, -0.0015856800000000, 0.0001865300000000 ] - [ 0.0014245500000000, -0.0014169400000000, 0.0003862400000000 ] - [ -0.0050854500000000, 0.0055883800000000, -0.0001037600000000 ] - [ 0.0016206200000000, -0.0020783900000000, 0.0008224100000000 ] - [ 0.0019243800000000, 0.0025006300000000, 0.0001809300000000 ] - [ 0.0058976400000000, -0.0040549000000000, -0.0090746400000000 ] - [ -0.0004922900000000, 0.0015458000000000, -0.0014047600000000 ] - [ -0.0007458900000000, 0.0009166600000000, -0.0006858100000000 ] - [ 0.0019243800000000, -0.0025006300000000, 0.0001809300000000 ] - [ 0.0058976400000000, 0.0040549000000000, -0.0090746400000000 ] - [ -0.0004922900000000, -0.0015458000000000, -0.0014047600000000 ] - [ -0.0007458900000000, -0.0009166600000000, -0.0006858100000000 ] - [ 0.0014008300000000, 0.0000000000000000, 0.0017684900000000 ] - [ 0.0041864800000000, 0.0000000000000000, -0.0052947100000000 ] - [ -0.0002215400000000, 0.0000000000000000, -0.0005331500000000 ] - [ -0.0025551900000000, 0.0000000000000000, 0.0018693700000000 ] - [ -0.0001209000000000, 0.0000000000000000, 0.0015277300000000 ] - [ -0.0002071500000000, 0.0000000000000000, -0.0006317600000000 ] - [ 0.0015511300000000, 0.0000000000000000, 0.0004914500000000 ] - [ -0.0044437900000000, 0.0000000000000000, 0.0015542300000000 ] - [ 0.0004086400000000, -0.0006128800000000, 0.0006417800000000 ] - [ -0.0004568100000000, -0.0008480900000000, 0.0001758400000000 ] - [ 0.0038656100000000, 0.0012438400000000, -0.0009667900000000 ] - [ -0.0011353400000000, -0.0010228800000000, 0.0002108900000000 ] - [ 0.0004086400000000, 0.0006128800000000, 0.0006417800000000 ] - [ -0.0004568100000000, 0.0008480900000000, 0.0001758400000000 ] - [ 0.0038656100000000, -0.0012438400000000, -0.0009667900000000 ] - [ -0.0011353400000000, 0.0010228800000000, 0.0002108900000000 ] - [ -0.0105067900000000, 0.0000000000000000, 0.0254997900000000 ] - [ -0.0016958000000000, 0.0000000000000000, 0.0000228700000000 ] - [ 0.0013830100000000, 0.0000000000000000, 0.0010488800000000 ] - [ -0.0005372600000000, 0.0000000000000000, 0.0006736400000000 ] - [ 0.0024461000000000, 0.0000000000000000, -0.0002722100000000 ] - [ -0.0015085400000000, 0.0000000000000000, -0.0013800900000000 ] - [ 0.0011004900000000, 0.0000000000000000, 0.0012136300000000 ] - [ -0.0000651900000000, 0.0000000000000000, -0.0005826000000000 ] - [ 0.0002634100000000, -0.0001966800000000, 0.0000846800000000 ] - [ -0.0019671500000000, -0.0005373700000000, -0.0001717400000000 ] - [ 0.0005025800000000, 0.0022838200000000, 0.0021537200000000 ] - [ -0.0013177500000000, -0.0006241700000000, -0.0003191600000000 ] - [ 0.0002634100000000, 0.0001966800000000, 0.0000846800000000 ] - [ -0.0019671500000000, 0.0005373700000000, -0.0001717400000000 ] - [ 0.0005025800000000, -0.0022838200000000, 0.0021537200000000 ] - [ -0.0013177500000000, 0.0006241700000000, -0.0003191600000000 ] - [ 0.2311364800000000, 0.0000000000000000, -0.0872209700000000 ] - [ -0.0033942200000000, 0.0000000000000000, -0.0000710700000000 ] - [ -0.0004951200000000, 0.0000000000000000, 0.0010425700000000 ] - [ -0.0011597900000000, 0.0000000000000000, -0.0001744600000000 ] - [ 0.0011030000000000, 0.0010075300000000, 0.0002992700000000 ] - [ -0.0010928000000000, 0.0006331100000000, 0.0000413900000000 ] - [ 0.0007182200000000, -0.0082070500000000, 0.0088042700000000 ] - [ -0.0014291700000000, 0.0008829300000000, -0.0007767300000000 ] - [ 0.0011030000000000, -0.0010075300000000, 0.0002992700000000 ] - [ -0.0010928000000000, -0.0006331100000000, 0.0000413900000000 ] - [ 0.0007182200000000, 0.0082070500000000, 0.0088042700000000 ] - [ -0.0014291700000000, -0.0008829300000000, -0.0007767300000000 ] - [ -0.0011370800000000, -0.0021107000000000, -0.0003187100000000 ] - [ -0.0032881200000000, 0.0047518000000000, 0.0003806300000000 ] - [ 0.0001273000000000, -0.0007955100000000, 0.0005664300000000 ] - [ 0.0001650900000000, -0.0004453800000000, 0.0003009500000000 ] - [ -0.0011370800000000, 0.0021107000000000, -0.0003187100000000 ] - [ -0.0032881200000000, -0.0047518000000000, 0.0003806300000000 ] - [ 0.0001273000000000, 0.0007955100000000, 0.0005664300000000 ] - [ 0.0001650900000000, 0.0004453800000000, 0.0003009500000000 ] - [ 0.0007254200000000, 0.0000000000000000, 0.0001967200000000 ] - [ 0.0003536800000000, 0.0000000000000000, 0.0012474000000000 ] - [ -0.0008503800000000, 0.0000000000000000, 0.0007952700000000 ] - [ 0.0032218100000000, 0.0000000000000000, -0.0020536900000000 ] - [ -0.0009145700000000, -0.0005792000000000, -0.0015924900000000 ] - [ -0.0017095300000000, 0.0000873000000000, 0.0039030700000000 ] - [ 0.0003652400000000, -0.0004434500000000, 0.0007726600000000 ] - [ 0.0010323800000000, -0.0000910000000000, -0.0003966900000000 ] - [ -0.0009145700000000, 0.0005792000000000, -0.0015924900000000 ] - [ -0.0017095300000000, -0.0000873000000000, 0.0039030700000000 ] - [ 0.0003652400000000, 0.0004434500000000, 0.0007726600000000 ] - [ 0.0010323800000000, 0.0000910000000000, -0.0003966900000000 ] - [ -0.0010818100000000, 0.0000000000000000, -0.0009537900000000 ] - [ -0.0004667200000000, 0.0000000000000000, 0.0055074500000000 ] - [ -0.0016278900000000, 0.0000000000000000, 0.0005923900000000 ] - [ 0.0016496400000000, 0.0000000000000000, -0.0059794000000000 ] - [ -0.0008537400000000, 0.0000000000000000, -0.0010755400000000 ] - [ 0.0007199100000000, 0.0000000000000000, 0.0006271600000000 ] - [ -0.0008870900000000, 0.0000000000000000, -0.0001507700000000 ] - [ 0.0017239200000000, 0.0000000000000000, -0.0006225200000000 ] - [ -0.0022849500000000, -0.0004529300000000, -0.0004486700000000 ] - [ -0.0357453400000000, 0.0222179900000000, 0.0105560600000000 ] - [ -0.0003371700000000, -0.0005656900000000, 0.0001125300000000 ] - [ 0.0000372800000000, -0.0005771900000000, 0.0004224500000000 ] - [ -0.0022849500000000, 0.0004529300000000, -0.0004486700000000 ] - [ -0.0357453400000000, -0.0222179900000000, 0.0105560600000000 ] - [ -0.0003371700000000, 0.0005656900000000, 0.0001125300000000 ] - [ 0.0000372800000000, 0.0005771900000000, 0.0004224500000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001192700000000, 0.0012203500000000, 0.0007401400000000 ] - [ -0.0003365100000000, -0.0001113600000000, 0.0001682600000000 ] - [ -0.0000994800000000, -0.0000572800000000, 0.0000481100000000 ] - [ -0.0000769500000000, -0.0000574400000000, 0.0001879100000000 ] - [ -0.0003310000000000, 0.0009013500000000, -0.0004051000000000 ] - [ 0.0001729000000000, -0.0000020700000000, 0.0002042200000000 ] - [ -0.0000709200000000, 0.0000496500000000, 0.0003204800000000 ] - [ -0.0000911800000000, 0.0000513300000000, 0.0001832800000000 ] - [ -0.0003313200000000, 0.0028951100000000, 0.0001693300000000 ] - [ -0.0003189600000000, 0.0003694600000000, 0.0001681600000000 ] - [ -0.0003235800000000, 0.0009501700000000, 0.0001659300000000 ] - [ -0.0003213600000000, 0.0000730500000000, 0.0001683100000000 ] - [ 0.0003227700000000, -0.0007338000000000, -0.0001647400000000 ] - [ 0.0003241700000000, -0.0004709900000000, -0.0001692600000000 ] - [ 0.0003237100000000, -0.0004158800000000, -0.0001692100000000 ] - [ 0.0003226400000000, -0.0000751500000000, -0.0001681400000000 ] - [ 0.0000169000000000, -0.0000489700000000, -0.0003305300000000 ] - [ 0.0001265800000000, -0.0000642600000000, -0.0003989600000000 ] - [ -0.0006677600000000, -0.0000685900000000, -0.0000994300000000 ] - [ 0.0009393300000000, -0.0002448100000000, 0.0010899900000000 ] - [ 0.0001515000000000, 0.0000606200000000, -0.0000390800000000 ] - [ 0.0000456300000000, 0.0000482100000000, 0.0000243300000000 ] - [ 0.0008425400000000, 0.0000387800000000, -0.0002763800000000 ] - [ -0.0007735400000000, -0.0001295300000000, -0.0014580900000000 ] - [ 0.0002737600000000, 0.0004856700000000, 0.0000787900000000 ] - [ 0.0002761600000000, 0.0001320400000000, 0.0000873900000000 ] - [ 0.0002347400000000, 0.0149291200000000, -0.0002760800000000 ] - [ 0.0002778900000000, 0.0004930000000000, 0.0000826200000000 ] - [ -0.0002732100000000, -0.0022976000000000, -0.0000890000000000 ] - [ -0.0002938400000000, -0.0039877600000000, -0.0000834300000000 ] - [ -0.0002763800000000, -0.0001874400000000, -0.0000836700000000 ] - [ -0.0002793500000000, -0.0000322100000000, -0.0000881600000000 ] - [ 0.0001277300000000, 0.0451595400000000, -0.0008134800000000 ] - [ 0.0004136400000000, 0.0011095400000000, -0.0008390300000000 ] - [ 0.0004071800000000, 0.0000987000000000, -0.0008410800000000 ] - [ 0.0004077200000000, 0.0001395600000000, -0.0008406400000000 ] - [ 0.0010060500000000, -0.0019203200000000, 0.0002220600000000 ] - [ 0.0010120600000000, -0.0003081400000000, 0.0002203100000000 ] - [ 0.0010086600000000, -0.0022643600000000, 0.0002122700000000 ] - [ 0.0010102800000000, -0.0001565400000000, 0.0002166600000000 ] - [ 0.0004779200000000, 0.0015593000000000, 0.0015659600000000 ] - [ 0.0006578300000000, 0.0012135800000000, 0.0007154700000000 ] - [ -0.0005674200000000, -0.0021115800000000, -0.0018898200000000 ] - [ 0.0006182100000000, 0.0010293300000000, 0.0004512000000000 ] - [ 0.0008808400000000, -0.0008749100000000, -0.0003494100000000 ] - [ 0.0007053500000000, -0.0012096600000000, 0.0004945200000000 ] - [ 0.0019364700000000, -0.0045340400000000, 0.0030788200000000 ] - [ 0.0007453100000000, -0.0013963900000000, 0.0007587900000000 ] - [ -0.0021693800000000, 0.0019318800000000, -0.0009183600000000 ] - [ 0.0030563900000000, -0.0022069500000000, -0.0071578100000000 ] - [ -0.0007539800000000, 0.0011621700000000, -0.0004407600000000 ] - [ -0.0005643700000000, 0.0011942300000000, -0.0005732500000000 ] - [ 0.0008223300000000, -0.0004870400000000, -0.0002807100000000 ] - [ -0.0043752500000000, -0.0046122200000000, 0.0059210700000000 ] - [ -0.0006055300000000, -0.0012608600000000, -0.0007719700000000 ] - [ -0.0007961700000000, -0.0012234500000000, -0.0006344600000000 ] - [ -0.0010060600000000, 0.0016918900000000, -0.0002126900000000 ] - [ -0.0009709200000000, 0.0015774700000000, -0.0002334000000000 ] - [ -0.0010079000000000, 0.0004144700000000, -0.0002180600000000 ] - [ -0.0010136800000000, -0.0005099300000000, -0.0002013400000000 ] - [ -0.0004059800000000, -0.0001194200000000, 0.0008422500000000 ] - [ -0.0004068500000000, -0.0005309200000000, 0.0008407000000000 ] - [ -0.0004025700000000, -0.0002467000000000, 0.0008391500000000 ] - [ -0.0004194300000000, -0.0044244800000000, 0.0008385300000000 ] - [ 0.0003959700000000, -0.0004197000000000, -0.0001296200000000 ] - [ 0.0001131500000000, -0.0005441800000000, 0.0001140100000000 ] - [ 0.0011724500000000, 0.0026880400000000, 0.0015415900000000 ] - [ 0.0001468000000000, -0.0004455800000000, 0.0002015100000000 ] - [ -0.0002540200000000, 0.0008180100000000, 0.0004235300000000 ] - [ 0.0000242700000000, 0.0006923000000000, 0.0001786400000000 ] - [ -0.0010244100000000, 0.0039111400000000, -0.0012304900000000 ] - [ -0.0000099200000000, 0.0007914500000000, 0.0000930300000000 ] - [ 0.0000215900000000, -0.0072032600000000, 0.0005413300000000 ] - [ 0.0000880400000000, -0.0005299300000000, 