# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/984a5b56-3d90-4177-9a00-b10a8339dc0c/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 YAl3(BO3)4 / R32 (155) / materials id 6062](https://mdr.nims.go.jp/datasets/6ac890cd-9db9-423c-8dad-19efc027ab30) ## 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: "R32" number: 155 Hall_symbol: "R 3 2\""primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.652953870000005, 2.686384166666664, 2.400399213333331 ] # a - [ -4.652953869999995, 2.686384166666664, 2.400399213333331 ] # b - [ 0.000000000000005, -5.372768333333336, 2.400399213333331 ] # c points: - symbol: B # 1 coordinates: [ 0.500000000000000, 0.943370340000002, 0.056629660000000 ] mass: 10.811000 - symbol: B # 2 coordinates: [ 0.056629660000000, 0.500000000000001, 0.943370340000000 ] mass: 10.811000 - symbol: B # 3 coordinates: [ 0.943370340000000, 0.056629660000001, 0.500000000000000 ] mass: 10.811000 - symbol: B # 4 coordinates: [ 0.500000000000000, 0.500000000000002, 0.500000000000000 ] mass: 10.811000 - symbol: O # 5 coordinates: [ 0.629311660000000, 0.779533620000001, 0.028749140000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.971250860000000, 0.220466380000001, 0.370688340000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.220466380000000, 0.370688340000001, 0.971250860000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.370688340000000, 0.971250860000001, 0.220466380000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.351024610000000, 0.648975390000001, 0.500000000000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.648975390000000, 0.500000000000002, 0.351024610000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.500000000000000, 0.351024610000001, 0.648975390000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.091930470000000, 0.908069530000001, 0.500000000000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.908069530000000, 0.500000000000001, 0.091930470000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.500000000000000, 0.091930470000002, 0.908069530000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.779533620000000, 0.028749140000001, 0.629311660000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.028749140000000, 0.629311660000001, 0.779533620000000 ] mass: 15.999400 - symbol: Al # 17 coordinates: [ 0.000000000000000, 0.555579540000002, 0.444420470000000 ] mass: 26.981539 - symbol: Al # 18 coordinates: [ 0.444420470000000, 0.000000000000002, 0.555579540000000 ] mass: 26.981539 - symbol: Al # 19 coordinates: [ 0.555579530000000, 0.444420460000001, 0.000000000000000 ] mass: 26.981539 - symbol: Y # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 88.905850 reciprocal_lattice: # without 2pi - [ 0.107458619614469, 0.062041263023624, 0.138865790107658 ] # a* - [ -0.107458619614469, 0.062041263023624, 0.138865790107658 ] # b* - [ -0.000000000000000, -0.124082526047249, 0.138865790107658 ] # c*unit_cell: lattice: - [ 9.305907740000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.652953870000000, 8.059152500000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.201197640000000 ] # c points: - symbol: B # 1 coordinates: [ 0.000000000000000, 0.443370340000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.556629660000000, 0.556629660000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 3 coordinates: [ 0.443370340000000, 0.000000000000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 5 coordinates: [ 0.666666670000000, 0.776703670000000, 0.833333330000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 6 coordinates: [ 0.223296330000000, 0.889962990000000, 0.833333330000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 7 coordinates: [ 0.110037010000000, 0.333333330000000, 0.833333330000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.833333330000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 9 coordinates: [ 0.333333330000000, 0.110037010000000, 0.166666670000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 10 coordinates: [ 0.889962990000000, 0.223296330000000, 0.166666670000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 11 coordinates: [ 0.776703670000000, 0.666666670000000, 0.166666670000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.166666670000000 ] mass: 10.811000 reduced_to: 4 - symbol: O # 13 coordinates: [ 0.150113520000000, 0.450449000000000, 0.479198140000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.450449000000000, 0.150113520000000, 0.520801860000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.699664520000000, 0.549551000000000, 0.520801860000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.849886480000000, 0.300335480000000, 0.520801860000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.851024610000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.148975390000000, 0.148975390000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.851024610000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.591930470000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.408069530000000, 0.408069530000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.000000000000000, 0.591930470000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.300335480000000, 0.849886480000000, 0.479198140000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.549551000000000, 0.699664520000000, 0.479198140000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.816780190000000, 0.783782340000000, 0.812531470000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 26 coordinates: [ 0.117115670000000, 0.483446860000000, 0.854135200000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 27 coordinates: [ 0.366331190000000, 0.882884330000000, 0.854135200000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 28 coordinates: [ 0.516553140000000, 0.633668810000000, 0.854135200000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 29 coordinates: [ 0.517691280000000, 0.333333330000000, 0.833333330000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 30 coordinates: [ 0.815642050000000, 0.482308720000000, 0.833333330000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 31 coordinates: [ 0.666666670000000, 0.184357950000000, 0.833333330000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 32 coordinates: [ 0.258597140000000, 0.333333330000000, 0.833333330000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 33 coordinates: [ 0.074736190000000, 0.741402860000000, 0.833333330000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 34 coordinates: [ 0.666666670000000, 0.925263810000000, 0.833333330000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 35 coordinates: [ 0.967002150000000, 0.183219810000000, 0.812531470000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 36 coordinates: [ 0.216217660000000, 0.032997850000000, 0.812531470000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 37 coordinates: [ 0.483446860000000, 0.117115670000000, 0.145864800000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 38 coordinates: [ 0.783782340000000, 0.816780190000000, 0.187468530000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 39 coordinates: [ 0.032997850000000, 0.216217660000000, 0.187468530000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 40 coordinates: [ 0.183219810000000, 0.967002150000000, 0.187468530000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 41 coordinates: [ 0.184357950000000, 0.666666670000000, 0.166666670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 42 coordinates: [ 0.482308720000000, 0.815642050000000, 0.166666670000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 43 coordinates: [ 0.333333330000000, 0.517691280000000, 0.166666670000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 44 coordinates: [ 0.925263810000000, 0.666666670000000, 0.166666670000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 45 coordinates: [ 0.741402860000000, 0.074736190000000, 0.166666670000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 46 coordinates: [ 0.333333330000000, 0.258597140000000, 0.166666670000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 47 coordinates: [ 0.633668810000000, 0.516553140000000, 0.145864800000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 48 coordinates: [ 0.882884330000000, 0.366331190000000, 0.145864800000000 ] mass: 15.999400 reduced_to: 24 - symbol: Al # 49 coordinates: [ 0.333333330000000, 0.222246200000000, 0.666666670000000 ] mass: 26.981539 reduced_to: 49 - symbol: Al # 50 coordinates: [ 0.777753800000000, 0.111087130000000, 0.666666670000000 ] mass: 26.981539 reduced_to: 50 - symbol: Al # 51 coordinates: [ 0.222246200000000, 0.333333330000000, 0.333333330000000 ] mass: 26.981539 reduced_to: 51 - symbol: Al # 52 coordinates: [ 0.000000000000000, 0.555579530000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 49 - symbol: Al # 53 coordinates: [ 0.444420470000000, 0.444420470000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 50 - symbol: Al # 54 coordinates: [ 0.888912870000000, 0.666666670000000, 0.666666670000000 ] mass: 26.981539 reduced_to: 51 - symbol: Al # 55 coordinates: [ 0.666666670000000, 0.888912870000000, 0.333333330000000 ] mass: 26.981539 reduced_to: 49 - symbol: Al # 56 coordinates: [ 0.111087130000000, 0.777753800000000, 0.333333330000000 ] mass: 26.981539 reduced_to: 50 - symbol: Al # 57 coordinates: [ 0.555579530000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 51 - symbol: Y # 