0.0004467600000000 ] - [ 0.0000931800000000, -0.0003335700000000, 0.0004462000000000 ] - [ 0.0000896900000000, -0.0001186000000000, 0.0004498400000000 ] - [ 0.0002337500000000, 0.0025363000000000, -0.0005294500000000 ] - [ 0.0002224600000000, 0.0004347700000000, -0.0005292700000000 ] - [ 0.0002273600000000, 0.0004058100000000, -0.0005231700000000 ] - [ 0.0002268100000000, 0.0000555000000000, -0.0005250700000000 ] - [ -0.0005629700000000, 0.0006659100000000, -0.0010759300000000 ] - [ -0.0008176500000000, -0.0001989900000000, -0.0001697000000000 ] - [ -0.0006619800000000, 0.0017774200000000, 0.0017582400000000 ] - [ -0.0009188500000000, -0.0002050300000000, -0.0000093400000000 ] - [ -0.0012873700000000, 0.0013242400000000, 0.0008432600000000 ] - [ -0.0010410000000000, 0.0004576900000000, -0.0000552200000000 ] - [ -0.0011946200000000, 0.0024292400000000, -0.0019718500000000 ] - [ -0.0009362600000000, 0.0004502300000000, -0.0002136900000000 ] - [ -0.0004504400000000, -0.0703963700000000, 0.0000435700000000 ] - [ -0.0006898600000000, -0.0003973400000000, -0.0002359600000000 ] - [ -0.0006857400000000, -0.0001392000000000, -0.0002340600000000 ] - [ -0.0006881200000000, -0.0000421800000000, -0.0002339700000000 ] - [ -0.0002048200000000, 0.0002907300000000, 0.0001589000000000 ] - [ -0.0002312200000000, 0.0005690600000000, -0.0000888700000000 ] - [ 0.0019106500000000, 0.0020074000000000, -0.0056489200000000 ] - [ -0.0004281100000000, 0.0005441300000000, -0.0003375700000000 ] - [ -0.0000817100000000, -0.0009905300000000, -0.0004541600000000 ] - [ -0.0000597600000000, -0.0007049700000000, -0.0002111700000000 ] - [ -0.0022171100000000, 0.0007470100000000, 0.0053969300000000 ] - [ 0.0001326300000000, -0.0007292400000000, 0.0000383000000000 ] - [ 0.0019708200000000, 0.0006095400000000, 0.0004483500000000 ] - [ -0.0013803000000000, 0.0033295100000000, 0.0006351700000000 ] - [ 0.0002290300000000, -0.0005360300000000, 0.0000924500000000 ] - [ 0.0001537400000000, -0.0006270100000000, 0.0001652100000000 ] - [ -0.0016940900000000, 0.0018852400000000, -0.0001519100000000 ] - [ 0.0016595500000000, 0.0045886200000000, -0.0003356200000000 ] - [ 0.0000618700000000, 0.0007402000000000, 0.0002083100000000 ] - [ 0.0001375400000000, 0.0006416400000000, 0.0001320600000000 ] - [ 0.0006856300000000, 0.0001103400000000, 0.0002344500000000 ] - [ 0.0006876600000000, 0.0001454800000000, 0.0002370500000000 ] - [ 0.0006832200000000, 0.0005542500000000, 0.0002376200000000 ] - [ 0.0006928200000000, 0.0013919300000000, 0.0002329300000000 ] - [ 0.0017177100000000, -0.0010701100000000, 0.0007155900000000 ] - [ 0.0005285600000000, -0.0017028400000000, 0.0033669100000000 ] - [ 0.0011574800000000, -0.0004786200000000, -0.0000554800000000 ] - [ 0.0010099500000000, -0.0005590900000000, 0.0003794700000000 ] - [ 0.0001316700000000, -0.0004211000000000, -0.0005033000000000 ] - [ 0.0013033900000000, -0.0010584300000000, -0.0031453100000000 ] - [ 0.0006962700000000, 0.0001756400000000, 0.0002810700000000 ] - [ 0.0008434100000000, 0.0000889400000000, -0.0001657800000000 ] - [ -0.0002276800000000, -0.0003159200000000, 0.0005204000000000 ] - [ -0.0002304600000000, -0.0003951700000000, 0.0005364100000000 ] - [ -0.0002269300000000, -0.0002564100000000, 0.0005250000000000 ] - [ -0.0002225600000000, -0.0023976900000000, 0.0004936900000000 ] - [ -0.0000925600000000, 0.0002271800000000, -0.0004505500000000 ] - [ -0.0000885300000000, 0.0005651100000000, -0.0004506300000000 ] - [ -0.0000914700000000, 0.0001100500000000, -0.0004475100000000 ] - [ -0.0000881000000000, 0.0012334200000000, -0.0004438700000000 ] - [ 0.0005840600000000, -0.0013154200000000, -0.0002220300000000 ] - [ -0.0298835600000000, 0.0060564800000000, 0.0077952200000000 ] - [ 0.0000176200000000, -0.0006856600000000, -0.0002055200000000 ] - [ -0.0000814800000000, -0.0006756100000000, -0.0001142100000000 ] - [ -0.0007329400000000, -0.0000826800000000, -0.0000724600000000 ] - [ 0.0299190300000000, 0.0072228200000000, -0.0080632400000000 ] - [ -0.0001587900000000, 0.0005490800000000, -0.0000875300000000 ] - [ -0.0000580900000000, 0.0005580500000000, -0.0001800200000000 ]- atom: 89 displacement: [ -0.0015728055973509, 0.0000000000000000, 0.0098755396081906 ] forces: - [ -0.0015661000000000, 0.0006815100000000, 0.0048683600000000 ] - [ 0.0006362500000000, -0.0000076400000000, 0.0007488700000000 ] - [ 0.0001949500000000, 0.0000586000000000, -0.0014019800000000 ] - [ -0.0002906000000000, -0.0000804200000000, -0.0002701700000000 ] - [ -0.0015661000000000, -0.0006815100000000, 0.0048683600000000 ] - [ 0.0006362500000000, 0.0000076400000000, 0.0007488700000000 ] - [ 0.0001949500000000, -0.0000586000000000, -0.0014019800000000 ] - [ -0.0002906000000000, 0.0000804200000000, -0.0002701700000000 ] - [ -0.0037744300000000, 0.0000000000000000, -0.0014578000000000 ] - [ 0.0009526000000000, 0.0000000000000000, 0.0000358200000000 ] - [ 0.0009382800000000, 0.0000000000000000, -0.0022799500000000 ] - [ -0.0012377500000000, 0.0000000000000000, -0.0000458300000000 ] - [ -0.0004276900000000, 0.0000000000000000, 0.0000466300000000 ] - [ 0.0008784000000000, 0.0000000000000000, -0.0006050100000000 ] - [ 0.0013820100000000, 0.0000000000000000, -0.0007480100000000 ] - [ -0.0001843400000000, 0.0000000000000000, -0.0001343900000000 ] - [ -0.0004373300000000, -0.0002267200000000, -0.0008298500000000 ] - [ 0.0006612200000000, -0.0005615400000000, -0.0015284800000000 ] - [ 0.0020414400000000, 0.0004191300000000, 0.0004076000000000 ] - [ -0.0015694100000000, 0.0008822200000000, 0.0016577600000000 ] - [ -0.0004373300000000, 0.0002267200000000, -0.0008298500000000 ] - [ 0.0006612200000000, 0.0005615400000000, -0.0015284800000000 ] - [ 0.0020414400000000, -0.0004191300000000, 0.0004076000000000 ] - [ -0.0015694100000000, -0.0008822200000000, 0.0016577600000000 ] - [ -0.0006409400000000, 0.0000000000000000, -0.0061134200000000 ] - [ 0.0004090200000000, 0.0000000000000000, -0.0013108900000000 ] - [ -0.0140618700000000, 0.0000000000000000, 0.1318470400000000 ] - [ 0.0009430900000000, 0.0000000000000000, 0.0018346000000000 ] - [ 0.0000677500000000, 0.0000000000000000, 0.0019477500000000 ] - [ -0.0017600200000000, 0.0000000000000000, 0.0038512700000000 ] - [ -0.0000203100000000, 0.0000000000000000, -0.0015205700000000 ] - [ -0.0003887600000000, 0.0000000000000000, -0.0028823200000000 ] - [ -0.0467370900000000, 0.0000000000000000, 0.0682168500000000 ] - [ 0.0010219600000000, 0.0000000000000000, 0.0001534900000000 ] - [ 0.0017926000000000, 0.0000000000000000, -0.0051117800000000 ] - [ 0.0007054000000000, 0.0000000000000000, -0.0015860200000000 ] - [ 0.0017860400000000, 0.0000000000000000, 0.0012583100000000 ] - [ 0.0013706200000000, 0.0000000000000000, 0.0008793200000000 ] - [ -0.0014070400000000, 0.0000000000000000, -0.0024907900000000 ] - [ 0.0011631200000000, 0.0000000000000000, -0.0002933000000000 ] - [ 0.0013123200000000, 0.0024776900000000, -0.0013614300000000 ] - [ 0.0009709100000000, 0.0013352200000000, 0.0000615600000000 ] - [ -0.0050574200000000, -0.0075233700000000, -0.0008220900000000 ] - [ 0.0007501700000000, 0.0013242200000000, 0.0009847900000000 ] - [ 0.0013123200000000, -0.0024776900000000, -0.0013614300000000 ] - [ 0.0009709100000000, -0.0013352200000000, 0.0000615600000000 ] - [ -0.0050574200000000, 0.0075233700000000, -0.0008220900000000 ] - [ 0.0007501700000000, -0.0013242200000000, 0.0009847900000000 ] - [ -0.0014158000000000, 0.0003008400000000, 0.0022595300000000 ] - [ 0.0023231400000000, -0.0029038100000000, -0.0016085700000000 ] - [ -0.0002708800000000, 0.0016992700000000, -0.0021187700000000 ] - [ -0.0001372500000000, 0.0022152700000000, -0.0032125000000000 ] - [ -0.0014158000000000, -0.0003008400000000, 0.0022595300000000 ] - [ 0.0023231400000000, 0.0029038100000000, -0.0016085700000000 ] - [ -0.0002708800000000, -0.0016992700000000, -0.0021187700000000 ] - [ -0.0001372500000000, -0.0022152700000000, -0.0032125000000000 ] - [ -0.0021278400000000, 0.0000000000000000, -0.0007442300000000 ] - [ 0.0128687900000000, 0.0000000000000000, -0.0051105500000000 ] - [ -0.0000966000000000, 0.0000000000000000, -0.0002636900000000 ] - [ -0.0006338600000000, 0.0000000000000000, -0.0099040800000000 ] - [ -0.0003135000000000, 0.0000000000000000, 0.0005564700000000 ] - [ 0.0011809700000000, 0.0000000000000000, -0.0007159500000000 ] - [ 0.0003840700000000, 0.0000000000000000, 0.0009192800000000 ] - [ -0.0048885400000000, 0.0000000000000000, 0.0014363600000000 ] - [ -0.0008433200000000, -0.0012062700000000, 0.0014087400000000 ] - [ -0.0000849000000000, -0.0007557700000000, 0.0005630100000000 ] - [ 0.0033030600000000, 0.0022642600000000, -0.0013360200000000 ] - [ -0.0002951700000000, -0.0006657200000000, -0.0002026000000000 ] - [ -0.0008433200000000, 0.0012062700000000, 0.0014087400000000 ] - [ -0.0000849000000000, 0.0007557700000000, 0.0005630100000000 ] - [ 0.0033030600000000, -0.0022642600000000, -0.0013360200000000 ] - [ -0.0002951700000000, 0.0006657200000000, -0.0002026000000000 ] - [ -0.0437832900000000, 0.0000000000000000, 0.0416179300000000 ] - [ 0.0003871600000000, 0.0000000000000000, -0.0002757000000000 ] - [ -0.0003547400000000, 0.0000000000000000, 0.0048838700000000 ] - [ -0.0003856700000000, 0.0000000000000000, 0.0010398600000000 ] - [ 0.0004847800000000, 0.0000000000000000, -0.0021649300000000 ] - [ -0.0002306700000000, 0.0000000000000000, -0.0013253100000000 ] - [ 0.0009737300000000, 0.0000000000000000, 0.0023130100000000 ] - [ 0.0002677700000000, 0.0000000000000000, 0.0000480000000000 ] - [ -0.0009735500000000, -0.0012656400000000, 0.0006488300000000 ] - [ -0.0013608200000000, -0.0004108100000000, 0.0000320300000000 ] - [ 0.0003559400000000, 0.0028477700000000, 0.0030168500000000 ] - [ -0.0008065400000000, -0.0003859800000000, -0.0001981700000000 ] - [ -0.0009735500000000, 0.0012656400000000, 0.0006488300000000 ] - [ -0.0013608200000000, 0.0004108100000000, 0.0000320300000000 ] - [ 0.0003559400000000, -0.0028477700000000, 0.0030168500000000 ] - [ -0.0008065400000000, 0.0003859800000000, -0.0001981700000000 ] - [ 0.1242262800000000, 0.0000000000000000, -0.2643464600000000 ] - [ -0.0012729100000000, 0.0000000000000000, -0.0012646100000000 ] - [ -0.0019296000000000, 0.0000000000000000, 0.0030703300000000 ] - [ -0.0008256500000000, 0.0000000000000000, 0.0007182500000000 ] - [ 0.0003196400000000, 0.0015495100000000, 0.0018099900000000 ] - [ -0.0005043400000000, 0.0006936700000000, 0.0004070000000000 ] - [ -0.0036157800000000, -0.0099446500000000, 0.0085328700000000 ] - [ -0.0001392000000000, 0.0006299000000000, -0.0008027000000000 ] - [ 0.0003196400000000, -0.0015495100000000, 0.0018099900000000 ] - [ -0.0005043400000000, -0.0006936700000000, 0.0004070000000000 ] - [ -0.0036157800000000, 0.0099446500000000, 0.0085328700000000 ] - [ -0.0001392000000000, -0.0006299000000000, -0.0008027000000000 ] - [ 0.0001582700000000, -0.0001966900000000, -0.0013526100000000 ] - [ -0.0012329700000000, 0.0023778100000000, -0.0008774200000000 ] - [ -0.0000158900000000, -0.0008991000000000, 0.0010458600000000 ] - [ 0.0004638500000000, -0.0013709900000000, 0.0013435000000000 ] - [ 0.0001582700000000, 0.0001966900000000, -0.0013526100000000 ] - [ -0.0012329700000000, -0.0023778100000000, -0.0008774200000000 ] - [ -0.0000158900000000, 0.0008991000000000, 0.0010458600000000 ] - [ 0.0004638500000000, 0.0013709900000000, 0.0013435000000000 ] - [ 0.0007259000000000, 0.0000000000000000, 0.0010584100000000 ] - [ -0.0003746100000000, 0.0000000000000000, 0.0021163200000000 ] - [ -0.0001115800000000, 0.0000000000000000, -0.0007051900000000 ] - [ 0.0033688600000000, 0.0000000000000000, -0.0024057200000000 ] - [ 0.0027133000000000, 0.0004857500000000, -0.0007042800000000 ] - [ -0.0026462100000000, 0.0020864100000000, -0.0001362600000000 ] - [ 0.0000087100000000, -0.0005848700000000, 0.0011505300000000 ] - [ 0.0018927200000000, -0.0023158800000000, 0.0037230600000000 ] - [ 0.0027133000000000, -0.0004857500000000, -0.0007042800000000 ] - [ -0.0026462100000000, -0.0020864100000000, -0.0001362600000000 ] - [ 0.0000087100000000, 0.0005848700000000, 0.0011505300000000 ] - [ 0.0018927200000000, 0.0023158800000000, 0.0037230600000000 ] - [ 0.0002222300000000, 0.0000000000000000, 0.0012441900000000 ] - [ -0.0025462500000000, 0.0000000000000000, 0.0074291000000000 ] - [ -0.0013365300000000, 0.0000000000000000, 0.0000179000000000 ] - [ 0.0066642900000000, 0.0000000000000000, 0.0165831800000000 ] - [ -0.0001859200000000, 0.0000000000000000, -0.0004069100000000 ] - [ -0.0006151500000000, 0.0000000000000000, 0.0003326400000000 ] - [ -0.0004424200000000, 0.0000000000000000, -0.0003997600000000 ] - [ 0.0016830900000000, 0.0000000000000000, -0.0001106500000000 ] - [ -0.0002807400000000, -0.0006988300000000, -0.0014938500000000 ] - [ -0.0104960800000000, 0.0063016700000000, -0.0063413600000000 ] - [ -0.0003708900000000, -0.0005452900000000, 0.0006761700000000 ] - [ -0.0005713300000000, -0.0007306700000000, 0.0018860000000000 ] - [ -0.0002807400000000, 0.0006988300000000, -0.0014938500000000 ] - [ -0.0104960800000000, -0.0063016700000000, -0.0063413600000000 ] - [ -0.0003708900000000, 0.0005452900000000, 0.0006761700000000 ] - [ -0.0005713300000000, 0.0007306700000000, 0.0018860000000000 ]- atom: 89 displacement: [ 0.0015728055973509, 0.0000000000000000, -0.0098755396081906 ] forces: - [ 0.0013817600000000, -0.0007855500000000, -0.0044661700000000 ] - [ -0.0007979900000000, -0.0001004900000000, -0.0003712000000000 ] - [ -0.0003627400000000, -0.0001674700000000, 0.0017640000000000 ] - [ 0.0001189300000000, -0.0000283900000000, 0.0006398300000000 ] - [ 0.0013817600000000, 0.0007855500000000, -0.0044661700000000 ] - [ -0.0007979900000000, 0.0001004900000000, -0.0003712000000000 ] - [ -0.0003627400000000, 0.0001674700000000, 0.0017640000000000 ] - [ 0.0001189300000000, 0.0000283900000000, 0.0006398300000000 ] - [ 0.0030571000000000, 0.0000000000000000, 0.0015817300000000 ] - [ -0.0015893800000000, 0.0000000000000000, 0.0002960000000000 ] - [ -0.0015730300000000, 0.0000000000000000, 0.0025953600000000 ] - [ 0.0005833400000000, 0.0000000000000000, 0.0003812700000000 ] - [ 0.0010696300000000, 0.0000000000000000, -0.0003854600000000 ] - [ -0.0002277800000000, 0.0000000000000000, 0.0002608600000000 ] - [ -0.0007265300000000, 0.0000000000000000, 0.0004084300000000 ] - [ 0.0008262200000000, 0.0000000000000000, -0.0001980700000000 ] - [ 0.0006071100000000, 0.0001174800000000, 0.0004522300000000 ] - [ -0.0004896800000000, 0.0004521100000000, 0.0011448500000000 ] - [ -0.0018523900000000, -0.0005213700000000, -0.0007741500000000 ] - [ 0.0017280600000000, -0.0009843200000000, -0.0020032100000000 ] - [ 0.0006071100000000, -0.0001174800000000, 0.0004522300000000 ] - [ -0.0004896800000000, -0.0004521100000000, 0.0011448500000000 ] - [ -0.0018523900000000, 0.0005213700000000, -0.0007741500000000 ] - [ 0.0017280600000000, 0.0009843200000000, -0.0020032100000000 ] - [ 0.0011885300000000, 0.0000000000000000, 0.0062550800000000 ] - [ 0.0001395800000000, 0.0000000000000000, 0.0014722000000000 ] - [ 0.0135069000000000, 0.0000000000000000, -0.1233105700000000 ] - [ -0.0003812400000000, 0.0000000000000000, -0.0016492000000000 ] - [ -0.0006240200000000, 0.0000000000000000, -0.0020953600000000 ] - [ 0.0011925200000000, 0.0000000000000000, -0.0039826400000000 ] - [ -0.0005288300000000, 0.0000000000000000, 0.0013412200000000 ] - [ -0.0001625100000000, 0.0000000000000000, 0.0026934800000000 ] - [ 0.0508024700000000, 0.0000000000000000, -0.0707268900000000 ] - [ -0.0002048200000000, 0.0000000000000000, -0.0018289500000000 ] - [ -0.0009724200000000, 0.0000000000000000, 0.0034024700000000 ] - [ 0.0001126300000000, 0.0000000000000000, -0.0000980800000000 ] - [ 0.0002292200000000, 0.0000000000000000, -0.0008388900000000 ] - [ 0.0006505200000000, 0.0000000000000000, -0.0004442600000000 ] - [ 0.0034027800000000, 0.0000000000000000, 0.0029086700000000 ] - [ 0.0008572900000000, 0.0000000000000000, 0.0007269400000000 ] - [ 0.0000518800000000, -0.0000614900000000, 0.0025555400000000 ] - [ 0.0003924600000000, 0.0010848900000000, 0.0011399100000000 ] - [ 0.0063483900000000, 0.0098581300000000, 0.0020235200000000 ] - [ 0.0006117000000000, 0.0011000100000000, 0.0002311100000000 ] - [ 0.0000518800000000, 0.0000614900000000, 0.0025555400000000 ] - [ 0.0003924600000000, -0.0010848900000000, 0.0011399100000000 ] - [ 0.0063483900000000, -0.0098581300000000, 0.0020235200000000 ] - [ 0.0006117000000000, -0.0011000100000000, 0.0002311100000000 ] - [ 0.0000389700000000, 0.0021145900000000, -0.0034547900000000 ] - [ -0.0036276800000000, 0.0052833100000000, 0.0003128500000000 ] - [ -0.0010847900000000, 0.0007258400000000, 0.0008984100000000 ] - [ -0.0012229900000000, 0.0002164200000000, 0.0019863500000000 ] - [ 0.0000389700000000, -0.0021145900000000, -0.0034547900000000 ] - [ -0.0036276800000000, -0.0052833100000000, 0.0003128500000000 ] - [ -0.0010847900000000, -0.0007258400000000, 0.0008984100000000 ] - [ -0.0012229900000000, -0.0002164200000000, 0.0019863500000000 ] - [ 0.0001010600000000, 0.0000000000000000, 0.0003019100000000 ] - [ -0.0148406600000000, 0.0000000000000000, 0.0045835400000000 ] - [ -0.0019106100000000, 0.0000000000000000, -0.0001673200000000 ] - [ -0.0013758500000000, 0.0000000000000000, 0.0094053900000000 ] - [ -0.0004965500000000, 0.0000000000000000, 0.0011176500000000 ] - [ -0.0019884900000000, 0.0000000000000000, 0.0023781400000000 ] - [ -0.0011900800000000, 0.0000000000000000, 0.0007647300000000 ] - [ 0.0040369500000000, 0.0000000000000000, 0.0002540900000000 ] - [ 0.0009802200000000, -0.0000305100000000, -0.0011096200000000 ] - [ 0.0002216600000000, -0.0004824400000000, -0.0002678600000000 ] - [ -0.0031295600000000, -0.0034740100000000, 0.0016004900000000 ] - [ 0.0004313100000000, -0.0005721900000000, 0.0004863800000000 ] - [ 0.0009802200000000, 0.0000305100000000, -0.0011096200000000 ] - [ 0.0002216600000000, 0.0004824400000000, -0.0002678600000000 ] - [ -0.0031295600000000, 0.0034740100000000, 0.0016004900000000 ] - [ 0.0004313100000000, 0.0005721900000000, 0.0004863800000000 ] - [ 0.0447064500000000, 0.0000000000000000, -0.0414981800000000 ] - [ -0.0002034000000000, 0.0000000000000000, 0.0011702500000000 ] - [ 0.0005350100000000, 0.0000000000000000, -0.0039544700000000 ] - [ 0.0005607300000000, 0.0000000000000000, -0.0001400800000000 ] - [ -0.0000279400000000, 0.0000000000000000, 0.0011238900000000 ] - [ 0.0006818000000000, 0.0000000000000000, 0.0002756500000000 ] - [ -0.0005128500000000, 0.0000000000000000, -0.0033377100000000 ] - [ 0.0001858100000000, 0.0000000000000000, -0.0010906000000000 ] - [ -0.0008820300000000, 0.0006141800000000, -0.0008546600000000 ] - [ -0.0004983500000000, -0.0002427400000000, -0.0002489800000000 ] - [ -0.0021948500000000, -0.0034691200000000, -0.0032078100000000 ] - [ -0.0010489100000000, -0.0002686000000000, -0.0000270700000000 ] - [ -0.0008820300000000, -0.0006141800000000, -0.0008546600000000 ] - [ -0.0004983500000000, 0.0002427400000000, -0.0002489800000000 ] - [ -0.0021948500000000, 0.0034691200000000, -0.0032078100000000 ] - [ -0.0010489100000000, 0.0002686000000000, -0.0000270700000000 ] - [ -0.1278558800000000, 0.0000000000000000, 0.2564479400000000 ] - [ -0.0001032800000000, 0.0000000000000000, 0.0007857900000000 ] - [ 0.0005525300000000, 0.0000000000000000, -0.0035204600000000 ] - [ -0.0005505100000000, 0.0000000000000000, -0.0011748900000000 ] - [ -0.0006088500000000, -0.0002754800000000, -0.0021013800000000 ] - [ 0.0002144800000000, 0.0005827200000000, -0.0007020800000000 ] - [ 0.0032065700000000, 0.0109895400000000, -0.0086398400000000 ] - [ -0.0001545200000000, 0.0006458900000000, 0.0004936200000000 ] - [ -0.0006088500000000, 0.0002754800000000, -0.0021013800000000 ] - [ 0.0002144800000000, -0.0005827200000000, -0.0007020800000000 ] - [ 0.0032065700000000, -0.0109895400000000, -0.0086398400000000 ] - [ -0.0001545200000000, -0.0006458900000000, 0.0004936200000000 ] - [ 0.0001413900000000, -0.0010724000000000, 0.0016455400000000 ] - [ 0.0014976500000000, -0.0036118400000000, 0.0011814900000000 ] - [ 0.0003040500000000, -0.0003816400000000, -0.0007383100000000 ] - [ -0.0001694700000000, 0.0000875500000000, -0.0010341600000000 ] - [ 0.0001413900000000, 0.0010724000000000, 0.0016455400000000 ] - [ 0.0014976500000000, 0.0036118400000000, 0.0011814900000000 ] - [ 0.0003040500000000, 0.0003816400000000, -0.0007383100000000 ] - [ -0.0001694700000000, -0.0000875500000000, -0.0010341600000000 ] - [ 0.0006412400000000, 0.0000000000000000, -0.0005820400000000 ] - [ 0.0017407200000000, 0.0000000000000000, -0.0016340800000000 ] - [ 0.0014759600000000, 0.0000000000000000, 0.0011635500000000 ] - [ -0.0019763800000000, 0.0000000000000000, 0.0028507700000000 ] - [ -0.0008460200000000, -0.0011339500000000, 0.0009309400000000 ] - [ 0.0044967500000000, -0.0027450600000000, 0.0004040400000000 ] - [ 0.0018392200000000, -0.0000697300000000, -0.0009216400000000 ] - [ -0.0000258500000000, 0.0016436900000000, -0.0034720300000000 ] - [ -0.0008460200000000, 0.0011339500000000, 0.0009309400000000 ] - [ 0.0044967500000000, 0.0027450600000000, 0.0004040400000000 ] - [ 0.0018392200000000, 0.0000697300000000, -0.0009216400000000 ] - [ -0.0000258500000000, -0.0016436900000000, -0.0034720300000000 ] - [ -0.0006753100000000, 0.0000000000000000, -0.0001962200000000 ] - [ 0.0021051400000000, 0.0000000000000000, -0.0063731400000000 ] - [ 0.0008731800000000, 0.0000000000000000, 0.0010154000000000 ] - [ -0.0069154700000000, 0.0000000000000000, -0.0152819800000000 ] - [ 0.0000038500000000, 0.0000000000000000, -0.0004839100000000 ] - [ 0.0004339200000000, 0.0000000000000000, -0.0012140400000000 ] - [ 0.0002599800000000, 0.0000000000000000, -0.0004994500000000 ] - [ -0.0018484500000000, 0.0000000000000000, -0.0007912900000000 ] - [ 0.0001425400000000, -0.0005404300000000, 0.0011964400000000 ] - [ 0.0100573800000000, -0.0073859900000000, 0.0061973300000000 ] - [ 0.0002270800000000, -0.0006903600000000, -0.0009592400000000 ] - [ 0.0004317100000000, -0.0005095100000000, -0.0021627400000000 ] - [ 0.0001425400000000, 0.0005404300000000, 0.0011964400000000 ] - [ 0.0100573800000000, 0.0073859900000000, 0.0061973300000000 ] - [ 0.0002270800000000, 0.0006903600000000, -0.0009592400000000 ] - [ 0.0004317100000000, 0.0005095100000000, -0.0021627400000000 ]- atom: 93 displacement: [ 0.0099999999923824, 0.0000000000000000, -0.0000003903221875 ] forces: - [ 0.0005379300000000, 0.0000226300000000, 0.0000990500000000 ] - [ -0.0006637700000000, -0.0000068500000000, 0.0001338300000000 ] - [ 0.0007871400000000, -0.0001726100000000, 0.0006780100000000 ] - [ -0.0007610300000000, 0.0000379500000000, 0.0000363800000000 ] - [ 0.0007860100000000, -0.0001502300000000, 0.0001376800000000 ] - [ -0.0007332200000000, -0.0000166200000000, 0.0001414600000000 ] - [ 0.0023474500000000, -0.0002055900000000, 0.0015145900000000 ] - [ -0.0010307100000000, -0.0001121800000000, -0.0000599300000000 ] - [ 0.0027081300000000, 0.0013214000000000, 0.0019032700000000 ] - [ -0.0016552200000000, 0.0000272500000000, -0.0000370500000000 ] - [ 0.0005319700000000, 0.0001561900000000, 0.0004322700000000 ] - [ -0.0009359100000000, 0.0000044800000000, 0.0000359700000000 ] - [ 0.0013277000000000, -0.0010921400000000, 0.0006715000000000 ] - [ -0.0006732300000000, 0.0000192700000000, -0.0005064500000000 ] - [ 0.0009165700000000, -0.0001981300000000, -0.0004186500000000 ] - [ -0.0001504100000000, 0.0000029900000000, -0.0000812700000000 ] - [ 0.0030164800000000, -0.0002359100000000, 0.0002302800000000 ] - [ -0.0022600300000000, 0.0000865400000000, -0.0000190200000000 ] - [ 0.0003027900000000, -0.0001003800000000, -0.0001266300000000 ] - [ -0.0001245000000000, -0.0000343300000000, -0.0003299500000000 ] - [ 0.0000492600000000, 0.0012857500000000, -0.0001624100000000 ] - [ -0.0010542400000000, -0.0005282900000000, 0.0000930800000000 ] - [ 0.0003090500000000, 0.0000980200000000, -0.0001285200000000 ] - [ -0.0001251500000000, 0.0000368200000000, -0.0003505500000000 ] - [ 0.0518613900000000, 0.0431413500000000, -0.0171005100000000 ] - [ -0.0029344400000000, 0.0001975800000000, -0.0005100200000000 ] - [ 0.0009828000000000, 0.0000651300000000, 0.0002158000000000 ] - [ -0.0005055300000000, 0.0000323500000000, -0.0000651600000000 ] - [ -0.0005322100000000, -0.0004182600000000, 0.0003633800000000 ] - [ -0.0003179900000000, 0.0000018800000000, -0.0010148100000000 ] - [ -0.0008428900000000, -0.0019451000000000, -0.0015964200000000 ] - [ -0.0016444400000000, 0.0003342100000000, 0.0020910600000000 ] - [ 0.0016220700000000, 0.0002250900000000, -0.0028921000000000 ] - [ -0.0006292500000000, 0.0005150000000000, 0.0000300400000000 ] - [ -0.0013716000000000, 0.0002915200000000, 0.0004445000000000 ] - [ -0.0012904000000000, 0.0016340100000000, -0.0017882600000000 ] - [ 0.0011947300000000, 0.0003222100000000, -0.0024245900000000 ] - [ -0.0001630100000000, -0.0001298900000000, 0.0004231700000000 ] - [ 0.0015204800000000, -0.0001177200000000, 0.0014670600000000 ] - [ 0.0004654100000000, -0.0000790000000000, -0.0006572000000000 ] - [ 0.0043014100000000, 0.0035940100000000, -0.0001950300000000 ] - [ -0.0004081600000000, 0.0009348500000000, 0.0010561500000000 ] - [ 0.0009886100000000, 0.0014594100000000, 0.0007737500000000 ] - [ 0.0003700400000000, 0.0009998000000000, 0.0004238500000000 ] - [ 0.1050121800000000, -0.0848615700000000, 0.0248817800000000 ] - [ -0.0008848500000000, -0.0007116500000000, 0.0012681300000000 ] - [ 0.0010486800000000, -0.0014771400000000, 0.0007314400000000 ] - [ 0.0003253200000000, -0.0009716100000000, 0.0003934800000000 ] - [ -0.0010115500000000, -0.0010058700000000, 0.0028783600000000 ] - [ -0.0006905200000000, 0.0019967300000000, -0.0022075300000000 ] - [ -0.0001563100000000, 0.0015423800000000, -0.0038149700000000 ] - [ -0.0017799000000000, 0.0016268800000000, 0.0003885200000000 ] - [ -0.0006911900000000, -0.0003120500000000, 0.0006891800000000 ] - [ -0.0005334800000000, -0.0020556500000000, -0.0021041400000000 ] - [ 0.0000710600000000, -0.0007829200000000, -0.0014620800000000 ] - [ -0.0015632300000000, -0.0014929400000000, 0.0002125300000000 ] - [ -0.0030335700000000, 0.0021387800000000, 0.0012640800000000 ] - [ -0.0013604900000000, -0.0000971200000000, -0.0079426600000000 ] - [ -0.0010495600000000, 0.0005997500000000, -0.0009584600000000 ] - [ -0.0015206700000000, -0.0001014800000000, 0.0003122600000000 ] - [ -0.0022643800000000, -0.0005084600000000, 0.0014769800000000 ] - [ -0.0076230500000000, 0.0089709900000000, -0.0046419500000000 ] - [ -0.0006396200000000, -0.0000359100000000, 0.0004819400000000 ] - [ -0.0001259300000000, -0.0000318100000000, 0.0010023300000000 ] - [ -0.0019614000000000, -0.0056762400000000, 0.0013402400000000 ] - [ 0.0013269400000000, -0.0000788000000000, -0.0001319400000000 ] - [ -0.0001992600000000, -0.0007305100000000, 0.0001477100000000 ] - [ 0.0003546300000000, -0.0004793400000000, 0.0002295000000000 ] - [ 0.0214969600000000, -0.0387951100000000, -0.0024958600000000 ] - [ 0.0016409000000000, 0.0005924400000000, -0.0002279400000000 ] - [ -0.0002503800000000, 0.0007716900000000, 0.0001705400000000 ] - [ 0.0003646000000000, 0.0005333700000000, 0.0002029500000000 ] - [ -0.0013194000000000, 0.0007243600000000, 0.0041014500000000 ] - [ 0.0015380600000000, -0.0004433000000000, -0.0006012600000000 ] - [ 0.0006801300000000, -0.0000408200000000, -0.0007571900000000 ] - [ 0.0004410300000000, -0.0004418400000000, 0.0013880100000000 ] - [ -0.0003219200000000, 0.0001802000000000, 0.0000502300000000 ] - [ 0.0006919700000000, 0.0000932500000000, -0.0006418000000000 ] - [ 0.0000538600000000, -0.0001604200000000, -0.0020452200000000 ] - [ 0.0008909500000000, 0.0002289100000000, 0.0002811000000000 ] - [ -0.0019950400000000, -0.0021968800000000, -0.0001182400000000 ] - [ -0.0000989400000000, -0.0002030100000000, -0.0002794000000000 ] - [ -0.0013530400000000, -0.0004566200000000, -0.0004899600000000 ] - [ -0.0005195900000000, -0.0001417400000000, 0.0001907000000000 ] - [ -0.0133803200000000, -0.0019467800000000, 0.0044321000000000 ] - [ -0.0000527100000000, 0.0003150100000000, -0.0004235800000000 ] - [ -0.0014378800000000, 0.0005275300000000, -0.0004300800000000 ] - [ -0.0005078000000000, 0.0001985200000000, 0.0001957200000000 ] - [ -0.0019333800000000, -0.0000620400000000, 0.0000371700000000 ] - [ 0.0002675600000000, -0.0000855700000000, -0.0004467000000000 ] - [ -0.0015467300000000, 0.0020663300000000, -0.0038277800000000 ] - [ 0.0006008800000000, -0.0002799600000000, -0.0000237500000000 ] - [ -0.1745627700000000, 0.0743674300000000, -0.0049924200000000 ] - [ 0.0015245200000000, 0.0006437200000000, -0.0001282900000000 ] - [ -0.0006922600000000, 0.0006518000000000, -0.0002935900000000 ] - [ 0.0003651000000000, 0.0006032600000000, 0.0000099000000000 ] - [ -0.0049482200000000, -0.0055959300000000, -0.0009399500000000 ] - [ 0.0015066200000000, -0.0008339200000000, -0.0001536600000000 ] - [ -0.0006198400000000, -0.0007030100000000, -0.0002998800000000 ] - [ 0.0003629000000000, -0.0006327100000000, 0.0000113600000000 ] - [ -0.0003642100000000, 0.0005700000000000, -0.0008089900000000 ] - [ 0.0006605700000000, -0.0010699500000000, 0.0007926700000000 ] - [ 0.0003371600000000, 0.0006279000000000, 0.0023473900000000 ] - [ 0.0010187300000000, -0.0006579700000000, -0.0002077900000000 ] - [ -0.0003311700000000, 0.0002774500000000, -0.0002661400000000 ] - [ 0.0006214000000000, 0.0011723000000000, 0.0008434000000000 ] - [ -0.0006463600000000, 0.0009244100000000, 0.0003829100000000 ] - [ 0.0009355700000000, 0.0005487400000000, -0.0002169800000000 ] - [ 0.0019622300000000, 0.0018269900000000, 0.0004501400000000 ] - [ 0.0041322000000000, -0.0015182000000000, -0.0005952700000000 ] - [ 0.0007022500000000, 0.0000835900000000, 0.0000751500000000 ] - [ 0.0006583400000000, 0.0000081000000000, 0.0005523800000000 ] - [ 0.0037402400000000, -0.0000923900000000, -0.0039725300000000 ] - [ 0.0016516900000000, -0.0011304900000000, 0.0021055900000000 ] - [ 0.0004544400000000, -0.0011435900000000, 0.0014996200000000 ] - [ 0.0014675500000000, -0.0002397600000000, -0.0005298900000000 ] - [ 0.0011032400000000, -0.0009558300000000, -0.0010271800000000 ] - [ 0.0017296300000000, 0.0016814600000000, 0.0028861700000000 ] - [ 0.0005360200000000, 0.0002214100000000, 0.0005617100000000 ] - [ 0.0013873900000000, 0.0002547500000000, -0.0004016200000000 ] - [ 0.0029928600000000, -0.0013131400000000, 0.0004681400000000 ] - [ 0.0078972200000000, 0.0055638100000000, 0.0043687800000000 ] - [ -0.0000237900000000, -0.0001187800000000, 0.0009603500000000 ] - [ -0.0003050600000000, 0.0000025800000000, 0.0001916300000000 ] - [ 0.0008068200000000, 0.0002809900000000, -0.0010463900000000 ] - [ -0.0004799700000000, -0.0010463300000000, 0.0026317800000000 ] - [ 0.0001429700000000, 0.0001025100000000, -0.0000155600000000 ] - [ -0.0001581600000000, 0.0000206400000000, -0.0008334400000000 ] - [ 0.0009307300000000, -0.0007177600000000, -0.0015156800000000 ] - [ -0.0003708400000000, -0.0007149100000000, 0.0006489300000000 ] - [ 0.0013656200000000, -0.0010969600000000, 0.0022261200000000 ] - [ 0.0008715800000000, -0.0007621200000000, -0.0012618300000000 ] - [ 0.0001868500000000, 0.0004012100000000, -0.0006443800000000 ] - [ -0.0003457800000000, 0.0008461800000000, 0.0008487200000000 ] - [ -0.0000164600000000, -0.0000915100000000, 0.0006229100000000 ] - [ 0.0006928300000000, 0.0010075600000000, -0.0009418000000000 ]- atom: 93 displacement: [ -0.0099999999923824, 0.0000000000000000, 0.0000003903221875 ] forces: - [ -0.0007121600000000, -0.0001297100000000, 0.0002831500000000 ] - [ 0.0004928400000000, -0.0000992400000000, 0.0002454400000000 ] - [ -0.0009609700000000, 0.0000711600000000, -0.0002991800000000 ] - [ 0.0005907000000000, -0.0001438900000000, 0.0003446200000000 ] - [ -0.0009611400000000, 0.0002591400000000, 0.0002401000000000 ] - [ 0.0005635200000000, 0.0001243100000000, 0.0002278800000000 ] - [ -0.0025094200000000, 0.0003004400000000, -0.0011592100000000 ] - [ 0.0008621300000000, 0.0002200200000000, 0.0004323100000000 ] - [ -0.0033677500000000, -0.0012924600000000, -0.0015333900000000 ] - [ 0.0010105800000000, -0.0000270700000000, 0.0003707800000000 ] - [ -0.0011814400000000, -0.0001557000000000, -0.0000989200000000 ] - [ 0.0002919000000000, -0.0000042800000000, 0.0003008300000000 ] - [ -0.0006921500000000, 0.0010969600000000, -0.0010138500000000 ] - [ 0.0013228300000000, -0.0000189800000000, 0.0001699100000000 ] - [ -0.0002715600000000, 0.0001981000000000, 0.0000835400000000 ] - [ 0.0007979600000000, -0.0000028800000000, -0.0002535600000000 ] - [ -0.0034289300000000, -0.0000036100000000, -0.0006847800000000 ] - [ 0.0024280400000000, -0.0001920600000000, -0.0003490300000000 ] - [ -0.0001326100000000, -0.0000063600000000, -0.0002435100000000 ] - [ 0.0002969900000000, -0.0000726000000000, -0.0000393700000000 ] - [ 0.0001196000000000, -0.0011850200000000, -0.0002180600000000 ] - [ 0.0012285800000000, 