58 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 88.905850 reduced_to: 58 - symbol: Y # 59 coordinates: [ 0.666666670000000, 0.333333330000000, 0.333333330000000 ] mass: 88.905850 reduced_to: 58 - symbol: Y # 60 coordinates: [ 0.333333330000000, 0.666666670000000, 0.666666670000000 ] mass: 88.905850 reduced_to: 58supercell: lattice: - [ 9.305907740000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.652953870000000, 8.059152500000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.402395280000000 ] # c points: - symbol: B # 1 coordinates: [ 0.000000000000000, 0.443370340000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.000000000000000, 0.443370340000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 3 coordinates: [ 0.556629660000000, 0.556629660000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.556629660000000, 0.556629660000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 5 coordinates: [ 0.443370340000000, 0.000000000000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.443370340000000, 0.000000000000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 9 coordinates: [ 0.666666670000000, 0.776703670000000, 0.416666665000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 10 coordinates: [ 0.666666670000000, 0.776703670000000, 0.916666665000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 11 coordinates: [ 0.223296330000000, 0.889962990000000, 0.416666665000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 12 coordinates: [ 0.223296330000000, 0.889962990000000, 0.916666665000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 13 coordinates: [ 0.110037010000000, 0.333333330000000, 0.416666665000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 14 coordinates: [ 0.110037010000000, 0.333333330000000, 0.916666665000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.416666665000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 16 coordinates: [ 0.666666670000000, 0.333333330000000, 0.916666665000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 17 coordinates: [ 0.333333330000000, 0.110037010000000, 0.083333335000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 18 coordinates: [ 0.333333330000000, 0.110037010000000, 0.583333335000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 19 coordinates: [ 0.889962990000000, 0.223296330000000, 0.083333335000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 20 coordinates: [ 0.889962990000000, 0.223296330000000, 0.583333335000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 21 coordinates: [ 0.776703670000000, 0.666666670000000, 0.083333335000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 22 coordinates: [ 0.776703670000000, 0.666666670000000, 0.583333335000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 23 coordinates: [ 0.333333330000000, 0.666666670000000, 0.083333335000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.583333335000000 ] mass: 10.811000 reduced_to: 7 - symbol: O # 25 coordinates: [ 0.150113520000000, 0.450449000000000, 0.239599070000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.150113520000000, 0.450449000000000, 0.739599070000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.450449000000000, 0.150113520000000, 0.260400930000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.450449000000000, 0.150113520000000, 0.760400930000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.699664520000000, 0.549551000000000, 0.260400930000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.699664520000000, 0.549551000000000, 0.760400930000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.849886480000000, 0.300335480000000, 0.260400930000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.849886480000000, 0.300335480000000, 0.760400930000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.851024610000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.851024610000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.148975390000000, 0.148975390000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.148975390000000, 0.148975390000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.000000000000000, 0.851024610000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.000000000000000, 0.851024610000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.591930470000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.591930470000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.408069530000000, 0.408069530000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.408069530000000, 0.408069530000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.000000000000000, 0.591930470000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.000000000000000, 0.591930470000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.300335480000000, 0.849886480000000, 0.239599070000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.300335480000000, 0.849886480000000, 0.739599070000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.549551000000000, 0.699664520000000, 0.239599070000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.549551000000000, 0.699664520000000, 0.739599070000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.816780190000000, 0.783782340000000, 0.406265735000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 50 coordinates: [ 0.816780190000000, 0.783782340000000, 0.906265735000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 51 coordinates: [ 0.117115670000000, 0.483446860000000, 0.427067600000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 52 coordinates: [ 0.117115670000000, 0.483446860000000, 0.927067600000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 53 coordinates: [ 0.366331190000000, 0.882884330000000, 0.427067600000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 54 coordinates: [ 0.366331190000000, 0.882884330000000, 0.927067600000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 55 coordinates: [ 0.516553140000000, 0.633668810000000, 0.427067600000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 56 coordinates: [ 0.516553140000000, 0.633668810000000, 0.927067600000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 57 coordinates: [ 0.517691280000000, 0.333333330000000, 0.416666665000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 58 coordinates: [ 0.517691280000000, 0.333333330000000, 0.916666665000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 59 coordinates: [ 0.815642050000000, 0.482308720000000, 0.416666665000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 60 coordinates: [ 0.815642050000000, 0.482308720000000, 0.916666665000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 61 coordinates: [ 0.666666670000000, 0.184357950000000, 0.416666665000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 62 coordinates: [ 0.666666670000000, 0.184357950000000, 0.916666665000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 63 coordinates: [ 0.258597140000000, 0.333333330000000, 0.416666665000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 64 coordinates: [ 0.258597140000000, 0.333333330000000, 0.916666665000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 65 coordinates: [ 0.074736190000000, 0.741402860000000, 0.416666665000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 66 coordinates: [ 0.074736190000000, 0.741402860000000, 0.916666665000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 67 coordinates: [ 0.666666670000000, 0.925263810000000, 0.416666665000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 68 coordinates: [ 0.666666670000000, 0.925263810000000, 0.916666665000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 69 coordinates: [ 0.967002150000000, 0.183219810000000, 0.406265735000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 70 coordinates: [ 0.967002150000000, 0.183219810000000, 0.906265735000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 71 coordinates: [ 0.216217660000000, 0.032997850000000, 0.406265735000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 72 coordinates: [ 0.216217660000000, 0.032997850000000, 0.906265735000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 73 coordinates: [ 0.483446860000000, 0.117115670000000, 0.072932400000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 74 coordinates: [ 0.483446860000000, 0.117115670000000, 0.572932400000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 75 coordinates: [ 0.783782340000000, 0.816780190000000, 0.093734265000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 76 coordinates: [ 0.783782340000000, 0.816780190000000, 0.593734265000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 77 coordinates: [ 0.032997850000000, 0.216217660000000, 0.093734265000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 78 coordinates: [ 0.032997850000000, 0.216217660000000, 0.593734265000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 79 coordinates: [ 0.183219810000000, 0.967002150000000, 0.093734265000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 80 coordinates: [ 0.183219810000000, 0.967002150000000, 0.593734265000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 81 coordinates: [ 0.184357950000000, 0.666666670000000, 0.083333335000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 82 coordinates: [ 0.184357950000000, 0.666666670000000, 0.583333335000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 83 coordinates: [ 0.482308720000000, 0.815642050000000, 0.083333335000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 84 coordinates: [ 0.482308720000000, 0.815642050000000, 0.583333335000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 85 coordinates: [ 0.333333330000000, 0.517691280000000, 0.083333335000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.333333330000000, 0.517691280000000, 0.583333335000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 87 coordinates: [ 0.925263810000000, 0.666666670000000, 0.083333335000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 88 coordinates: [ 0.925263810000000, 0.666666670000000, 0.583333335000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 89 coordinates: [ 0.741402860000000, 0.074736190000000, 0.083333335000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 90 coordinates: [ 0.741402860000000, 0.074736190000000, 0.583333335000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 91 coordinates: [ 0.333333330000000, 0.258597140000000, 0.083333335000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 92 coordinates: [ 0.333333330000000, 0.258597140000000, 0.583333335000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 93 coordinates: [ 0.633668810000000, 0.516553140000000, 0.072932400000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 94 coordinates: [ 0.633668810000000, 0.516553140000000, 0.572932400000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 95 coordinates: [ 0.882884330000000, 0.366331190000000, 0.072932400000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 96 coordinates: [ 0.882884330000000, 0.366331190000000, 0.572932400000000 ] mass: 15.999400 reduced_to: 47 - symbol: Al # 97 coordinates: [ 0.333333330000000, 0.222246200000000, 0.333333335000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 98 coordinates: [ 0.333333330000000, 0.222246200000000, 0.833333335000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 99 coordinates: [ 0.777753800000000, 0.111087130000000, 0.333333335000000 ] mass: 26.981539 reduced_to: 99 - symbol: Al # 100 coordinates: [ 0.777753800000000, 0.111087130000000, 0.833333335000000 ] mass: 26.981539 reduced_to: 99 - symbol: Al # 101 coordinates: [ 0.222246200000000, 0.333333330000000, 0.166666665000000 ] mass: 26.981539 reduced_to: 101 - symbol: Al # 102 coordinates: [ 0.222246200000000, 0.333333330000000, 0.666666665000000 ] mass: 26.981539 reduced_to: 101 - symbol: Al # 103 coordinates: [ 0.000000000000000, 0.555579530000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 104 coordinates: [ 0.000000000000000, 0.555579530000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 105 coordinates: [ 0.444420470000000, 0.444420470000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 99 - symbol: Al # 106 coordinates: [ 0.444420470000000, 0.444420470000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 99 - symbol: Al # 107 coordinates: [ 0.888912870000000, 0.666666670000000, 0.333333335000000 ] mass: 26.981539 reduced_to: 101 - symbol: Al # 108 coordinates: [ 0.888912870000000, 0.666666670000000, 0.833333335000000 ] mass: 26.981539 reduced_to: 101 - symbol: Al # 109 coordinates: [ 0.666666670000000, 0.888912870000000, 0.166666665000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 110 coordinates: [ 0.666666670000000, 0.888912870000000, 0.666666665000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 111 coordinates: [ 0.111087130000000, 0.777753800000000, 0.166666665000000 ] mass: 26.981539 reduced_to: 99 - symbol: Al # 112 coordinates: [ 0.111087130000000, 0.777753800000000, 0.666666665000000 ] mass: 26.981539 reduced_to: 99 - symbol: Al # 113 coordinates: [ 0.555579530000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 101 - symbol: Al # 114 coordinates: [ 0.555579530000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 101 - symbol: Y # 115 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 88.905850 reduced_to: 115 - symbol: Y # 116 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 88.905850 reduced_to: 115 - symbol: Y # 117 coordinates: [ 0.666666670000000, 0.333333330000000, 0.166666665000000 ] mass: 88.905850 reduced_to: 115 - symbol: Y # 118 coordinates: [ 0.666666670000000, 0.333333330000000, 0.666666665000000 ] mass: 88.905850 reduced_to: 115 - symbol: Y # 119 coordinates: [ 0.333333330000000, 0.666666670000000, 0.333333335000000 ] mass: 88.905850 reduced_to: 115 - symbol: Y # 120 coordinates: [ 0.333333330000000, 0.666666670000000, 0.833333335000000 ] mass: 88.905850 reduced_to: 115displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.5290857000000000, -0.0201038300000000, 0.0402615700000000 ] - [ -0.0004872900000000, -0.0000448500000000, -0.0000028000000000 ] - [ 0.0116252900000000, 0.0023908000000000, 0.0008140600000000 ] - [ 0.0004449100000000, -0.0000224300000000, -0.0000662700000000 ] - [ 0.0035583200000000, 0.0022746400000000, -0.0001688400000000 ] - [ 0.0000770000000000, 0.0002297900000000, 0.0000014100000000 ] - [ -0.0040133700000000, -0.0098454000000000, -0.0000711700000000 ] - [ -0.0000198700000000, -0.0002756300000000, 0.0000444200000000 ] - [ 0.0029008300000000, 0.0027506000000000, -0.0001438800000000 ] - [ 0.0007150300000000, 0.0008700700000000, 0.0002024400000000 ] - [ -0.0038172400000000, -0.0035670200000000, -0.0006386300000000 ] - [ -0.0002626400000000, -0.0001586200000000, -0.0000007700000000 ] - [ -0.0006013900000000, -0.0099309900000000, 0.0131678500000000 ] - [ -0.0007291100000000, -0.0002374100000000, -0.0007223200000000 ] - [ 0.0071752100000000, 0.0028352600000000, -0.0030192600000000 ] - [ 0.0008050500000000, 0.0002776300000000, 0.0005620500000000 ] - [ 0.0029093500000000, -0.0015844100000000, -0.0000906400000000 ] - [ 0.0007212300000000, -0.0004798400000000, -0.0000368300000000 ] - [ -0.0128434500000000, 0.0028975300000000, 0.0034261700000000 ] - [ -0.0011694700000000, -0.0000224400000000, 0.0002107700000000 ] - [ 0.0041367900000000, -0.0010316500000000, 0.0005332700000000 ] - [ 0.0007306000000000, -0.0004190000000000, -0.0003740700000000 ] - [ -0.0013053200000000, 0.0091203500000000, -0.0054695100000000 ] - [ 0.0000011900000000, 0.0009691600000000, 0.0007264000000000 ] - [ 0.2670347200000000, -0.0007793600000000, -0.0377712000000000 ] - [ -0.0002201600000000, -0.0001254100000000, -0.0001891400000000 ] - [ -0.0032841000000000, -0.0016660300000000, 0.0010131500000000 ] - [ 0.0000373500000000, -0.0005807700000000, 0.0000335100000000 ] - [ -0.0119040900000000, 0.0012791300000000, -0.0001309800000000 ] - [ -0.0007880500000000, 0.0001629900000000, -0.0000014800000000 ] - [ 0.1077613300000000, 0.0903904200000000, -0.0150964100000000 ] - [ 0.0006097800000000, 0.0004206900000000, 0.0000087900000000 ] - [ 0.0045703600000000, -0.0024799400000000, -0.0002010600000000 ] - [ 0.0001976700000000, 0.0000770800000000, 0.0000086200000000 ] - [ -0.0023742700000000, 0.0111115300000000, -0.0009630600000000 ] - [ -0.0000740000000000, 0.0000770900000000, -0.0000267300000000 ] - [ -0.0034628000000000, 0.0084630200000000, 0.0000015500000000 ] - [ -0.0000752500000000, 0.0002770600000000, 0.0000106600000000 ] - [ -0.0032994500000000, -0.0052929800000000, -0.0002500000000000 ] - [ -0.0003957300000000, -0.0001272300000000, -0.0001276900000000 ] - [ -0.0107209400000000, -0.0008139800000000, -0.0008180800000000 ] - [ -0.0000594900000000, 0.0002835300000000, -0.0000806200000000 ] - [ 0.0995090800000000, -0.0823977100000000, -0.0059029500000000 ] - [ 0.0004419900000000, -0.0003460400000000, -0.0000968100000000 ] - [ 0.0048390500000000, 0.0004007100000000, 0.0006305300000000 ] - [ 0.0001301300000000, 0.0003194000000000, -0.0001914900000000 ] - [ -0.0056050200000000, -0.0023758600000000, 0.0009353500000000 ] - [ 0.0001955000000000, -0.0003926400000000, -0.0000648500000000 ] - [ -0.0027152300000000, 0.0005191000000000, 0.0010336800000000 ] - [ -0.0008268600000000, 0.0000453200000000, -0.0004154100000000 ] - [ 0.0062528700000000, -0.0008319700000000, -0.0097566000000000 ] - [ 0.0011266600000000, -0.0002415200000000, 0.0002167300000000 ] - [ 0.0028224300000000, -0.0030465000000000, -0.0016490700000000 ] - [ -0.0003465600000000, -0.0002928300000000, 0.0001416900000000 ] - [ -0.0036495600000000, -0.0005965400000000, -0.0016783400000000 ] - [ -0.0006769100000000, -0.0005372000000000, 0.0009469000000000 ] - [ -0.0049559200000000, -0.0000038700000000, -0.0001088800000000 ] - [ -0.0006826800000000, -0.0000956200000000, -0.0001986600000000 ] - [ -0.0023499000000000, -0.0011473100000000, 0.0065991500000000 ] - [ -0.0004268500000000, -0.0001170500000000, -0.0010422600000000 ] - [ -0.0024525100000000, -0.0029942000000000, 0.0047332100000000 ] - [ -0.0001461700000000, -0.0000866700000000, -0.0006283400000000 ] - [ -0.0038577500000000, 0.0023465500000000, -0.0042574200000000 ] - [ -0.0004756300000000, 0.0004260100000000, 0.0008495000000000 ] - [ 0.0030203500000000, 0.0045027800000000, 0.0051575600000000 ] - [ 0.0008544200000000, 0.0006824100000000, -0.0001745000000000 ] - [ 0.0002208900000000, -0.0024357000000000, 0.0005567900000000 ] - [ 0.0001894500000000, -0.0009203400000000, -0.0002687100000000 ] - [ 0.0057609800000000, 0.0045655200000000, 0.0012887400000000 ] - [ 0.0007292200000000, 0.0008219700000000, 0.0003306200000000 ] - [ -0.0000880600000000, 0.0014659200000000, -0.0002385100000000 ] - [ 0.0001819300000000, -0.0002301200000000, -0.0001447100000000 ] - [ -0.0024610200000000, -0.0019877900000000, -0.0016512300000000 ] - [ -0.0012765400000000, -0.0003808000000000, 0.0005176500000000 ] - [ -0.0013632400000000, 0.0005731500000000, 0.0001017700000000 ] - [ -0.0001372200000000, -0.0002123500000000, 0.0001408500000000 ] - [ 0.0053695400000000, 0.0065738800000000, 0.0068502500000000 ] - [ -0.0000171000000000, 0.0004239500000000, -0.0003928400000000 ] - [ 0.0001936800000000, 0.0015388700000000, -0.0003860100000000 ] - [ 0.0003487400000000, 0.0006043600000000, 0.0001259300000000 ] - [ 0.0071673500000000, -0.0026920800000000, 0.0010958000000000 ] - [ 0.0009802900000000, -0.0007837600000000, -0.0008208200000000 ] - [ -0.0009188400000000, -0.0038337400000000, 0.0001953600000000 ] - [ -0.0003148800000000, -0.0007473800000000, -0.0001446500000000 ] - [ -0.0052662300000000, -0.0034908500000000, 0.0095299300000000 ] - [ -0.0002344200000000, -0.0001720600000000, -0.0010037100000000 ] - [ -0.0029357000000000, 0.0018242100000000, -0.0048561000000000 ] - [ -0.0004078800000000, 0.0003212200000000, 0.0009426000000000 ] - [ 0.0017671900000000, -0.0018964000000000, -0.0023022100000000 ] - [ 0.0006503700000000, 0.0002392800000000, 0.0003359100000000 ] - [ -0.0026273800000000, 0.0018386200000000, 0.0010046300000000 ] - [ -0.0006511000000000, 0.0002623500000000, -0.0005530000000000 ] - [ -0.0032474800000000, 0.0011390000000000, -0.0018071900000000 ] - [ -0.0006861400000000, 0.0006757300000000, 0.0002157200000000 ] - [ 0.0061486600000000, -0.0017112100000000, -0.0070138700000000 ] - [ 0.0018257200000000, -0.0004639000000000, 0.0001044500000000 ] - [ 0.0070865100000000, -0.0034405600000000, 0.0017117600000000 ] - [ 0.0006155200000000, -0.0001920800000000, -0.0000143500000000 ] - [ -0.0058265200000000, 0.0151386700000000, -0.0109468000000000 ] - [ -0.0005000100000000, 0.0001548600000000, 0.0003490800000000 ] - [ 0.0304180000000000, -0.0198942200000000, -0.0198409700000000 ] - [ 0.0000661900000000, -0.0003718400000000, 0.0007009700000000 ] - [ -0.0042676400000000, -0.0024063300000000, 0.0023228300000000 ] - [ -0.0074680800000000, 0.0010082000000000, -0.0022507900000000 ] - [ 0.0048011500000000, -0.0009070800000000, -0.0019809900000000 ] - [ 0.0038134100000000, -0.0002116300000000, 0.0017251300000000 ] - [ 0.0164088500000000, -0.0141856600000000, -0.0108338700000000 ] - [ -0.0001068400000000, -0.0003963500000000, 0.0005456500000000 ] - [ 0.0009518900000000, 0.0048743700000000, 0.0003767300000000 ] - [ 0.0002977500000000, 0.0001959500000000, 0.0000979300000000 ] - [ -0.0066116200000000, -0.0130402100000000, 0.0121456500000000 ] - [ -0.0006604600000000, 0.0000689500000000, 0.0000086600000000 ] - [ 0.0002941200000000, 0.0022513100000000, 0.0007554500000000 ] - [ 0.0004759900000000, 0.0030905200000000, -0.0012906200000000 ] - [ 0.0001019200000000, -0.0027567100000000, -0.0001260900000000 ] - [ 0.0004183400000000, -0.0022226200000000, 0.0002182900000000 ] - [ 0.0285112800000000, 0.0087871100000000, 0.0169292200000000 ] - [ 0.0001184500000000, 0.0001455400000000, -0.0005146800000000 ] - [ 0.0072933100000000, 0.0317089500000000, 0.0188977700000000 ] - [ -0.0001760200000000, 0.0003834300000000, -0.0003833900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.5110382100000000, 0.0198748900000000, -0.0380310000000000 ] - [ 0.0004640100000000, 0.0000780800000000, 0.0000041800000000 ] - [ -0.0116653800000000, -0.0024387300000000, -0.0008170000000000 ] - [ -0.0004703600000000, -0.0000237100000000, 0.0000671000000000 ] - [ -0.0034837200000000, -0.0022776900000000, 0.0001709800000000 ] - [ -0.0000364100000000, -0.0002322900000000, -0.0000022900000000 ] - [ 0.0039993600000000, 0.0097899100000000, 0.0000706400000000 ] - [ 0.0000253400000000, 0.0002842400000000, -0.0000445000000000 ] - [ -0.0029282600000000, -0.0027067100000000, 0.0001467700000000 ] - [ -0.0007427600000000, -0.0008319200000000, -0.0002009600000000 ] - [ 0.0037722800000000, 0.0034932900000000, 0.0006382700000000 ] - [ 0.0002327300000000, 0.0001119700000000, 0.0000016800000000 ] - [ 0.0005909100000000, 0.0099452500000000, -0.0131306800000000 ] - [ 0.0007615200000000, 0.0002414100000000, 0.0007191000000000 ] - [ -0.0071706700000000, -0.0028519100000000, 0.0030286000000000 ] - [ -0.0007969700000000, -0.0002637400000000, -0.0005591700000000 ] - [ -0.0029198700000000, 0.0016091400000000, 0.0000890500000000 ] - [ -0.0007365500000000, 0.0005077600000000, 0.0000370600000000 ] - [ 0.0127457000000000, -0.0028931000000000, -0.0033578800000000 ] - [ 0.0011449900000000, -0.0000257100000000, -0.0002107800000000 ] - [ -0.0040708700000000, 0.0010286400000000, -0.0005416800000000 ] - [ -0.0006829700000000, 0.0004125100000000, 0.0003736000000000 ] - [ 0.0012991700000000, -0.0090730600000000, 0.0054587900000000 ] - [ 0.0000056600000000, -0.0009615900000000, -0.0007276900000000 ] - [ -0.2477156300000000, 0.0012813700000000, 0.0348421100000000 ] - [ -0.0007754800000000, -0.0001556000000000, 0.0000463000000000 ] - [ 0.0035233800000000, 0.0006625800000000, -0.0008692100000000 ] - [ 0.0002163600000000, -0.0004257200000000, 0.0001082800000000 ] - [ 0.0109451100000000, -0.0010009200000000, 0.0002793400000000 ] - [ -0.0002090300000000, 0.0001200100000000, 0.0001423700000000 ] - [ -0.1084017900000000, -0.0941136200000000, 0.0158053700000000 ] - [ 0.0001362700000000, 0.0003038600000000, 0.0001330200000000 ] - [ -0.0042874900000000, 0.0024966300000000, 0.0002039100000000 ] - [ 0.0000797600000000, -0.0000794300000000, -0.0000077500000000 ] - [ 0.0021934800000000, -0.0112772200000000, 0.0009563900000000 ] - [ -0.0000740600000000, -0.0003303900000000, 0.0000274500000000 ] - [ 0.0032586200000000, -0.0081088300000000, -0.0000059400000000 ] - [ -0.0000660700000000, -0.0000406500000000, -0.0000093300000000 ] - [ 0.0025198900000000, 0.0052295300000000, 0.0002419900000000 ] - [ -0.0003521700000000, 0.0001289300000000, 0.0001266000000000 ] - [ 0.0111489300000000, 0.0014537000000000, 0.0008330600000000 ] - [ 0.0004399200000000, 0.0003754300000000, 0.0000805800000000 ] - [ -0.1001726500000000, 0.0855452600000000, 0.0059232600000000 ] - [ -0.0000659700000000, -0.0003000300000000, 0.0000955900000000 ] - [ -0.0045867400000000, 0.0005859400000000, -0.0007734900000000 ] - [ 0.0001250400000000, 0.0006910800000000, 0.0000493800000000 ] - [ 0.0063528300000000, 0.0016412000000000, -0.0010759900000000 ] - [ 0.0005487900000000, -0.0003284400000000, -0.0000770800000000 ] - [ 0.0017124200000000, -0.0007686200000000, -0.0011778500000000 ] - [ -0.0001705600000000, -0.0002897500000000, 0.0002713600000000 ] - [ -0.0059046400000000, -0.0001706900000000, 0.0098837100000000 ] - [ -0.0008334900000000, -0.0007469300000000, -0.0000759700000000 ] - [ -0.0038025100000000, 0.0032884600000000, 0.0017890100000000 ] - [ -0.0006475400000000, 0.0005389700000000, 0.0000029900000000 ] - [ 0.0043544900000000, 0.0013343800000000, 0.0018153900000000 ] - [ 0.0013860500000000, 0.0012764800000000, -0.0008006900000000 ] - [ 0.0052892400000000, -0.0000119700000000, 0.0001059800000000 ] - [ 0.0010188800000000, 0.0000754400000000, 0.0001996500000000 ] - [ 0.0021494600000000, 0.0008454800000000, -0.0066171900000000 ] - [ 0.0002304000000000, -0.0001808700000000, 0.0010349100000000 ] - [ 0.0022761500000000, 0.0032926300000000, -0.0047044500000000 ] - [ -0.0000114400000000, 0.0003802500000000, 0.0006248600000000 ] - [ 0.0030574100000000, -0.0023571600000000, 0.0042404300000000 ] - [ -0.0003373500000000, -0.0004335100000000, -0.0008466500000000 ] - [ -0.0026072200000000, -0.0037567200000000, -0.0051232700000000 ] - [ -0.0004455500000000, 0.0000433200000000, 0.0001735600000000 ] - [ 0.0002013400000000, 0.0017293500000000, -0.0005554200000000 ] - [ 0.0002300300000000, 0.0002165400000000, 0.0002661200000000 ] - [ -0.0054571900000000, -0.0035777100000000, -0.0014331700000000 ] - [ -0.0004382700000000, 0.0001725200000000, -0.0004706300000000 ] - [ 0.0008005800000000, -0.0021909500000000, 0.0000896400000000 ] - [ 0.0005340900000000, -0.0005111200000000, 0.0000023100000000 ] - [ 0.0014581500000000, 0.0017477500000000, 0.0015101000000000 ] - [ 0.0002766100000000, 0.0001386000000000, -0.0006592600000000 ] - [ 0.0016412400000000, -0.0015603800000000, 0.0000438800000000 ] - [ 0.0004211100000000, -0.0007762300000000, 0.0000019800000000 ] - [ -0.0063299700000000, -0.0062797200000000, -0.0066529600000000 ] - [ -0.0009833200000000, -0.0001745700000000, 0.0005349400000000 ] - [ 0.0005216300000000, -0.0007855200000000, 0.0005267700000000 ] - [ 0.0003669800000000, 0.0001429900000000, 0.0000183100000000 ] - [ -0.0067936300000000, 0.0026974000000000, -0.0010894400000000 ] - [ -0.0006410900000000, 0.0007971800000000, 0.0008246500000000 ] - [ 0.0007547100000000, 0.0035076700000000, -0.0001935700000000 ] - [ 0.0001504400000000, 0.0004319500000000, 0.0001464700000000 ] - [ 0.0050591500000000, 0.0037553600000000, -0.0095089200000000 ] - [ 0.0000493600000000, 0.0004517800000000, 0.0010047500000000 ] - [ 0.0020944400000000, -0.0018086700000000, 0.0048334600000000 ] - [ -0.0004117700000000, -0.0003109500000000, -0.0009419300000000 ] - [ -0.0013354600000000, 0.0025920000000000, 0.0022875700000000 ] - [ -0.0002258200000000, 0.0004746900000000, -0.0003347700000000 ] - [ 0.0030155200000000, -0.0025386700000000, -0.0009991800000000 ] - [ 0.0010489300000000, -0.0009676600000000, 0.0005490700000000 ] - [ 0.0035238600000000, -0.0001521100000000, 0.0016668600000000 ] - [ 0.0009724200000000, 0.0003130700000000, -0.0003609600000000 ] - [ -0.0054607700000000, 0.0009735600000000, 0.0068392700000000 ] - [ -0.0011145600000000, -0.0002733900000000, -0.0002485300000000 ] - [ -0.0070115700000000, 0.0033604200000000, -0.0016989100000000 ] - [ -0.0005683200000000, 0.0001193300000000, 0.0000100200000000 ] - [ 0.0058168000000000, -0.0150302100000000, 0.0109329100000000 ] - [ 0.0005384500000000, -0.0000798200000000, -0.0003507500000000 ] - [ -0.0301370500000000, 0.0198099800000000, 0.0196494300000000 ] - [ -0.0001522500000000, 0.0003752500000000, -0.0006971100000000 ] - [ 0.0042978700000000, 0.0023152900000000, -0.0022978900000000 ] - [ 0.0075167600000000, -0.0010707900000000, 0.0022279800000000 ] - [ -0.0047437800000000, 0.0009737000000000, 0.0019660400000000 ] - [ -0.0037682100000000, 0.0002870100000000, -0.0017142900000000 ] - [ -0.0164484100000000, 0.0143164700000000, 0.0108784100000000 ] - [ 0.0000223200000000, 0.0003917700000000, -0.0005467700000000 ] - [ -0.0009199000000000, -0.0049271700000000, -0.0003751400000000 ] - [ -0.0002575500000000, -0.0002702000000000, -0.0000947100000000 ] - [ 0.0066189600000000, 0.0130497000000000, -0.0121017300000000 ] - [ 0.0007042900000000, 0.0000040300000000, -0.0000071900000000 ] - [ -0.0003689300000000, -0.0022440600000000, -0.0007546100000000 ] - [ -0.0005574500000000, -0.0030865900000000, 0.0012876200000000 ] - [ -0.0000998100000000, 0.0027436800000000, 0.0001191200000000 ] - [ -0.0004149500000000, 0.0022155400000000, -0.0002159200000000 ] - [ -0.0286417800000000, -0.0089180000000000, -0.0170822500000000 ] - [ -0.0001172100000000, -0.0001460600000000, 0.0005161500000000 ] - [ -0.0072828600000000, -0.0315533500000000, -0.0187829400000000 ] - [ 0.0001752700000000, -0.0003814600000000, 0.0003809700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0390085600000000, 0.0227415900000000, -0.1419751100000000 ] - [ -0.0000150900000000, 0.0000154000000000, 0.0010515900000000 ] - [ -0.0008279700000000, -0.0007051200000000, -0.0007896500000000 ] - [ 0.0000529700000000, 0.0000180000000000, 0.0006618800000000 ] - [ -0.0009527200000000, -0.0003815100000000, -0.0007929000000000 ] - [ 0.0000883700000000, 0.0000366600000000, 0.0006589500000000 ] - [ 0.0008381200000000, 0.0004761300000000, -0.0015035300000000 ] - [ -0.0000273500000000, -0.0000145700000000, 0.0006630600000000 ] - [ -0.0001054800000000, -0.0000963900000000, -0.0002937000000000 ] - [ -0.0000508700000000, 0.0002676500000000, 0.0003736200000000 ] - [ 0.0006295000000000, 0.0009705700000000, -0.0002590100000000 ] - [ -0.0000144900000000, -0.0004491000000000, 0.0005558100000000 ] - [ 0.0098773600000000, -0.0097083400000000, 0.0014296800000000 ] - [ -0.0009001100000000, 0.0002911300000000, 0.0012395200000000 ] - [ -0.0030511900000000, -0.0034186600000000, 0.0005721400000000 ] - [ 0.0013525500000000, 0.0001783800000000, 0.0010956500000000 ] - [ -0.0001554600000000, -0.0000018100000000, -0.0002782200000000 ] - [ 0.0001959700000000, -0.0001456300000000, 0.0003643700000000 ] - [ -0.0033177700000000, 0.0130362900000000, 0.0015093000000000 ] - [ -0.0002252400000000, -0.0009913900000000, 0.0012444700000000 ] - [ 0.0011925400000000, 0.0000507800000000, -0.0002391600000000 ] - [ -0.0003531700000000, 0.0002151700000000, 0.0005482600000000 ] - [ -0.0044199900000000, -0.0009442300000000, 0.0006071000000000 ] - [ 0.0008538900000000, 0.0011225700000000, 0.0011090600000000 ] - [ -0.0274346200000000, 0.0054030700000000, 0.0495438900000000 ] - [ -0.0003775400000000, -0.0003594000000000, -0.0012817500000000 ] - [ 0.0001892900000000, -0.0007482700000000, 0.0012436200000000 ] - [ 0.0002694800000000, -0.0004170100000000, -0.0008027600000000 ] - [ 0.0002227000000000, 0.0003515600000000, 0.0014851700000000 ] - [ -0.0006590700000000, -0.0000600500000000, -0.0009099200000000 ] - [ -0.0078300800000000, -0.0249113900000000, 0.0492403000000000 ] - [ 0.0002444200000000, 0.0005772100000000, -0.0011364900000000 ] - [ -0.0005342500000000, 0.0008918600000000, 0.0017259100000000 ] - [ 0.0001494800000000, -0.0001352700000000, -0.0008961600000000 ] - [ 0.0003812400000000, -0.0011776100000000, 0.0017323000000000 ] - [ -0.0001865500000000, -0.0000483100000000, -0.0008975200000000 ] - [ -0.0003088700000000, 0.0000510600000000, -0.0000224800000000 ] - [ 0.0000255400000000, 0.0001723300000000, -0.0007946900000000 ] - [ 0.0004152700000000, 0.0016230200000000, 0.0007274800000000 ] - [ -0.0003677100000000, -0.0000774600000000, -0.0008825700000000 ] - [ 0.0020653000000000, 0.0001858300000000, 0.0007421400000000 ] - [ 0.0001225000000000, 0.0003725000000000, -0.0008844100000000 ] - [ -0.0053843400000000, -0.0042657700000000, 0.0492811100000000 ] - [ 0.0002887400000000, -0.0002653600000000, -0.0010411600000000 ] - [ 0.0006945000000000, 0.0010719200000000, 0.0013342900000000 ] - [ -0.0001285300000000, 0.0004624000000000, -0.0010563400000000 ] - [ 0.0001919500000000, -0.0001658700000000, 0.0010977700000000 ] - [ 0.0005167400000000, -0.0002812800000000, -0.0009471300000000 ] - [ -0.0003029000000000, -0.0002443400000000, 0.0004314100000000 ] - [ -0.0006227800000000, -0.0003211600000000, -0.0006802200000000 ] - [ -0.0074591600000000, 0.0002422200000000, -0.0054144800000000 ] - [ 0.0011945800000000, -0.0002886500000000, -0.0018469200000000 ] - [ -0.0010613900000000, 0.0001679000000000, 0.0007540900000000 ] - [ -0.0004719900000000, 0.0001720000000000, -0.0006757000000000 ] - [ 0.0002314600000000, -0.0000450400000000, 0.0006339800000000 ] - [ 0.0003280700000000, 0.0004014200000000, -0.0004400600000000 ] - [ 0.0012769100000000, 0.0005217900000000, 0.0005000600000000 ] - [ -0.0003122100000000, -0.0000889400000000, -0.0004485900000000 ] - [ 0.0028174400000000, 0.0000090600000000, -0.0007713900000000 ] - [ -0.0009351300000000, 0.0004397900000000, -0.0017548600000000 ] - [ -0.0001482700000000, 0.0014631700000000, 0.0009806100000000 ] - [ -0.0004307400000000, -0.0003211200000000, -0.0012854300000000 ] - [ -0.0042989500000000, 0.0009922100000000, 0.0016245000000000 ] - [ 0.0001985000000000, -0.0000912900000000, -0.0006790500000000 ] - [ 0.0008422200000000, -0.0011989500000000, 0.0017669500000000 ] - [ 0.0000548100000000, 0.0007875100000000, -0.0008842700000000 ] - [ 0.0004299000000000, 0.0002084300000000, 0.0003343800000000 ] - [ 0.0003067700000000, -0.0006762100000000, -0.0007081100000000 ] - [ -0.0004792700000000, 0.0046133600000000, -0.0007049300000000 ] - [ 0.0002178100000000, 0.0001272700000000, -0.0012755200000000 ] - [ 0.0000438500000000, -0.0005727800000000, 0.0005405700000000 ] - [ 0.0005208700000000, -0.0001340500000000, -0.0006682900000000 ] - [ -0.0009061400000000, -0.0000315300000000, 0.0004591100000000 ] - [ -0.0004901700000000, -0.0001572100000000, -0.0005701400000000 ] - [ -0.0001864000000000, -0.0006560100000000, 0.0006600500000000 ] - [ 0.0004284800000000, -0.0004738100000000, -0.0005154000000000 ] - [ 0.0026677700000000, -0.0024619900000000, -0.0006213600000000 ] - [ -0.0007871200000000, 0.0003902700000000, -0.0011327800000000 ] - [ 0.0003477200000000, 0.0006032200000000, 0.0005472000000000 ] - [ 0.0001247400000000, 0.0003602300000000, -0.0005272300000000 ] - [ 0.0017274100000000, 0.0024040600000000, -0.0008104400000000 ] - [ 0.0002650500000000, -0.0010414200000000, -0.0017805700000000 ] - [ 0.0009192900000000, 0.0005389300000000, 0.0004757800000000 ] - [ -0.0003992000000000, -0.0005504600000000, -0.0004371300000000 ] - [ 0.0010019000000000, -0.0005559400000000, 0.0009289600000000 ] - [ -0.0006974900000000, 0.0000655300000000, -0.0012993400000000 ] - [ -0.0014235600000000, 0.0013118200000000, 0.0017072200000000 ] - [ -0.0001017200000000, -0.0003413300000000, -0.0008797700000000 ] - [ -0.0008597800000000, -0.0034150300000000, 0.0015676000000000 ] - [ 0.0004434700000000, 0.0009335000000000, -0.0006690000000000 ] - [ 0.0007889500000000, -0.0004438900000000, 0.0003098600000000 ] - [ -0.0000437800000000, -0.0000962800000000, -0.0007041600000000 ] - [ -0.0000981300000000, -0.0000022300000000, 0.0005770400000000 ] - [ 0.0002015000000000, 0.0004911200000000, -0.0008120500000000 ] - [ -0.0027187000000000, -0.0070956900000000, -0.0053530000000000 ] - [ 0.0010780200000000, 0.0004553900000000, -0.0020088900000000 ] - [ 0.0002057300000000, -0.0003904000000000, -0.0032298700000000 ] - [ -0.0000736400000000, 0.0000500200000000, 0.0017667400000000 ] - [ -0.0031129000000000, -0.0078033200000000, -0.0005871000000000 ] - [ 0.0000295700000000, 0.0003481100000000, 0.0022584000000000 ] - [ -0.0084231500000000, 0.0012765100000000, -0.0003910900000000 ] - [ 0.0002406900000000, -0.0001577600000000, 0.0022700800000000 ] - [ 0.0011876800000000, -0.0048489900000000, 0.0066051400000000 ] - [ -0.0036982800000000, 0.0034665700000000, 0.0066973500000000 ] - [ -0.0005629600000000, -0.0000421800000000, 0.0005848000000000 ] - [ 0.0010183000000000, 0.0004837700000000, 0.0008761700000000 ] - [ -0.0026034800000000, 0.0057797900000000, -0.0036641000000000 ] - [ 0.0001048100000000, -0.0003613400000000, 0.0020255500000000 ] - [ -0.0001979800000000, 0.0002906000000000, -0.0031428600000000 ] - [ 0.0000506900000000, -0.0001645900000000, 0.0017644100000000 ] - [ 0.0037171200000000, -0.0051232100000000, -0.0034477900000000 ] - [ -0.0002289700000000, 0.0003565400000000, 0.0020302200000000 ] - [ 0.0008229600000000, 0.0006143200000000, 0.0009011200000000 ] - [ -0.0004035200000000, -0.0004647500000000, 0.0005443700000000 ] - [ -0.0006447200000000, 0.0012842800000000, 0.0012675400000000 ] - [ 0.0007980200000000, -0.0012234700000000, 0.0012383400000000 ] - [ 