0.0006337400000000, -0.0004708300000000 ] - [ -0.0001378200000000, 0.0000079100000000, -0.0002511800000000 ] - [ 0.0002985900000000, 0.0000691900000000, -0.0000285400000000 ] - [ -0.0507972800000000, -0.0414664300000000, 0.0166269200000000 ] - [ 0.0034932000000000, -0.0001989700000000, 0.0006854000000000 ] - [ -0.0004314000000000, -0.0000645300000000, -0.0000503000000000 ] - [ 0.0010651500000000, -0.0000318300000000, 0.0002313800000000 ] - [ -0.0000228300000000, 0.0004190100000000, -0.0005339700000000 ] - [ -0.0002255100000000, -0.0000017500000000, 0.0008526000000000 ] - [ 0.0002903300000000, 0.0019492900000000, 0.0014405600000000 ] - [ 0.0010945400000000, -0.0003329300000000, -0.0022576000000000 ] - [ -0.0008064200000000, -0.0002243300000000, 0.0012230500000000 ] - [ 0.0014462000000000, -0.0005170300000000, -0.0017126400000000 ] - [ 0.0022165300000000, -0.0002982800000000, -0.0021253600000000 ] - [ 0.0021108400000000, -0.0016400800000000, 0.0001162400000000 ] - [ 0.0008796300000000, -0.0003765900000000, 0.0028774000000000 ] - [ 0.0021809100000000, 0.0001309400000000, 0.0000075900000000 ] - [ 0.0004947200000000, 0.0001174900000000, -0.0010314600000000 ] - [ 0.0015500100000000, 0.0000793500000000, 0.0010956800000000 ] - [ -0.0029145700000000, -0.0011536000000000, 0.0013912700000000 ] - [ 0.0017699700000000, 0.0014855800000000, 0.0001475900000000 ] - [ 0.0003700200000000, 0.0009632800000000, 0.0004343400000000 ] - [ 0.0009901500000000, 0.0014230900000000, 0.0007848500000000 ] - [ -0.1033652100000000, 0.0793556000000000, -0.0226725100000000 ] - [ 0.0022500300000000, -0.0017100000000000, -0.0000662600000000 ] - [ 0.0003100600000000, -0.0009449600000000, 0.0004763700000000 ] - [ 0.0010350600000000, -0.0014509700000000, 0.0008152600000000 ] - [ -0.0003492700000000, 0.0034369500000000, -0.0040974800000000 ] - [ -0.0006638000000000, 0.0004268800000000, 0.0009967700000000 ] - [ -0.0012127200000000, 0.0008873600000000, 0.0026213900000000 ] - [ 0.0004231500000000, 0.0007921600000000, -0.0015956500000000 ] - [ -0.0006700600000000, -0.0021130500000000, -0.0018995800000000 ] - [ -0.0008224000000000, -0.0003668400000000, 0.0008949900000000 ] - [ -0.0014348300000000, -0.0016412000000000, 0.0002596000000000 ] - [ 0.0002073900000000, -0.0009253300000000, -0.0014206200000000 ] - [ 0.0010234700000000, -0.0021477500000000, -0.0017093000000000 ] - [ -0.0006376600000000, 0.0000970500000000, 0.0074754000000000 ] - [ -0.0009669200000000, -0.0006004200000000, 0.0005271100000000 ] - [ -0.0004880400000000, 0.0001017900000000, -0.0007468300000000 ] - [ 0.0014544500000000, 0.0005134000000000, 0.0001974400000000 ] - [ 0.0067963600000000, -0.0089972500000000, 0.0062832400000000 ] - [ -0.0001760800000000, 0.0000362400000000, 0.0011972900000000 ] - [ -0.0006891800000000, 0.0000318400000000, 0.0006772500000000 ] - [ 0.0020866500000000, 0.0044111000000000, -0.0010463500000000 ] - [ -0.0011954400000000, -0.0011572300000000, 0.0004160100000000 ] - [ 0.0003346500000000, -0.0005038700000000, 0.0001332400000000 ] - [ -0.0002184500000000, -0.0007567900000000, 0.0000518700000000 ] - [ -0.0212088200000000, 0.0394340200000000, 0.0026421900000000 ] - [ -0.0015121600000000, 0.0006408800000000, 0.0005118900000000 ] - [ 0.0003853000000000, 0.0004626400000000, 0.0001103400000000 ] - [ -0.0002283600000000, 0.0007020600000000, 0.0000792400000000 ] - [ 0.0014820000000000, -0.0007216600000000, -0.0032005100000000 ] - [ -0.0013642100000000, 0.0004449600000000, 0.0015022100000000 ] - [ -0.0005121500000000, 0.0000411300000000, 0.0016594800000000 ] - [ -0.0002646800000000, 0.0004435800000000, -0.0004969900000000 ] - [ 0.0007631800000000, -0.0001728900000000, -0.0011223000000000 ] - [ -0.0002362200000000, -0.0000936500000000, -0.0004114100000000 ] - [ 0.0003978900000000, 0.0001606300000000, 0.0009879600000000 ] - [ -0.0004394500000000, -0.0002292900000000, -0.0013419200000000 ] - [ 0.0001313100000000, 0.0015674300000000, -0.0000969400000000 ] - [ -0.0017622100000000, -0.0004471000000000, 0.0000600100000000 ] - [ -0.0005044600000000, -0.0001923700000000, 0.0002667000000000 ] - [ -0.0013400500000000, -0.0005087600000000, -0.0004145600000000 ] - [ 0.0114059700000000, 0.0028025000000000, -0.0047441800000000 ] - [ -0.0018081600000000, 0.0003344800000000, 0.0002051600000000 ] - [ -0.0004194100000000, 0.0001219400000000, 0.0002074800000000 ] - [ -0.0013519500000000, 0.0004523700000000, -0.0004191700000000 ] - [ 0.0005679200000000, 0.0000612500000000, -0.0005074400000000 ] - [ -0.0016330400000000, 0.0000857800000000, -0.0000219400000000 ] - [ 0.0001428900000000, -0.0020617900000000, 0.0033513400000000 ] - [ -0.0019697600000000, 0.0002809600000000, -0.0004481000000000 ] - [ 0.1739424700000000, -0.0712288100000000, 0.0045830700000000 ] - [ -0.0018136300000000, 0.0006232500000000, -0.0001744300000000 ] - [ 0.0004056200000000, 0.0006188100000000, -0.0000109900000000 ] - [ -0.0006533100000000, 0.0006651300000000, -0.0003131300000000 ] - [ 0.0046592100000000, 0.0043114800000000, 0.0006406400000000 ] - [ -0.0017952500000000, -0.0004312000000000, -0.0001493900000000 ] - [ 0.0003332700000000, -0.0005677100000000, -0.0000053500000000 ] - [ -0.0006516700000000, -0.0006360600000000, -0.0003152500000000 ] - [ 0.0006553800000000, -0.0018431000000000, 0.0011164600000000 ] - [ -0.0003767100000000, -0.0002013000000000, -0.0004885400000000 ] - [ -0.0000383800000000, -0.0018994700000000, -0.0020491700000000 ] - [ -0.0007341900000000, -0.0006081800000000, 0.0005096000000000 ] - [ 0.0006208400000000, 0.0009931100000000, 0.0005720600000000 ] - [ -0.0003374400000000, 0.0001001000000000, -0.0005385300000000 ] - [ 0.0009383300000000, 0.0003441400000000, -0.0000810700000000 ] - [ -0.0006518700000000, 0.0007167300000000, 0.0005193000000000 ] - [ -0.0006032300000000, -0.0018380900000000, 0.0000188200000000 ] - [ -0.0027679600000000, 0.0015214700000000, 0.0010690400000000 ] - [ 0.0006635000000000, -0.0000832300000000, 0.0003934500000000 ] - [ 0.0007034300000000, -0.0000076200000000, -0.0000848500000000 ] - [ -0.0018976200000000, -0.0005555900000000, 0.0042215600000000 ] - [ 0.0002035900000000, 0.0004790800000000, -0.0018792500000000 ] - [ 0.0014080700000000, 0.0004942800000000, -0.0012829100000000 ] - [ 0.0003887100000000, -0.0004091600000000, 0.0007512100000000 ] - [ 0.0007573800000000, 0.0016091500000000, 0.0012550500000000 ] - [ 0.0001266600000000, -0.0010271800000000, -0.0026542700000000 ] - [ 0.0013255200000000, 0.0004289700000000, -0.0003425400000000 ] - [ 0.0004688000000000, 0.0003940800000000, 0.0006243800000000 ] - [ -0.0034564000000000, 0.0013213500000000, 0.0005879200000000 ] - [ -0.0082252400000000, -0.0054769500000000, -0.0032718800000000 ] - [ -0.0004309700000000, 0.0001192200000000, 0.0000922400000000 ] - [ -0.0001529800000000, -0.0000023900000000, 0.0008622000000000 ] - [ -0.0009863700000000, -0.0002826700000000, 0.0001553900000000 ] - [ 0.0002845300000000, 0.0010542700000000, -0.0035181100000000 ] - [ -0.0003182000000000, -0.0001025800000000, -0.0008818100000000 ] - [ -0.0000187700000000, -0.0000205700000000, -0.0000634600000000 ] - [ -0.0010682900000000, -0.0005178200000000, 0.0012392100000000 ] - [ 0.0002308200000000, -0.0005185900000000, -0.0009315800000000 ] - [ -0.0015065500000000, -0.0001367500000000, -0.0025235800000000 ] - [ -0.0010139500000000, -0.0004689600000000, 0.0009790300000000 ] - [ -0.0003215100000000, 0.0008358400000000, 0.0003639300000000 ] - [ 0.0002062000000000, 0.0003880300000000, -0.0011304100000000 ] - [ -0.0001191400000000, 0.0013300800000000, -0.0009093000000000 ] - [ -0.0008377500000000, 0.0002227800000000, 0.0006594000000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003085800000000, -0.0010505300000000, 0.0002077300000000 ] - [ -0.0000174800000000, -0.0002233500000000, 0.0002162500000000 ] - [ -0.0004959800000000, -0.0022238300000000, 0.0007964700000000 ] - [ 0.0000275800000000, -0.0002993300000000, 0.0001567100000000 ] - [ -0.0004161700000000, 0.0013391200000000, 0.0024364800000000 ] - [ -0.0000204900000000, 0.0002013700000000, 0.0002330500000000 ] - [ 0.0000215300000000, 0.0026103300000000, -0.0028573500000000 ] - [ -0.0000039600000000, 0.0002761800000000, 0.0001241100000000 ] - [ 0.0006302100000000, 0.0033937300000000, -0.0014515300000000 ] - [ -0.0007447800000000, 0.0001007800000000, -0.0001594700000000 ] - [ 0.0000334300000000, 0.0001480200000000, 0.0012906400000000 ] - [ -0.0003665300000000, 0.0000266400000000, 0.0002662700000000 ] - [ -0.0021060200000000, -0.0023216300000000, 0.0005175500000000 ] - [ 0.0012577700000000, -0.0001400100000000, 0.0003246500000000 ] - [ 0.0002399600000000, -0.0001906900000000, -0.0002444700000000 ] - [ 0.0004172900000000, -0.0000333300000000, -0.0001083800000000 ] - [ 0.0006605100000000, 0.0038081400000000, -0.0008010800000000 ] - [ 0.0014825100000000, 0.0028269800000000, -0.0001063800000000 ] - [ 0.0000432800000000, 0.0000848900000000, -0.0000220700000000 ] - [ 0.0000941800000000, 0.0002114500000000, -0.0000201600000000 ] - [ 0.0020854300000000, -0.0016742300000000, -0.0001106100000000 ] - [ -0.0006014400000000, -0.0019438300000000, -0.0001818900000000 ] - [ 0.0000850100000000, -0.0000658500000000, -0.0000565600000000 ] - [ 0.0000715700000000, -0.0002192500000000, -0.0000657800000000 ] - [ 0.0374246600000000, 0.0607110600000000, -0.0209109500000000 ] - [ 0.0009790300000000, 0.0001664600000000, 0.0002070100000000 ] - [ 0.0005504200000000, 0.0001487900000000, 0.0002332700000000 ] - [ 0.0004215200000000, 0.0000413200000000, 0.0002212300000000 ] - [ -0.0007225600000000, -0.0005971700000000, 0.0003403200000000 ] - [ 0.0024517700000000, -0.0000170600000000, 0.0019050100000000 ] - [ -0.0007494200000000, -0.0014062700000000, -0.0016583500000000 ] - [ 0.0015363600000000, -0.0007663600000000, -0.0033810100000000 ] - [ 0.0004332100000000, 0.0007592400000000, -0.0043687300000000 ] - [ 0.0003110600000000, 0.0003014300000000, -0.0011538000000000 ] - [ -0.0077611800000000, 0.0017349900000000, 0.0011173100000000 ] - [ 0.0009080500000000, 0.0003840900000000, -0.0004394000000000 ] - [ 0.0072439500000000, -0.0184528100000000, 0.0047060800000000 ] - [ 0.0006909700000000, -0.0000904200000000, 0.0003506200000000 ] - [ 0.0006393500000000, -0.0001336000000000, -0.0009613400000000 ] - [ 0.0010065100000000, -0.0000590000000000, 0.0000973900000000 ] - [ -0.0096492800000000, -0.0132041400000000, -0.0059155100000000 ] - [ 0.0006310000000000, 0.0003004700000000, 0.0003257500000000 ] - [ 0.0002938800000000, 0.0006338600000000, 0.0008910200000000 ] - [ 0.0006616300000000, 0.0010538500000000, 0.0007017900000000 ] - [ -0.0745323900000000, 0.1795029400000000, -0.0444897900000000 ] - [ 0.0005432500000000, -0.0003836500000000, 0.0003678700000000 ] - [ 0.0002952900000000, -0.0005679800000000, 0.0008337100000000 ] - [ 0.0006494600000000, -0.0010572600000000, 0.0006944900000000 ] - [ -0.0013985500000000, 0.0025145700000000, -0.0010216000000000 ] - [ -0.0003469000000000, 0.0031336200000000, -0.0011059500000000 ] - [ -0.0014007200000000, 0.0035117900000000, -0.0004888600000000 ] - [ -0.0014532700000000, 0.0024713300000000, -0.0005631300000000 ] - [ -0.0007076300000000, -0.0023463600000000, -0.0017582400000000 ] - [ -0.0008664600000000, -0.0034397200000000, -0.0018048900000000 ] - [ -0.0007010500000000, -0.0019822400000000, 0.0000768900000000 ] - [ -0.0021006400000000, -0.0028514300000000, 0.0000477700000000 ] - [ -0.0004059800000000, 0.0009180000000000, -0.0015623500000000 ] - [ -0.0038182100000000, 0.0008130200000000, -0.0078900700000000 ] - [ -0.0008795700000000, 0.0003207900000000, 0.0002087100000000 ] - [ -0.0024883100000000, 0.0001252900000000, 0.0004638000000000 ] - [ -0.0016785300000000, -0.0001057200000000, 0.0010414000000000 ] - [ 0.0059338400000000, -0.0196203600000000, 0.0033544600000000 ] - [ -0.0005849300000000, -0.0000234200000000, 0.0009636000000000 ] - [ -0.0008013100000000, -0.0001486900000000, 0.0012466000000000 ] - [ 0.0052382600000000, 0.0095446800000000, -0.0003592600000000 ] - [ 0.0005240500000000, 0.0000549700000000, 0.0001447700000000 ] - [ 0.0004006800000000, -0.0001827600000000, -0.0002331200000000 ] - [ 0.0001218500000000, -0.0005023100000000, 0.0000603400000000 ] - [ -0.0414787300000000, 0.0353644500000000, 0.0059079100000000 ] - [ 0.0004322000000000, 0.0002317000000000, 0.0001805700000000 ] - [ 0.0002878600000000, 0.0003177200000000, -0.0002837100000000 ] - [ 0.0001132500000000, 0.0005489500000000, 0.0000407400000000 ] - [ 0.0018074700000000, -0.0000203100000000, 0.0064489500000000 ] - [ -0.0000588800000000, -0.0002410900000000, 0.0009935900000000 ] - [ 0.0025866400000000, -0.0002722700000000, -0.0020065400000000 ] - [ -0.0000061100000000, -0.0001242700000000, 0.0001407300000000 ] - [ -0.0022258100000000, 0.0034322100000000, -0.0061024800000000 ] - [ 0.0003400600000000, 0.0001016400000000, -0.0006306100000000 ] - [ 0.0000413500000000, 0.0006261800000000, 0.0012254900000000 ] - [ 0.0003260100000000, 0.0001316400000000, -0.0002163800000000 ] - [ 0.0006042200000000, 0.0102831900000000, 0.0052146800000000 ] - [ -0.0009824400000000, 0.0001093700000000, 0.0000704500000000 ] - [ -0.0006417800000000, 0.0001650300000000, -0.0000299600000000 ] - [ -0.0009380900000000, -0.0002088500000000, -0.0001178000000000 ] - [ -0.0138561000000000, 0.0366203000000000, -0.0370954900000000 ] - [ -0.0010152200000000, 0.0000194300000000, 0.0000154000000000 ] - [ -0.0007556700000000, 0.0000270600000000, 0.0000888900000000 ] - [ -0.0009504700000000, 0.0002545500000000, -0.0001249800000000 ] - [ -0.0010533300000000, -0.0003502500000000, 0.0006317800000000 ] - [ -0.0006789200000000, -0.0000685700000000, -0.0001744300000000 ] - [ 0.0081760600000000, 0.0013664800000000, -0.0094318400000000 ] - [ -0.0009285700000000, -0.0000936900000000, -0.0002779500000000 ] - [ 0.0674061700000000, -0.3334000500000000, 0.0975508800000000 ] - [ -0.0001295800000000, -0.0001706500000000, -0.0000152700000000 ] - [ -0.0001251900000000, 0.0000829600000000, -0.0002735400000000 ] - [ -0.0001716200000000, 0.0004794500000000, -0.0002275600000000 ] - [ 0.0047946200000000, 0.0295806900000000, 0.0039770300000000 ] - [ 0.0000610400000000, 0.0001052200000000, -0.0000075900000000 ] - [ -0.0000732900000000, -0.0002151900000000, -0.0002611800000000 ] - [ -0.0001430000000000, -0.0005066600000000, -0.0002217200000000 ] - [ 0.0013472500000000, -0.0010639800000000, -0.0003159800000000 ] - [ -0.0002910400000000, -0.0018959500000000, 0.0001091800000000 ] - [ 0.0014079500000000, -0.0014825200000000, 0.0016688600000000 ] - [ 0.0001151300000000, -0.0017546400000000, 0.0007152700000000 ] - [ 0.0004995800000000, 0.0015433700000000, 0.0002902000000000 ] - [ -0.0003923800000000, 0.0023857200000000, 0.0002672900000000 ] - [ -0.0001509600000000, 0.0018833400000000, 0.0000454800000000 ] - [ 0.0002236000000000, 0.0021308300000000, 0.0007232100000000 ] - [ 0.0021480100000000, 0.0012490400000000, 0.0009062100000000 ] - [ -0.0047102900000000, 0.0039475600000000, 0.0023937100000000 ] - [ 0.0008403700000000, 0.0001024500000000, -0.0000015100000000 ] - [ 0.0004943500000000, 0.0000074700000000, -0.0005329300000000 ] - [ 0.0010557900000000, -0.0021055000000000, 0.0008563200000000 ] - [ 0.0016291100000000, -0.0026407000000000, 0.0018436700000000 ] - [ 0.0008085700000000, -0.0009980000000000, 0.0001844300000000 ] - [ 0.0014420000000000, -0.0008550900000000, 0.0001720500000000 ] - [ 0.0000827600000000, 0.0008087800000000, 0.0012457700000000 ] - [ 0.0018774500000000, 0.0023492900000000, 0.0026865600000000 ] - [ 0.0007277400000000, 0.0003234200000000, -0.0002830000000000 ] - [ 0.0015234800000000, 0.0007088700000000, -0.0001901100000000 ] - [ -0.0017514400000000, -0.0002829000000000, 0.0008522900000000 ] - [ 0.0111894300000000, 0.0021242200000000, 0.0049899500000000 ] - [ -0.0003168200000000, -0.0000707600000000, 0.0002497200000000 ] - [ 0.0000261000000000, -0.0000529800000000, -0.0000069400000000 ] - [ 0.0004930200000000, 0.0001829000000000, -0.0005158600000000 ] - [ -0.0035065200000000, 0.0054944200000000, -0.0023882700000000 ] - [ -0.0000519500000000, 0.0000731300000000, -0.0004898900000000 ] - [ -0.0000591300000000, 0.0000626500000000, -0.0003206300000000 ] - [ 0.0003102100000000, -0.0011231900000000, -0.0000883700000000 ] - [ 0.0001775900000000, -0.0019593500000000, 0.0005218700000000 ] - [ -0.0001387500000000, -0.0015902500000000, -0.0007722500000000 ] - [ 0.0014479000000000, -0.0028784600000000, -0.0001721200000000 ] - [ -0.0001547900000000, 0.0007307200000000, 0.0002109900000000 ] - [ 0.0002783400000000, 0.0016564900000000, 0.0009256800000000 ] - [ -0.0005200100000000, 0.0008654800000000, -0.0007540100000000 ] - [ 0.0022222300000000, 0.0020981400000000, -0.0009339200000000 ]- atom: 93 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001390000000000, 0.0009476200000000, 0.0001644700000000 ] - [ -0.0001529200000000, 0.0001157300000000, 0.0001600000000000 ] - [ 0.0003232800000000, 0.0021236100000000, -0.0004119000000000 ] - [ -0.0001979000000000, 0.0001920700000000, 0.0002203500000000 ] - [ 0.0002508600000000, -0.0012392000000000, -0.0020758000000000 ] - [ -0.0001496400000000, -0.0000926800000000, 0.0001331600000000 ] - [ -0.0001774000000000, -0.0025261400000000, 0.0032097100000000 ] - [ -0.0001669800000000, -0.0001681600000000, 0.0002427900000000 ] - [ -0.0013220100000000, -0.0032969500000000, 0.0019182800000000 ] - [ 0.0000994800000000, -0.0001013200000000, 0.0004961900000000 ] - [ -0.0006821400000000, -0.0001473000000000, -0.0009599800000000 ] - [ -0.0002802800000000, -0.0000266000000000, 0.0000692500000000 ] - [ 0.0027687700000000, 0.0023234500000000, -0.0008601700000000 ] - [ -0.0006152700000000, 0.0001408000000000, -0.0006636500000000 ] - [ 0.0004081600000000, 0.0001889700000000, -0.0000916500000000 ] - [ 0.0002287600000000, 0.0000331500000000, -0.0002274500000000 ] - [ -0.0004818900000000, -0.0039084700000000, 0.0004366600000000 ] - [ -0.0013156200000000, -0.0029538000000000, -0.0002606600000000 ] - [ 0.0001256000000000, -0.0001958700000000, -0.0003443500000000 ] - [ 0.0000747800000000, -0.0003222100000000, -0.0003474400000000 ] - [ -0.0019030700000000, 0.0017817300000000, -0.0002643100000000 ] - [ 0.0007710200000000, 0.0020647800000000, -0.0001956100000000 ] - [ 0.0000850200000000, 0.0001751100000000, -0.0003197900000000 ] - [ 0.0000983500000000, 0.0003287600000000, -0.0003111100000000 ] - [ -0.0341020600000000, -0.0578043900000000, 0.0195278600000000 ] - [ -0.0004342600000000, -0.0001655600000000, -0.0000368000000000 ] - [ 0.0000030500000000, -0.0001483500000000, -0.0000675300000000 ] - [ 0.0001317400000000, -0.0000410200000000, -0.0000546000000000 ] - [ 0.0001756700000000, 0.0005946200000000, -0.0005123300000000 ] - [ -0.0030218300000000, 0.0000174200000000, -0.0020830400000000 ] - [ 0.0001943100000000, 0.0013935900000000, 0.0015015400000000 ] - [ -0.0020908300000000, 0.0007679400000000, 0.0032307000000000 ] - [ 0.0003837700000000, -0.0007646100000000, 0.0027139100000000 ] - [ 0.0005020600000000, -0.0002984300000000, -0.0005207800000000 ] - [ 0.0086204200000000, -0.0017494600000000, -0.0028055200000000 ] - [ -0.0000944600000000, -0.0003750300000000, -0.0012354100000000 ] - [ -0.0052339500000000, 0.0184839000000000, -0.0042532500000000 ] - [ 0.0013232000000000, 0.0000899200000000, 0.0000859400000000 ] - [ 0.0013774200000000, 0.0001324700000000, 0.0014062100000000 ] - [ 0.0010054000000000, 0.0000584200000000, 0.0003418600000000 ] - [ 0.0109784200000000, 0.0156203600000000, 0.0071178700000000 ] - [ 0.0007276000000000, 0.0021227500000000, 0.0008804700000000 ] - [ 0.0010664100000000, 0.0017897200000000, 0.0003145400000000 ] - [ 0.0006961200000000, 0.0013665100000000, 0.0005046400000000 ] - [ 0.0828212600000000, -0.1918105900000000, 0.0499156500000000 ] - [ 0.0008129200000000, -0.0020380000000000, 0.0008394900000000 ] - [ 0.0010659900000000, -0.0018559000000000, 0.0003708100000000 ] - [ 0.0007080000000000, -0.0013628300000000, 0.0005115200000000 ] - [ 0.0000419800000000, -0.0001088800000000, -0.0001702000000000 ] - [ -0.0010136800000000, -0.0007249200000000, -0.0000964800000000 ] - [ 0.0000381600000000, -0.0010885000000000, -0.0007264900000000 ] - [ 0.0000993200000000, -0.0000589800000000, -0.0006426500000000 ] - [ -0.0006475600000000, -0.0000698100000000, 0.0005513800000000 ] - [ -0.0004936100000000, 0.0010330500000000, 0.0006060000000000 ] - [ -0.0006564000000000, -0.0004333900000000, -0.0012770900000000 ] - [ 0.0007483100000000, 0.0004399400000000, -0.0012561900000000 ] - [ -0.0016118200000000, -0.0009042200000000, 0.0011235500000000 ] - [ 0.0018218200000000, -0.0008146600000000, 0.0074913700000000 ] - [ -0.0011345400000000, -0.0003168800000000, -0.0006481300000000 ] - [ 0.0004847200000000, -0.0001246500000000, -0.0009064000000000 ] - [ 0.0008697500000000, 0.0001032000000000, 0.0006332600000000 ] - [ -0.0067346200000000, 0.0196563600000000, -0.0016857400000000 ] - [ -0.0002296500000000, 0.0000231900000000, 0.0007115700000000 ] - [ -0.0000098800000000, 0.0001485600000000, 0.0004271200000000 ] - [ -0.0050810300000000, -0.0107791400000000, 0.0006271900000000 ] - [ -0.0003909300000000, -0.0012924300000000, 0.0001347700000000 ] - [ -0.0002666700000000, -0.0010551400000000, 0.0005124100000000 ] - [ 0.0000161900000000, -0.0007329700000000, 0.0002170000000000 ] - [ 0.0422206200000000, -0.0343453800000000, -0.0057060300000000 ] - [ -0.0002963500000000, 0.0010078500000000, 0.0000968500000000 ] - [ -0.0001545200000000, 0.0009195500000000, 0.0005645000000000 ] - [ 0.0000248700000000, 0.0006859900000000, 0.0002370000000000 ] - [ -0.0016381600000000, 0.0000076600000000, -0.0055747900000000 ] - [ 0.0002345300000000, 0.0002379600000000, -0.0001033800000000 ] - [ -0.0024251100000000, 0.0002731400000000, 0.0029052700000000 ] - [ 0.0001802800000000, 0.0001216300000000, 0.0007510300000000 ] - [ 0.0026971600000000, -0.0034513900000000, 0.0050905500000000 ] - [ 0.0001102300000000, -0.0001014400000000, -0.0004262300000000 ] - [ 0.0004135900000000, -0.0006268400000000, -0.0022889900000000 ] - [ 0.0001354700000000, -0.0001301500000000, -0.0008406100000000 ] - [ -0.0024625000000000, -0.0109311300000000, -0.0054132600000000 ] - [ -0.0008790300000000, -0.0007618600000000, -0.0002900700000000 ] - [ -0.0012213800000000, -0.0008169000000000, -0.0001914200000000 ] - [ -0.0009233500000000, -0.0004412300000000, -0.0001012600000000 ] - [ 0.0122118200000000, -0.0362303000000000, 0.0374289400000000 ] - [ -0.0008453500000000, 0.0006330500000000, -0.0002356700000000 ] - [ -0.0011080600000000, 0.0006252300000000, -0.0003091100000000 ] - [ -0.0009111700000000, 0.0003960600000000, -0.0000935200000000 ] - [ -0.0003115000000000, 0.0003497100000000, -0.0010996000000000 ] - [ -0.0006855200000000, 0.0000677100000000, -0.0002881600000000 ] - [ -0.0095314700000000, -0.0013872100000000, 0.0089392600000000 ] - [ -0.0004359200000000, 0.0000916900000000, -0.0001863200000000 ] - [ -0.0783032400000000, 0.3417380000000000, -0.1011349900000000 ] - [ -0.0001523200000000, 0.0014412300000000, -0.0002898800000000 ] - [ -0.0001608200000000, 0.0011887300000000, -0.0000318000000000 ] - [ -0.0001109200000000, 0.0007914900000000, -0.0000778600000000 ] - [ -0.0051175100000000, -0.0304701600000000, -0.0042715900000000 ] - [ -0.0003438000000000, -0.0013764800000000, -0.0002977900000000 ] - [ -0.0002117200000000, -0.0010570000000000, -0.0000446400000000 ] - [ -0.0001402800000000, -0.0007654800000000, -0.0000845100000000 ] - [ -0.0010660700000000, -0.0001938500000000, 0.0006192600000000 ] - [ 0.0005790400000000, 0.0006337800000000, 0.0001960300000000 ] - [ -0.0011174800000000, 0.0002223800000000, -0.0013558300000000 ] - [ 0.0001695200000000, 0.0004917200000000, -0.0004144000000000 ] - [ -0.0002164300000000, -0.0002798300000000, 0.0000159300000000 ] - [ 0.0006813100000000, -0.0011266800000000, 0.0000368300000000 ] - [ 0.0004315900000000, -0.0006102100000000, 0.0002557300000000 ] - [ 0.0000603600000000, -0.0008697900000000, -0.0004226000000000 ] - [ -0.0007924800000000, -0.0012448000000000, -0.0004497000000000 ] - [ 0.0061204200000000, -0.0039700900000000, -0.0019441500000000 ] - [ 0.0005240000000000, -0.0001015900000000, 0.0004733700000000 ] - [ 0.0008714800000000, -0.0000069400000000, 0.0010033700000000 ] - [ 0.0008223900000000, 0.0014584200000000, -0.0006544400000000 ] - [ 0.0002305600000000, 0.0020000500000000, -0.0016328400000000 ] - [ 0.0010547000000000, 0.0003449100000000, 0.0000372300000000 ] - [ 0.0004169000000000, 0.0002072900000000, 0.0000466700000000 ] - [ 0.0017749100000000, -0.0001661800000000, -0.0010241300000000 ] - [ -0.0000216000000000, -0.0017115200000000, -0.0024848200000000 ] - [ 0.0011356500000000, 0.0003232100000000, 0.0004992300000000 ] - [ 0.0003348200000000, -0.0000618100000000, 0.0004107900000000 ] - [ 0.0012989300000000, 0.0002764500000000, 0.0002022900000000 ] - [ -0.0116137900000000, -0.0021562200000000, -0.0039433000000000 ] - [ -0.0001428000000000, 0.0000698900000000, 0.0008052700000000 ] - [ -0.0004868600000000, 0.0000529500000000, 0.0010669600000000 ] - [ -0.0006681200000000, -0.0001819400000000, -0.0003736200000000 ] - [ 0.0033354100000000, -0.0055010700000000, 0.0014987100000000 ] - [ -0.0001189600000000, -0.0000726000000000, -0.0003996700000000 ] - [ -0.0001139300000000, -0.0000626500000000, -0.0005714200000000 ] - [ -0.0004436400000000, -0.0001117300000000, -0.0001940900000000 ] - [ -0.0003157200000000, 0.0007302900000000, -0.0008015000000000 ] - [ 0.0000066600000000, 0.0003508400000000, 0.0004988100000000 ] - [ -0.0015911100000000, 0.0016527100000000, -0.0001063000000000 ] - [ 0.0000168600000000, 0.0005024200000000, -0.0004877100000000 ] - [ -0.0004174600000000, -0.0004263800000000, -0.0012083600000000 ] - [ 0.0003795900000000, 0.0003663300000000, 0.0004741900000000 ] - [ -0.0023714200000000, -0.0008717500000000, 0.0006592700000000 ]- atom: 93 displacement: [ -0.0015728055973509, 0.0000000000000000, 0.0098755396081906 ] forces: - [ 0.0000822900000000, 0.0000470000000000, -0.0004321000000000 ] - [ -0.0001265700000000, -0.0000671800000000, 0.0000245400000000 ] - [ -0.0001630600000000, 0.0010485900000000, 0.0001986200000000 ] - [ -0.0000476400000000, -0.0000178800000000, 0.0003465500000000 ] - [ 0.0000079200000000, 0.0000254000000000, -0.0021587800000000 ] - [ -0.0000775700000000, 0.0000896100000000, 0.0000125400000000 ] - [ 0.0019039700000000, -0.0026175100000000, -0.0032034800000000 ] - [ -0.0001628500000000, -0.0000191900000000, 0.0003467900000000 ] - [ -0.0003060400000000, -0.0004980100000000, 0.0033663100000000 ] - [ -0.0003279200000000, -0.0000246400000000, 0.0004748700000000 ] - [ -0.0006219600000000, 0.0001045000000000, -0.0013308300000000 ] - [ -0.0001925400000000, 0.0000072100000000, -0.0000760100000000 ] - [ 0.0020180000000000, 0.0014184200000000, -0.0001089600000000 ] - [ 0.0000938500000000, 0.0000215800000000, 0.0002238600000000 ] - [ 0.0003430800000000, -0.0001966100000000, -0.0007564900000000 ] - [ 0.0003648200000000, -0.0000034400000000, -0.0005444100000000 ] - [ -0.0003659000000000, -0.0004957600000000, 0.0030021700000000 ] - [ 0.0005421400000000, -0.0002575300000000, 0.0006662900000000 ] - [ 0.0001382700000000, -0.0001209000000000, -0.0008764900000000 ] - [ 0.0000569300000000, -0.0001417100000000, -0.0008001200000000 ] - [ -0.0001119300000000, 0.0002260000000000, 0.0006153400000000 ] - [ 0.0003452800000000, 0.0003586900000000, 0.0005011000000000 ] - [ 0.0001203400000000, 0.0001118600000000, -0.0006980200000000 ] - [ 0.0000650200000000, 0.0001441500000000, -0.0007776600000000 ] - [ -0.0229814400000000, -0.0249660400000000, 0.0237003700000000 ] - [ 0.0006332300000000, 0.0000275600000000, 0.0013347100000000 ] - [ 0.0003748600000000, -0.0000345800000000, -0.0023262000000000 ] - [ 0.0001382700000000, -0.0000260600000000, -0.0009678600000000 ] - [ 0.0006851600000000, 0.0005620600000000, -0.0010819000000000 ] - [ -0.0018349800000000, -0.0000085900000000, -0.0015282700000000 ] - [ -0.0018352300000000, -0.0014027200000000, 0.0012326000000000 ] - [ -0.0000254600000000, -0.0000991400000000, 0.0002204700000000 ] - [ 0.0003613900000000, -0.0001032600000000, -0.0037774600000000 ] - [ 0.0011580600000000, -0.0004236100000000, -0.0011259300000000 ] - [ 0.0084391200000000, -0.0013198400000000, -0.0030299300000000 ] - [ -0.0006717900000000, 0.0008044800000000, -0.0010672900000000 ] - [ -0.0083582700000000, 0.0101900800000000, -0.0021928200000000 ] - [ 0.0014009200000000, 0.0000485600000000, 0.0005029500000000 ] - [ 0.0012781100000000, -0.0001134300000000, -0.0007291800000000 ] - [ 0.0007828600000000, -0.0000472900000000, -0.0003375700000000 ] - [ 0.0004053200000000, 0.0035637600000000, 0.0049309000000000 ] - [ 0.0007313600000000, 0.0014498200000000, 0.0012631100000000 ] - [ 0.0010394400000000, 0.0011027000000000, -0.0006116400000000 ] - [ 0.0007360400000000, 0.0010757000000000, -0.0000133500000000 ] - [ 0.0071676400000000, -0.0356884000000000, 0.0615810100000000 ] - [ 0.0007690100000000, -0.0014458900000000, 0.0013197300000000 ] - [ 0.0010928400000000, -0.0010168700000000, -0.0008318900000000 ] - [ 0.0007314800000000, -0.0010727600000000, -0.0000648100000000 ] - [ 0.0003390100000000, 0.0018341900000000, -0.0027826000000000 ] - [ -0.0017609900000000, 0.0012990700000000, -0.0004850000000000 ] - [ -0.0020725200000000, 0.0023179400000000, -0.0022841600000000 ] - [ 0.0005076800000000, 0.0004072200000000, -0.0016139200000000 ] - [ -0.0002442300000000, -0.0013079200000000, -0.0012345700000000 ] - [ -0.0014614400000000, -0.0012956500000000, -0.0001575500000000 ] - [ -0.0011015400000000, -0.0010472100000000, -0.0008047000000000 ] - [ 0.0003987000000000, -0.0004438600000000, -0.0016341400000000 ] - [ 0.0007353900000000, -0.0015853500000000, 0.0014905400000000 ] - [ -0.0045064700000000, -0.0007656600000000, 0.0049565300000000 ] - [ -0.0016835900000000, 0.0004609400000000, -0.0014264000000000 ] - [ 0.0003842200000000, 0.0001062500000000, -0.0020453800000000 ] - [ -0.0005624500000000, 0.0000941500000000, 0.0018159300000000 ] - [ 0.0001240200000000, -0.0032739900000000, 0.0050965400000000 ] - [ -0.0000187900000000, 0.0000011700000000, -0.0000290900000000 ] - [ 0.0000584700000000, 0.0000363800000000, -0.0003446200000000 ] - [ 0.0006850600000000, -0.0002545600000000, -0.0015698900000000 ] - [ 0.0000642400000000, -0.0007092300000000, -0.0003152100000000 ] - [ -0.0002845000000000, -0.0007391500000000, 0.0009647000000000 ] - [ -0.0000401000000000, -0.0006174700000000, 0.0005894100000000 ] - [ -0.0120896200000000, 0.0207773200000000, -0.0120258200000000 ] - [ 0.0000715800000000, 0.0006860200000000, -0.0003661200000000 ] - [ -0.0002907000000000, 0.0006963700000000, 0.0010986800000000 ] - [ -0.0000542800000000, 0.0006129000000000, 0.0006081100000000 ] - [ 0.0041226400000000, 0.0022692000000000, 0.0030172500000000 ] - [ -0.0007751800000000, 0.0003929100000000, 0.0003475000000000 ] - [ -0.0023354600000000, 0.0001257700000000, 0.0034004800000000 ] - [ 0.0004711900000000, -0.0002293700000000, 0.0009106200000000 ] - [ 0.0024559800000000, -0.0017918500000000, 0.0027918200000000 ] - [ -0.0000769700000000, -0.0000940400000000, -0.0005986200000000 ] - [ -0.0000950800000000, 0.0002160500000000, -0.0000690800000000 ] - [ 0.0006627900000000, 0.0001841500000000, -0.0003964500000000 ] - [ -0.0002326700000000, -0.0060059900000000, -0.0029248100000000 ] - [ -0.0010104600000000, -0.0005392500000000, -0.0005948600000000 ] - [ -0.0010682700000000, -0.0001785100000000, 0.0008224100000000 ] - [ -0.0009074900000000, -0.0001660300000000, 0.0003810700000000 ] - [ 0.0141227900000000, -0.0403076500000000, 0.0203868500000000 ] - [ -0.0009989000000000, 0.0004878900000000, -0.0006103700000000 ] - [ -0.0011870600000000, 0.0002443900000000, 0.0010190100000000 ] - [ -0.0009111600000000, 0.0001994000000000, 0.0003952200000000 ] - [ -0.0009328900000000, 0.0003121700000000, 0.0016076500000000 ] - [ -0.0010242200000000, 0.0000736100000000, 0.0003211800000000 ] - [ -0.0093474900000000, -0.0057287400000000, 0.0074417000000000 ] - [ -0.0002661200000000, -0.0001413600000000, -0.0008149100000000 ] - [ 0.0224474500000000, 0.0867521900000000, -0.1002313800000000 ] - [ -0.0003845600000000, 0.0007706200000000, -0.0006356100000000 ] - [ -0.0001978100000000, 0.0005147000000000, 0.0007792900000000 ] - [ -0.0000664500000000, 0.0005677500000000, 0.0002856800000000 ] - [ -0.0001699900000000, -0.0038867900000000, -0.0039687100000000 ] - [ -0.0004061600000000, -0.0007482300000000, -0.0006227600000000 ] - [ -0.0002153600000000, -0.0005189000000000, 0.0006783200000000 ] - [ -0.0000645900000000, -0.0005696200000000, 0.0002758200000000 ] - [ -0.0007247200000000, -0.0012893800000000, 0.0011382600000000 ] - [ 0.0006956100000000, -0.0006116300000000, 0.0002885700000000 ] - [ 0.0022785100000000, 0.0006468700000000, 0.0017831800000000 ] - [ -0.0003470500000000, -0.0000809000000000, 0.0001614500000000 ] - [ -0.0001941500000000, 0.0005588200000000, 0.0005316200000000 ] - [ 0.0007515000000000, 0.0004396900000000, 0.0001905800000000 ] - [ 0.0004984300000000, 0.0006984200000000, 0.0000674400000000 ] - [ -0.0003436300000000, 0.0000904200000000, 0.0001862500000000 ] - [ 0.0009496200000000, 0.0000098800000000, -0.0012216000000000 ] - [ -0.0001061400000000, 0.0007309100000000, -0.0006946400000000 ] - [ 0.0002673600000000, -0.0000700600000000, 0.0010850600000000 ] - [ 0.0005346300000000, 0.0000154100000000, 0.0013495000000000 ] - [ -0.0021561400000000, 0.0000698100000000, 0.0015551200000000 ] - [ 0.0016083300000000, -0.0001186300000000, -0.0008454700000000 ] - [ 0.0013914600000000, -0.0009599400000000, 0.0012233400000000 ] - [ 0.0003598000000000, -0.0002140400000000, 0.0009487300000000 ] - [ 0.0002347200000000, 0.0009214100000000, 0.0000838700000000 ] - [ 0.0016762000000000, 0.0003264600000000, -0.0012119000000000 ] - [ 0.0013262600000000, 0.0001889800000000, 0.0005867000000000 ] - [ 0.0004292700000000, 0.0002223900000000, 0.0009145000000000 ] - [ -0.0007408200000000, 0.0002253000000000, -0.0010491400000000 ] - [ -0.0017431300000000, -0.0005364900000000, -0.0046386000000000 ] - [ 0.0000244900000000, -0.0000610900000000, 0.0015877100000000 ] - [ -0.0002724700000000, -0.0000083100000000, 0.0022814700000000 ] - [ -0.0004366200000000, -0.0001377700000000, -0.0011099500000000 ] - [ 0.0029665100000000, -0.0007599500000000, -0.0043421500000000 ] - [ -0.0000369000000000, 0.0000832100000000, 0.0003384600000000 ] - [ -0.0004192500000000, 0.0000064200000000, 0.0005526500000000 ] - [ -0.0010343600000000, -0.0001624500000000, 0.0008640100000000 ] - [ 0.0006845800000000, -0.0008083800000000, 0.0004293300000000 ] - [ 0.0012957200000000, -0.0011594100000000, 0.0001976400000000 ] - [ -0.0021856200000000, 0.0004800800000000, 0.0003864500000000 ] - [ -0.0004233700000000, 0.0005815400000000, 0.0002365200000000 ] - [ 0.0007574200000000, 0.0012618000000000, 0.0006452000000000 ] - [ 0.0003565200000000, 0.0004170500000000, -0.0001605700000000 ] - [ -0.0025241200000000, -0.0006896300000000, 0.0003494200000000 ]- atom: 93 displacement: [ 0.0015728055973509, 0.0000000000000000, -0.0098755396081906 ] forces: - [ -0.0002546200000000, -0.0001571700000000, 0.0008116900000000 ] - [ -0.0000419700000000, -0.0000414400000000, 0.0003541200000000 ] - [ -0.0000105500000000, -0.0011679400000000, 0.0001751100000000 ] - [ -0.0001205600000000, -0.0000905400000000, 0.0000293700000000 ] - [ -0.0001801700000000, 0.0000883300000000, 0.0025310400000000 ] - [ -0.0000898700000000, 0.0000203000000000, 0.0003563600000000 ] - [ -0.0020938600000000, 0.0027598700000000, 0.0035765700000000 ] - [ -0.0000038300000000, 0.0001289300000000, 0.0000190500000000 ] - [ -0.0004168300000000, 0.0006893300000000, -0.0028251700000000 ] - [ -0.0003159800000000, 0.0000249000000000, -0.0001379700000000 ] - [ -0.0000238100000000, -0.0001055700000000, 0.0016771500000000 ] - [ -0.0004534400000000, -0.0000070600000000, 0.0004125900000000 ] - [ -0.0013784300000000, -0.0014230400000000, -0.0002236800000000 ] - [ 0.0005582400000000, -0.0000220300000000, -0.0005551600000000 ] - [ 0.0003025300000000, 0.0001978400000000, 0.0004236900000000 ] - [ 0.0002828300000000, 0.0000033200000000, 0.0002094900000000 ] - [ 0.0005521500000000, 0.0003999000000000, -0.0033835400000000 ] - [ -0.0003614900000000, 0.0001575300000000, -0.0010372000000000 ] - [ 0.0000307900000000, 0.0000123500000000, 0.0005128600000000 ] - [ 0.0001124500000000, 0.0000339300000000, 0.0004353500000000 ] - [ 0.0002866300000000, -0.0001236200000000, -0.0009951900000000 ] - [ -0.0001727700000000, -0.0002533800000000, -0.0008814500000000 ] - [ 0.0000497400000000, -0.0000045900000000, 0.0003239200000000 ] - [ 0.0001053700000000, -0.0000374600000000, 0.0004032000000000 ] - [ 0.0238390400000000, 0.0256287200000000, -0.0233332400000000 ] - [ -0.0000757300000000, -0.0000274600000000, -0.0011696900000000 ] - [ 0.0001759000000000, 0.0000350100000000, 0.0024974800000000 ] - [ 0.0004144900000000, 0.0000265500000000, 0.0011382600000000 ] - [ -0.0012390800000000, -0.0005631800000000, 0.0009176100000000 ] - [ 0.0012882800000000, 0.0000080700000000, 0.0013729200000000 ] - [ 0.0012898200000000, 0.0014094000000000, -0.0014135800000000 ] - [ -0.0005188500000000, 0.0000965100000000, -0.0004170200000000 ] - [ 0.0004479900000000, 0.0001028300000000, 0.0021006600000000 ] - [ -0.0003432300000000, 0.0004235900000000, -0.0005491400000000 ] - [ -0.0076838100000000, 0.0013278000000000, 0.0013667500000000 ] - [ 0.0014964700000000, -0.0008090800000000, -0.0006051200000000 ] - [ 0.0103844700000000, -0.0102582400000000, 0.0026641800000000 ] - [ 0.0006149800000000, -0.0000485000000000, -0.0000627900000000 ] - [ 0.0007318800000000, 0.0001150300000000, 0.0011595000000000 ] - [ 0.0012329600000000, 0.0000476100000000, 0.0007781800000000 ] - [ 0.0009233000000000, -0.0011721300000000, -0.0037199000000000 ] - [ 0.0006291400000000, 0.0009672700000000, -0.0000598100000000 ] - [ 0.0003170500000000, 0.0013161600000000, 0.0018219900000000 ] - [ 0.0006226400000000, 0.0013451800000000, 0.0012222600000000 ] - [ -0.0059622900000000, 0.0335450100000000, -0.0609567700000000 ] - [ 0.0005912600000000, -0.0009713000000000, -0.0001160800000000 ] - [ 0.0002635500000000, -0.0014025600000000, 0.0020433200000000 ] - [ 0.0006274400000000, -0.0013479700000000, 0.0012738400000000 ] - [ -0.0016976800000000, 0.0005896700000000, 0.0015748800000000 ] - [ 0.0004006600000000, 0.0011224700000000, -0.0007132300000000 ] - [ 0.0007251500000000, 0.0001011900000000, 0.0010921800000000 ] - [ -0.0018727600000000, 0.0020216800000000, 0.0004090700000000 ] - [ -0.0011141800000000, -0.0011147700000000, 0.0000280800000000 ] - [ 0.0001001400000000, -0.0011262900000000, -0.0010421400000000 ] - [ -0.0002547500000000, -0.0013781400000000, -0.0003982000000000 ] - [ -0.0017638300000000, -0.0019851600000000, 0.0004302900000000 ] - [ -0.0027486000000000, 0.0015850800000000, -0.0019276500000000 ] - [ 0.0024847000000000, 0.0007672000000000, -0.0053731500000000 ] - [ -0.0003242700000000, -0.0004641000000000, 0.0009969200000000 ] - [ -0.0024071700000000, -0.0001060800000000, 0.0016140600000000 ] - [ -0.0002521300000000, -0.0000943200000000, -0.0001402700000000 ] - [ -0.0008775800000000, 0.0031443500000000, -0.0033628400000000 ] - [ -0.0007965300000000, -0.0000010800000000, 0.0017091200000000 ] - [ -0.0008751400000000, -0.0000362200000000, 0.0020229600000000 ] - [ -0.0005311600000000, -0.0009333700000000, 0.0018430400000000 ] - [ 0.0000701000000000, -0.0005242000000000, 0.0005975100000000 ] - [ 0.0004224300000000, -0.0004947200000000, -0.0006875300000000 ] - [ 0.0001772700000000, -0.0006176600000000, -0.0003127700000000 ] - [ 0.0120656100000000, -0.0193879000000000, 0.0124011800000000 ] - [ 0.0000629500000000, 0.0005484800000000, 0.0006474700000000 ] - [ 0.0004288100000000, 0.0005372900000000, -0.0008219600000000 ] - [ 0.0001915600000000, 0.0006214300000000, -0.0003308100000000 ] - [ -0.0039165000000000, -0.0022498700000000, -0.0021043500000000 ] - [ 0.0009489700000000, -0.0003925000000000, 0.0005461500000000 ] - [ 0.0025278400000000, -0.0001276500000000, -0.0025242600000000 ] - [ -0.0002993800000000, 0.0002307400000000, -0.0000190000000000 ] - [ -0.0020044600000000, 0.0017982000000000, -0.0038533600000000 ] - [ 0.0005329200000000, 0.0000940500000000, -0.0004557500000000 ] - [ 0.0005512800000000, -0.0002159400000000, -0.0009672000000000 ] - [ -0.0002087600000000, -0.0001855700000000, -0.0006546800000000 ] - [ -0.0016197600000000, 0.0053702000000000, 0.0027132300000000 ] - [ -0.0008522000000000, -0.0001089100000000, 0.0003761000000000 ] - [ -0.0007887500000000, -0.0004681800000000, -0.0010436800000000 ] - [ -0.0009530900000000, -0.0004830900000000, -0.0006025100000000 ] - [ -0.0158460700000000, 0.0405112800000000, -0.0204639300000000 ] - [ -0.0008632500000000, 0.0001604200000000, 0.0003912600000000 ] - [ -0.0006691200000000, 0.0004017700000000, -0.0012415800000000 ] - [ -0.0009493400000000, 0.0004496200000000, -0.0006162300000000 ] - [ -0.0004337900000000, -0.0003124900000000, -0.0020703800000000 ] - [ -0.0003439800000000, -0.0000740100000000, -0.0007855800000000 ] - [ 0.0080838900000000, 0.0058296000000000, -0.0080321000000000 ] - [ -0.0011079100000000, 0.0001418100000000, 0.0003577100000000 ] - [ -0.0229117900000000, -0.0864328000000000, 0.0997906100000000 ] - [ 0.0000991800000000, 0.0004975300000000, 0.0003316400000000 ] - [ -0.0000889400000000, 0.0007575800000000, -0.0010885400000000 ] - [ -0.0002200500000000, 0.0007054100000000, -0.0005940500000000 ] - [ -0.0001156500000000, 0.0027035400000000, 0.0036966500000000 ] - [ 0.0001214700000000, -0.0005198800000000, 0.0003185700000000 ] - [ -0.0000713400000000, -0.0007531800000000, -0.0009875600000000 ] - [ -0.0002224700000000, -0.0007041200000000, -0.0005847600000000 ] - [ 0.0010135500000000, 0.0000159900000000, -0.0008329200000000 ] - [ -0.0004106900000000, -0.0006612100000000, 0.0000140000000000 ] - [ -0.0020081400000000, -0.0019394800000000, -0.0014873700000000 ] - [ 0.0006337900000000, -0.0011986100000000, 0.0001489200000000 ] - [ 0.0004812100000000, 0.0007147300000000, -0.0002249500000000 ] - [ -0.0004658500000000, 0.0008345200000000, 0.0001127400000000 ] - [ -0.0002125400000000, 0.0005788900000000, 0.0002416300000000 ] - [ 0.0006296500000000, 0.0011896300000000, 0.0001245000000000 ] - [ 0.0004197300000000, -0.0000067400000000, 0.0016937100000000 ] - [ 0.0014368100000000, -0.0007064000000000, 0.0011723700000000 ] - [ 0.0011013300000000, 0.0000705200000000, -0.0006247200000000 ] - [ 0.0008337800000000, -0.0000149900000000, -0.0008891100000000 ] - [ 0.0040013000000000, -0.0007168700000000, -0.0013297300000000 ] - [ 0.0002515800000000, -0.0005321100000000, 0.0010597200000000 ] - [ 0.0004644300000000, 0.0003145200000000, -0.0010104400000000 ] - [ 0.0015033500000000, -0.0004387600000000, -0.0007291700000000 ] - [ 0.0016217900000000, -0.0002740400000000, 0.0001389800000000 ] - [ 0.0001850600000000, 0.0003221600000000, 0.0014255400000000 ] - [ 0.0005308100000000, 0.0004608400000000, -0.0003695900000000 ] - [ 0.0014336000000000, 0.0004298300000000, -0.0006943400000000 ] - [ 0.0002841400000000, -0.0002264900000000, 0.0021035800000000 ] - [ 0.0012872000000000, 0.0005270800000000, 0.0057044800000000 ] - [ -0.0004839100000000, 0.0000618400000000, -0.0005444900000000 ] - [ -0.0001833800000000, 0.0000084400000000, -0.0012367100000000 ] - [ 0.0002613600000000, 0.0001380500000000, 0.0002192100000000 ] - [ -0.0031480900000000, 0.0007799300000000, 0.0034244900000000 ] - [ -0.0001380200000000, -0.0000838900000000, -0.0012352600000000 ] - [ 0.0002455500000000, -0.0000067000000000, -0.0014455300000000 ] - [ 0.0008991600000000, -0.0010725600000000, -0.0011423100000000 ] - [ -0.0008179200000000, -0.0004288400000000, -0.0007113700000000 ] - [ -0.0014443300000000, -0.0000729000000000, -0.0004800700000000 ] - [ 0.0020652100000000, -0.0017291100000000, -0.0006633900000000 ] - [ 0.0002876200000000, 0.0006535400000000, -0.0005153400000000 ] - [ -0.0008907400000000, -0.0000229300000000, -0.0009245300000000 ] - [ -0.0004986500000000, 0.0008204800000000, -0.0001185200000000 ] - [ 0.0024074300000000, 0.0019362100000000, -0.0006286700000000 ]