0.0086290900000000, 0.0046587900000000, -0.0067265100000000 ] - [ -0.0003731400000000, -0.0001560500000000, 0.0023863800000000 ] - [ 0.0083695400000000, 0.0051555500000000, -0.0070132500000000 ] - [ -0.0003125200000000, -0.0002369600000000, 0.0023918800000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0040205500000000, -0.0097664000000000, 0.0008296900000000 ] - [ -0.0000486800000000, -0.0002580700000000, -0.0000298200000000 ] - [ -0.0040205500000000, 0.0097664000000000, -0.0008296900000000 ] - [ -0.0000486800000000, 0.0002580700000000, 0.0000298200000000 ] - [ 0.0130002400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004656100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.4710364800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005953300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0013133300000000, 0.0077395500000000, -0.0044483900000000 ] - [ -0.0000282700000000, 0.0007549000000000, 0.0008382900000000 ] - [ 0.0071452300000000, -0.0042407800000000, 0.0030482500000000 ] - [ 0.0007741100000000, -0.0005234900000000, -0.0013739800000000 ] - [ -0.0073822100000000, -0.0055662300000000, 0.0014077000000000 ] - [ -0.0006666200000000, -0.0005765700000000, 0.0005373600000000 ] - [ 0.0024019000000000, -0.0020981800000000, 0.0000015600000000 ] - [ 0.0008279100000000, -0.0005669000000000, -0.0000004100000000 ] - [ 0.0071452300000000, 0.0042407800000000, -0.0030482500000000 ] - [ 0.0007741100000000, 0.0005234900000000, 0.0013739800000000 ] - [ -0.0013133300000000, -0.0077395500000000, 0.0044483900000000 ] - [ -0.0000282700000000, -0.0007549000000000, -0.0008382900000000 ] - [ -0.0073822100000000, 0.0055662300000000, -0.0014077000000000 ] - [ -0.0006666200000000, 0.0005765700000000, -0.0005373600000000 ] - [ 0.0024019000000000, 0.0020981800000000, -0.0000015600000000 ] - [ 0.0008279100000000, 0.0005669000000000, 0.0000004100000000 ] - [ 0.0034783200000000, -0.0027622700000000, -0.0002743000000000 ] - [ -0.0004393800000000, -0.0000374700000000, -0.0000257600000000 ] - [ -0.0078253300000000, 0.0002061800000000, 0.0011483900000000 ] - [ -0.0000984200000000, -0.0005162600000000, 0.0001121900000000 ] - [ 0.0034783200000000, 0.0027622700000000, 0.0002743000000000 ] - [ -0.0004393800000000, 0.0000374700000000, 0.0000257600000000 ] - [ -0.0032406200000000, 0.0123159600000000, -0.0012066300000000 ] - [ 0.0003684700000000, 0.0005492500000000, 0.0000759900000000 ] - [ 0.2240939400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004324900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0969647800000000, 0.0807890700000000, 0.0052690100000000 ] - [ 0.0002498500000000, -0.0001374600000000, 0.0001088700000000 ] - [ 0.0969647800000000, -0.0807890700000000, -0.0052690100000000 ] - [ 0.0002498500000000, 0.0001374600000000, -0.0001088700000000 ] - [ -0.0182794600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007245500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0031272000000000, -0.0080016700000000, 0.0001937300000000 ] - [ 0.0001814000000000, 0.0001254600000000, -0.0000524100000000 ] - [ -0.0031272000000000, 0.0080016700000000, -0.0001937300000000 ] - [ 0.0001814000000000, -0.0001254600000000, 0.0000524100000000 ] - [ -0.0078253300000000, -0.0002061800000000, -0.0011483900000000 ] - [ -0.0000984200000000, 0.0005162600000000, -0.0001121900000000 ] - [ -0.0032406200000000, -0.0123159600000000, 0.0012066300000000 ] - [ 0.0003684700000000, -0.0005492500000000, -0.0000759900000000 ] - [ 0.0066287100000000, -0.0038325100000000, 0.0000355200000000 ] - [ 0.0001591000000000, -0.0002096300000000, -0.0009136200000000 ] - [ 0.0005228500000000, 0.0018895300000000, -0.0003377300000000 ] - [ 0.0002302000000000, -0.0000862800000000, -0.0000290000000000 ] - [ -0.0055146100000000, 0.0007775900000000, -0.0000252400000000 ] - [ -0.0014449700000000, 0.0002898900000000, 0.0002893200000000 ] - [ -0.0004696500000000, -0.0027842500000000, 0.0005739300000000 ] - [ 0.0001335700000000, -0.0002380200000000, -0.0000444200000000 ] - [ -0.0016167000000000, -0.0007243100000000, -0.0008296200000000 ] - [ -0.0004602200000000, -0.0001574800000000, 0.0004872600000000 ] - [ 0.0002084000000000, 0.0014094000000000, -0.0004575800000000 ] - [ -0.0000723500000000, 0.0003282800000000, 0.0000812800000000 ] - [ -0.0027879200000000, 0.0023826100000000, 0.0012830900000000 ] - [ -0.0009222200000000, 0.0008783400000000, -0.0005705300000000 ] - [ 0.0027875700000000, -0.0023130200000000, -0.0041927900000000 ] - [ 0.0003521400000000, -0.0001359700000000, 0.0003552000000000 ] - [ -0.0014869200000000, 0.0034258100000000, -0.0040757700000000 ] - [ 0.0002588800000000, 0.0007128100000000, 0.0006212500000000 ] - [ -0.0036976400000000, -0.0042064400000000, 0.0082837100000000 ] - [ 0.0001955900000000, -0.0008460000000000, -0.0009767700000000 ] - [ 0.0070764900000000, 0.0089104400000000, 0.0077955000000000 ] - [ 0.0005182300000000, 0.0006591000000000, -0.0004997900000000 ] - [ -0.0030986300000000, 0.0018277200000000, -0.0080784100000000 ] - [ 0.0006608400000000, -0.0005783200000000, 0.0011977200000000 ] - [ -0.0055146100000000, -0.0007775900000000, 0.0000252400000000 ] - [ -0.0014449700000000, -0.0002898900000000, -0.0002893200000000 ] - [ 0.0070764900000000, -0.0089104400000000, -0.0077955000000000 ] - [ 0.0005182300000000, -0.0006591000000000, 0.0004997900000000 ] - [ 0.0066287100000000, 0.0038325100000000, -0.0000355200000000 ] - [ 0.0001591000000000, 0.0002096300000000, 0.0009136200000000 ] - [ -0.0030986300000000, -0.0018277200000000, 0.0080784100000000 ] - [ 0.0006608400000000, 0.0005783200000000, -0.0011977200000000 ] - [ -0.0016167000000000, 0.0007243100000000, 0.0008296200000000 ] - [ -0.0004602200000000, 0.0001574800000000, -0.0004872600000000 ] - [ -0.0027879200000000, -0.0023826100000000, -0.0012830900000000 ] - [ -0.0009222200000000, -0.0008783400000000, 0.0005705300000000 ] - [ 0.0002084000000000, -0.0014094000000000, 0.0004575800000000 ] - [ -0.0000723500000000, -0.0003282800000000, -0.0000812800000000 ] - [ 0.0027875700000000, 0.0023130200000000, 0.0041927900000000 ] - [ 0.0003521400000000, 0.0001359700000000, -0.0003552000000000 ] - [ -0.0036976400000000, 0.0042064400000000, -0.0082837100000000 ] - [ 0.0001955900000000, 0.0008460000000000, 0.0009767700000000 ] - [ -0.0014869200000000, -0.0034258100000000, 0.0040757700000000 ] - [ 0.0002588800000000, -0.0007128100000000, -0.0006212500000000 ] - [ 0.0005228500000000, -0.0018895300000000, 0.0003377300000000 ] - [ 0.0002302000000000, 0.0000862800000000, 0.0000290000000000 ] - [ -0.0004696500000000, 0.0027842500000000, -0.0005739300000000 ] - [ 0.0001335700000000, 0.0002380200000000, 0.0000444200000000 ] - [ 0.0176444100000000, 0.0149520600000000, 0.0114137200000000 ] - [ -0.0000338900000000, 0.0004128600000000, -0.0004773600000000 ] - [ 0.0305838500000000, -0.0203069500000000, -0.0240983700000000 ] - [ 0.0000660900000000, -0.0002247600000000, 0.0005548000000000 ] - [ -0.0064340800000000, 0.0140287400000000, -0.0127832700000000 ] - [ -0.0006627200000000, -0.0000041600000000, 0.0000818500000000 ] - [ 0.0005164100000000, -0.0020681500000000, -0.0005207600000000 ] - [ 0.0001788700000000, -0.0025198400000000, 0.0014696700000000 ] - [ 0.0001788700000000, 0.0025198400000000, -0.0014696700000000 ] - [ 0.0005164100000000, 0.0020681500000000, 0.0005207600000000 ] - [ -0.0064340800000000, -0.0140287400000000, 0.0127832700000000 ] - [ -0.0006627200000000, 0.0000041600000000, -0.0000818500000000 ] - [ 0.0305838500000000, 0.0203069500000000, 0.0240983700000000 ] - [ 0.0000660900000000, 0.0002247600000000, -0.0005548000000000 ] - [ 0.0176444100000000, -0.0149520600000000, -0.0114137200000000 ] - [ -0.0000338900000000, -0.0004128600000000, 0.0004773600000000 ] - [ 0.0042000500000000, 0.0005191400000000, 0.0019883800000000 ] - [ 0.0042000500000000, -0.0005191400000000, -0.0019883800000000 ] - [ -0.0078298900000000, -0.0002748900000000, 0.0000254600000000 ] - [ -0.0078298900000000, 0.0002748900000000, -0.0000254600000000 ] - [ 0.0052746500000000, -0.0022221400000000, -0.0000050500000000 ] - [ 0.0004559100000000, 0.0000352800000000, 0.0000007600000000 ] - [ 0.0052746500000000, 0.0022221400000000, 0.0000050500000000 ] - [ 0.0004559100000000, -0.0000352800000000, -0.0000007600000000 ]- atom: 7 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0039921000000000, 0.0098691400000000, -0.0008318300000000 ] - [ -0.0000035900000000, 0.0003020300000000, 0.0000320900000000 ] - [ 0.0039921000000000, -0.0098691400000000, 0.0008318300000000 ] - [ -0.0000035900000000, -0.0003020300000000, -0.0000320900000000 ] - [ -0.0129971600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004590000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.4891174900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005667400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012913200000000, -0.0077336700000000, 0.0044677500000000 ] - [ -0.0000239100000000, -0.0007137900000000, -0.0008356200000000 ] - [ -0.0072005500000000, 0.0041663000000000, -0.0030362000000000 ] - [ -0.0008279400000000, 0.0004798200000000, 0.0013715400000000 ] - [ 0.0074282200000000, 0.0055796900000000, -0.0014241500000000 ] - [ 0.0006757100000000, 0.0005818600000000, -0.0005341600000000 ] - [ -0.0024372800000000, 0.0021149900000000, 0.0000015500000000 ] - [ -0.0008594200000000, 0.0005749600000000, -0.0000004300000000 ] - [ -0.0072005500000000, -0.0041663000000000, 0.0030362000000000 ] - [ -0.0008279400000000, -0.0004798200000000, -0.0013715400000000 ] - [ 0.0012913200000000, 0.0077336700000000, -0.0044677500000000 ] - [ -0.0000239100000000, 0.0007137900000000, 0.0008356200000000 ] - [ 0.0074282200000000, -0.0055796900000000, 0.0014241500000000 ] - [ 0.0006757100000000, -0.0005818600000000, 0.0005341600000000 ] - [ -0.0024372800000000, -0.0021149900000000, -0.0000015500000000 ] - [ -0.0008594200000000, -0.0005749600000000, 0.0000004300000000 ] - [ -0.0044675200000000, 0.0024746200000000, 0.0001340500000000 ] - [ -0.0005399700000000, -0.0002470500000000, -0.0001152300000000 ] - [ 0.0080812100000000, -0.0012318300000000, -0.0010025400000000 ] - [ 0.0003740200000000, -0.0004914200000000, 0.0000323200000000 ] - [ -0.0044675200000000, -0.0024746200000000, -0.0001340500000000 ] - [ -0.0005399700000000, 0.0002470500000000, 0.0001152300000000 ] - [ 0.0040282200000000, -0.0116788400000000, 0.0013522600000000 ] - [ 0.0003929200000000, 0.0001697200000000, 0.0000660700000000 ] - [ -0.2431987700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001358300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0961029100000000, -0.0773157100000000, -0.0052768400000000 ] - [ -0.0003679300000000, -0.0001100400000000, -0.0001106800000000 ] - [ -0.0961029100000000, 0.0773157100000000, 0.0052768400000000 ] - [ -0.0003679300000000, 0.0001100400000000, 0.0001106800000000 ] - [ 0.0174719500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000018600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0035903500000000, 0.0087605600000000, -0.0001999700000000 ] - [ 0.0002218700000000, 0.0005221000000000, 0.0000518100000000 ] - [ 0.0035903500000000, -0.0087605600000000, 0.0001999700000000 ] - [ 0.0002218700000000, -0.0005221000000000, -0.0000518100000000 ] - [ 0.0080812100000000, 0.0012318300000000, 0.0010025400000000 ] - [ 0.0003740200000000, 0.0004914200000000, -0.0000323200000000 ] - [ 0.0040282200000000, 0.0116788400000000, -0.0013522600000000 ] - [ 0.0003929200000000, -0.0001697200000000, -0.0000660700000000 ] - [ -0.0076590400000000, 0.0035885300000000, -0.0001723800000000 ] - [ -0.0011436800000000, -0.0000398100000000, 0.0007717700000000 ] - [ -0.0002180200000000, -0.0028768000000000, 0.0004832000000000 ] - [ 0.0000775000000000, -0.0009014200000000, 0.0001739900000000 ] - [ 0.0045446500000000, -0.0005269300000000, 0.0001643000000000 ] - [ 0.0004684900000000, -0.0000420400000000, -0.0001449900000000 ] - [ 0.0011902700000000, 0.0035331900000000, -0.0004367200000000 ] - [ 0.0005945300000000, 0.0009775300000000, 0.0001869200000000 ] - [ 0.0019843200000000, 0.0007031800000000, 0.0008287700000000 ] - [ 0.0008214800000000, 0.0001394500000000, -0.0004903000000000 ] - [ -0.0003732200000000, -0.0017132000000000, 0.0004573100000000 ] - [ -0.0000918000000000, -0.0006247300000000, -0.0000863400000000 ] - [ 0.0026612400000000, -0.0020852900000000, -0.0012903900000000 ] - [ 0.0007903800000000, -0.0005746800000000, 0.0005746100000000 ] - [ -0.0035846500000000, 0.0023196200000000, 0.0042305500000000 ] - [ -0.0011438000000000, 0.0001259700000000, -0.0003570800000000 ] - [ 0.0019363100000000, -0.0027108000000000, 0.0041001900000000 ] - [ 0.0001709400000000, -0.0000003500000000, -0.0006241000000000 ] - [ 0.0041546900000000, 0.0035239600000000, -0.0083157700000000 ] - [ 0.0002487200000000, 0.0001467900000000, 0.0009807900000000 ] - [ -0.0068311200000000, -0.0079664700000000, -0.0079893500000000 ] - [ -0.0002138100000000, 0.0003301100000000, 0.0003524000000000 ] - [ 0.0038449800000000, -0.0025704600000000, 0.0079148600000000 ] - [ 0.0000739000000000, -0.0001632200000000, -0.0013396100000000 ] - [ 0.0045446500000000, 0.0005269300000000, -0.0001643000000000 ] - [ 0.0004684900000000, 0.0000420400000000, 0.0001449900000000 ] - [ -0.0068311200000000, 0.0079664700000000, 0.0079893500000000 ] - [ -0.0002138100000000, -0.0003301100000000, -0.0003524000000000 ] - [ -0.0076590400000000, -0.0035885300000000, 0.0001723800000000 ] - [ -0.0011436800000000, 0.0000398100000000, -0.0007717700000000 ] - [ 0.0038449800000000, 0.0025704600000000, -0.0079148600000000 ] - [ 0.0000739000000000, 0.0001632200000000, 0.0013396100000000 ] - [ 0.0019843200000000, -0.0007031800000000, -0.0008287700000000 ] - [ 0.0008214800000000, -0.0001394500000000, 0.0004903000000000 ] - [ 0.0026612400000000, 0.0020852900000000, 0.0012903900000000 ] - [ 0.0007903800000000, 0.0005746800000000, -0.0005746100000000 ] - [ -0.0003732200000000, 0.0017132000000000, -0.0004573100000000 ] - [ -0.0000918000000000, 0.0006247300000000, 0.0000863400000000 ] - [ -0.0035846500000000, -0.0023196200000000, -0.0042305500000000 ] - [ -0.0011438000000000, -0.0001259700000000, 0.0003570800000000 ] - [ 0.0041546900000000, -0.0035239600000000, 0.0083157700000000 ] - [ 0.0002487200000000, -0.0001467900000000, -0.0009807900000000 ] - [ 0.0019363100000000, 0.0027108000000000, -0.0041001900000000 ] - [ 0.0001709400000000, 0.0000003500000000, 0.0006241000000000 ] - [ -0.0002180200000000, 0.0028768000000000, -0.0004832000000000 ] - [ 0.0000775000000000, 0.0009014200000000, -0.0001739900000000 ] - [ 0.0011902700000000, -0.0035331900000000, 0.0004367200000000 ] - [ 0.0005945300000000, -0.0009775300000000, -0.0001869200000000 ] - [ -0.0176987500000000, -0.0148958300000000, -0.0113674000000000 ] - [ 0.0000358600000000, -0.0004864800000000, 0.0004759800000000 ] - [ -0.0309117900000000, 0.0205123200000000, 0.0243014300000000 ] - [ -0.0000654400000000, 0.0003027200000000, -0.0005601300000000 ] - [ 0.0063450400000000, -0.0141042500000000, 0.0128336500000000 ] - [ 0.0005421600000000, 0.0000074200000000, -0.0000797900000000 ] - [ -0.0005252900000000, 0.0020009200000000, 0.0005260300000000 ] - [ -0.0001790000000000, 0.0024521300000000, -0.0014744200000000 ] - [ -0.0001790000000000, -0.0024521300000000, 0.0014744200000000 ] - [ -0.0005252900000000, -0.0020009200000000, -0.0005260300000000 ] - [ 0.0063450400000000, 0.0141042500000000, -0.0128336500000000 ] - [ 0.0005421600000000, -0.0000074200000000, 0.0000797900000000 ] - [ -0.0309117900000000, -0.0205123200000000, -0.0243014300000000 ] - [ -0.0000654400000000, -0.0003027200000000, 0.0005601300000000 ] - [ -0.0176987500000000, 0.0148958300000000, 0.0113674000000000 ] - [ 0.0000358600000000, 0.0004864800000000, -0.0004759800000000 ] - [ -0.0043294400000000, -0.0005245400000000, -0.0020026200000000 ] - [ -0.0043294400000000, 0.0005245400000000, 0.0020026200000000 ] - [ 0.0078256500000000, 0.0002787300000000, 0.0000255100000000 ] - [ 0.0078256500000000, -0.0002787300000000, -0.0000255100000000 ] - [ -0.0053024200000000, 0.0022498400000000, -0.0000051300000000 ] - [ -0.0004683900000000, -0.0000338500000000, 0.0000006700000000 ] - [ -0.0053024200000000, -0.0022498400000000, 0.0000051300000000 ] - [ -0.0004683900000000, 0.0000338500000000, -0.0000006700000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000874000000000, -0.0000126300000000, -0.0015034400000000 ] - [ 0.0000329100000000, 0.0000455300000000, 0.0006633300000000 ] - [ 0.0000546400000000, -0.0000693800000000, -0.0015034400000000 ] - [ -0.0000558900000000, 0.0000057300000000, 0.0006633300000000 ] - [ 0.0000327600000000, 0.0000820100000000, -0.0015034400000000 ] - [ 0.0000229800000000, -0.0000512600000000, 0.0006633300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1600765200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008003600000000 ] - [ -0.0055299900000000, -0.0003079000000000, 0.0005806200000000 ] - [ 0.0007090600000000, 0.0002455300000000, 0.0010989800000000 ] - [ 0.0030316500000000, -0.0046351600000000, 0.0005806200000000 ] - [ -0.0005671600000000, 0.0004913000000000, 0.0010989800000000 ] - [ 0.0024983400000000, 0.0049430600000000, 0.0005806200000000 ] - [ -0.0001418900000000, -0.0007368300000000, 0.0010989800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003103900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005045700000000 ] - [ -0.0030165600000000, -0.0044928900000000, 0.0005988900000000 ] - [ 0.0005540100000000, 0.0005402900000000, 0.0011061000000000 ] - [ 0.0053992300000000, -0.0003659700000000, 0.0005988900000000 ] - [ -0.0007449100000000, 0.0002096400000000, 0.0011061000000000 ] - [ -0.0023826800000000, 0.0048588600000000, 0.0005988900000000 ] - [ 0.0001909000000000, -0.0007499400000000, 0.0011061000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002952000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005032500000000 ] - [ -0.0003676300000000, 0.0002825000000000, 0.0014889500000000 ] - [ -0.0004741000000000, -0.0003802800000000, -0.0009568500000000 ] - [ -0.0001417000000000, -0.0008203200000000, 0.0016343600000000 ] - [ 0.0003446800000000, -0.0004065800000000, -0.0008134300000000 ] - [ -0.0006395700000000, 0.0005328800000000, 0.0016343600000000 ] - [ -0.0005244500000000, -0.0000952100000000, -0.0008134300000000 ] - [ 0.0007812700000000, 0.0002874400000000, 0.0016343600000000 ] - [ 0.0001797700000000, 0.0005017900000000, -0.0008134300000000 ] - [ 0.0007299200000000, 0.0073233500000000, 0.0517572600000000 ] - [ 0.0001420000000000, -0.0001593400000000, -0.0009673800000000 ] - [ 0.0059772500000000, -0.0042938000000000, 0.0517572600000000 ] - [ -0.0002089900000000, -0.0000433000000000, -0.0009673800000000 ] - [ -0.0067071700000000, -0.0030295500000000, 0.0517572600000000 ] - [ 0.0000670000000000, 0.0002026500000000, -0.0009673800000000 ] - [ -0.0004358800000000, 0.0000018200000000, 0.0000148800000000 ] - [ -0.0003732600000000, -0.0000064200000000, -0.0007955600000000 ] - [ 0.0002195100000000, 0.0003765700000000, 0.0000148800000000 ] - [ 0.0001810700000000, 0.0003264700000000, -0.0007955600000000 ] - [ 0.0002163600000000, -0.0003783900000000, 0.0000148800000000 ] - [ 0.0001921900000000, -0.0003200400000000, -0.0007955600000000 ] - [ 0.0004284700000000, 0.0001771300000000, 0.0014889500000000 ] - [ -0.0000922800000000, 0.0006007200000000, -0.0009568500000000 ] - [ -0.0000608300000000, -0.0004596300000000, 0.0014889500000000 ] - [ 0.0005663800000000, -0.0002204400000000, -0.0009568500000000 ] - [ 0.0017779000000000, 0.0029566800000000, -0.0011747600000000 ] - [ -0.0006224500000000, -0.0007780300000000, -0.0015093100000000 ] - [ 0.0000549000000000, -0.0023963500000000, 0.0004182300000000 ] - [ 0.0002066200000000, -0.0000444500000000, -0.0005963500000000 ] - [ -0.0021027500000000, 0.0011506400000000, 0.0004182300000000 ] - [ -0.0001418100000000, -0.0001567100000000, -0.0005963500000000 ] - [ 0.0020478600000000, 0.0012457200000000, 0.0004182300000000 ] - [ -0.0000648100000000, 0.0002011700000000, -0.0005963500000000 ] - [ -0.0001557900000000, -0.0003582800000000, 0.0004238100000000 ] - [ 0.0002345800000000, -0.0000544800000000, -0.0005982300000000 ] - [ -0.0002323800000000, 0.0003140600000000, 0.0004238100000000 ] - [ -0.0001644700000000, -0.0001759200000000, -0.0005982300000000 ] - [ 0.0003881700000000, 0.0000442200000000, 0.0004238100000000 ] - [ -0.0000701100000000, 0.0002304000000000, -0.0005982300000000 ] - [ -0.0018376600000000, -0.0007606900000000, 0.0011313500000000 ] - [ -0.0001724400000000, 0.0002187900000000, -0.0007425900000000 ] - [ 0.0002600600000000, 0.0019718100000000, 0.0011313500000000 ] - [ 0.0002757000000000, 0.0000399400000000, -0.0007425900000000 ] - [ 0.0015776000000000, -0.0012111200000000, 0.0011313500000000 ] - [ -0.0001032600000000, -0.0002587300000000, -0.0007425900000000 ] - [ 0.0016716100000000, -0.0030180500000000, -0.0011747600000000 ] - [ -0.0003625700000000, 0.0009280700000000, -0.0015093100000000 ] - [ -0.0034495100000000, 0.0000613700000000, -0.0011747600000000 ] - [ 0.0009850200000000, -0.0001500400000000, -0.0015093100000000 ] - [ 0.0010763900000000, 0.0008789600000000, 0.0002542100000000 ] - [ -0.0008633000000000, -0.0004042000000000, -0.0007373200000000 ] - [ -0.0013506500000000, -0.0039314200000000, -0.0010403800000000 ] - [ 0.0006527100000000, -0.0000585000000000, -0.0013723400000000 ] - [ -0.0027293900000000, 0.0031354100000000, -0.0010403800000000 ] - [ -0.0003770200000000, -0.0005360100000000, -0.0013723400000000 ] - [ 0.0040800400000000, 0.0007960100000000, -0.0010403800000000 ] - [ -0.0002756900000000, 0.0005945200000000, -0.0013723400000000 ] - [ 0.0004968200000000, -0.0003360600000000, 0.0004030600000000 ] - [ 0.0001086600000000, -0.0000367000000000, -0.0005929000000000 ] - [ -0.0005394400000000, -0.0002622300000000, 0.0004030600000000 ] - [ -0.0000861200000000, -0.0000757500000000, -0.0005929000000000 ] - [ 0.0000426200000000, 0.0005982900000000, 0.0004030600000000 ] - [ -0.0000225400000000, 0.0001124500000000, -0.0005929000000000 ] - [ 0.0009938500000000, -0.0007417500000000, 0.0010942500000000 ] - [ -0.0006473200000000, 0.0002327300000000, -0.0007399300000000 ] - [ -0.0011393000000000, -0.0004898300000000, 0.0010942500000000 ] - [ 0.0005252100000000, 0.0004442300000000, -0.0007399300000000 ] - [ 0.0001454500000000, 0.0012315800000000, 0.0010942500000000 ] - [ 0.0001221100000000, -0.0006769600000000, -0.0007399300000000 ] - [ 0.0002230100000000, -0.0013716600000000, 0.0002542100000000 ] - [ 0.0000816000000000, 0.0009497400000000, -0.0007373200000000 ] - [ -0.0012994000000000, 0.0004927000000000, 0.0002542100000000 ] - [ 0.0007817000000000, -0.0005455400000000, -0.0007373200000000 ] - [ 0.0025696700000000, 0.0060094500000000, -0.0040389400000000 ] - [ -0.0001617400000000, -0.0003212600000000, 0.0018827400000000 ] - [ -0.0064891700000000, -0.0007793300000000, -0.0040389400000000 ] - [ 0.0003590800000000, 0.0000205600000000, 0.0018827400000000 ] - [ -0.0039547800000000, -0.0052719800000000, -0.0038154900000000 ] - [ 0.0001163900000000, 0.0003084000000000, 0.0018853100000000 ] - [ -0.0001626400000000, -0.0000220200000000, 0.0008526600000000 ] - [ -0.0000620300000000, -0.0001980400000000, 0.0008345100000000 ] - [ 0.0001003900000000, -0.0001298400000000, 0.0008526600000000 ] - [ 0.0002025200000000, 0.0000453000000000, 0.0008345100000000 ] - [ 0.0039195000000000, -0.0052301200000000, -0.0040389400000000 ] - [ -0.0001973500000000, 0.0003007000000000, 0.0018827400000000 ] - [ 0.0065430600000000, -0.0007889400000000, -0.0038154900000000 ] - [ -0.0003252700000000, -0.0000534000000000, 0.0018853100000000 ] - [ -0.0025882800000000, 0.0060609300000000, -0.0038154900000000 ] - [ 0.0002088800000000, -0.0002549900000000, 0.0018853100000000 ] - [ 0.0000622500000000, 0.0001518600000000, 0.0008526600000000 ] - [ -0.0001404900000000, 0.0001527400000000, 0.0008345100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110890300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112238900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027974900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019228500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028738500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019245300000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2473602200000000, 0.0057901900000000, -0.0251718900000000 ] - [ 0.0002651500000000, 0.0000510100000000, 0.0001226300000000 ] - [ -0.0114246600000000, -0.0092744800000000, -0.0007488700000000 ] - [ -0.0003013500000000, -0.0000061500000000, 0.0001642300000000 ] - [ -0.0019108000000000, -0.0003051000000000, 0.0002502600000000 ] - [ -0.0000183100000000, -0.0000483900000000, -0.0000040300000000 ] - [ 0.0039695600000000, 0.0075751200000000, 0.0001359300000000 ] - [ 0.0000536600000000, 0.0001568300000000, 0.0000255100000000 ] - [ -0.0019624300000000, -0.0021217500000000, -0.0004182000000000 ] - [ -0.0007894500000000, -0.0010364300000000, 0.0000131200000000 ] - [ 0.0032870600000000, 0.0031904400000000, 0.0005565900000000 ] - [ 0.0001352400000000, 0.0003627100000000, -0.0000244900000000 ] - [ 0.0074296600000000, 0.0003859300000000, -0.0043230500000000 ] - [ 0.0011074300000000, 0.0003171700000000, 0.0003471100000000 ] - [ -0.0050164800000000, -0.0007263500000000, 0.0015772500000000 ] - [ -0.0009556500000000, -0.0001814700000000, -0.0003580400000000 ] - [ -0.0022137700000000, 0.0023628300000000, 0.0001956000000000 ] - [ -0.0003342600000000, 0.0004295800000000, -0.0001266200000000 ] - [ 0.0057851800000000, -0.0039482400000000, -0.0031969900000000 ] - [ 0.0004685100000000, -0.0004094400000000, 0.0002869700000000 ] - [ -0.0034477700000000, -0.0000873000000000, -0.0000181500000000 ] - [ -0.0005698300000000, 0.0000950200000000, 0.0001229500000000 ] - [ 0.0071656300000000, -0.0083019100000000, 0.0022375000000000 ] - [ 0.0006597000000000, 0.0000082500000000, -0.0001194800000000 ] - [ -0.4212191800000000, 0.0237375800000000, 0.0689133400000000 ] - [ -0.0007027000000000, -0.0001854500000000, -0.0001620600000000 ] - [ 0.0035725700000000, -0.0016411400000000, -0.0004403900000000 ] - [ 0.0002206700000000, -0.0004976000000000, 0.0000458700000000 ] - [ 0.0119332200000000, 0.0018514000000000, 0.0007748800000000 ] - [ -0.0002538500000000, 0.0001062800000000, 0.0000731000000000 ] - [ 0.0438996400000000, 0.0315077100000000, -0.0029036500000000 ] - [ 0.0002653300000000, 0.0003605800000000, 0.0000182500000000 ] - [ -0.0022424300000000, 0.0013526600000000, 0.0001159800000000 ] - [ 0.0001031900000000, -0.0000047500000000, -0.0000706800000000 ] - [ 0.0006258900000000, -0.0140689700000000, 0.0010119300000000 ] - [ -0.0001568000000000, -0.0002742100000000, -0.0000945000000000 ] - [ 0.0028600600000000, -0.0080783500000000, 0.0002134400000000 ] - [ -0.0000349200000000, 0.0000015700000000, -0.0000364800000000 ] - [ 0.0009516500000000, 0.0036900100000000, 0.0001593300000000 ] - [ -0.0003554000000000, 0.0000884400000000, 0.0000054600000000 ] - [ 0.0323101300000000, -0.0009440700000000, 0.0021825000000000 ] - [ 0.0002985300000000, 0.0003663800000000, -0.0000818300000000 ] - [ 0.0542866500000000, -0.0370866600000000, -0.0071285600000000 ] - [ 0.0000895600000000, -0.0003187200000000, -0.0000297100000000 ] - [ -0.0026611900000000, -0.0002489100000000, -0.0009170700000000 ] - [ 0.0000698100000000, 0.0005331400000000, -0.0001372100000000 ] - [ 0.0043159400000000, 0.0042915100000000, -0.0004497900000000 ] - [ 0.0004546000000000, -0.0003078600000000, -0.0002426900000000 ] - [ 0.0011285200000000, -0.0001235700000000, -0.0003909200000000 ] - [ 0.0000270800000000, -0.0000675500000000, 0.0001032500000000 ] - [ -0.0058038400000000, -0.0002299800000000, -0.0025930500000000 ] - [ -0.0008684700000000, -0.0005536300000000, 0.0001224100000000 ] - [ -0.0038873200000000, 0.0032069100000000, 0.0024150800000000 ] - [ -0.0007464200000000, 0.0002088500000000, 0.0000036300000000 ] - [ 0.0023664600000000, 0.0015765100000000, 0.0016793900000000 ] - [ 0.0013395500000000, 0.0015550000000000, -0.0013181200000000 ] - [ 0.0038192400000000, -0.0001702400000000, 0.0010465800000000 ] - [ 0.0009731000000000, -0.0000455500000000, -0.0001713400000000 ] - [ 0.0018910500000000, 0.0007444600000000, -0.0030338100000000 ] - [ 0.0003191500000000, -0.0001580800000000, 0.0007324400000000 ] - [ 0.0017787500000000, 0.0019913000000000, -0.0033023900000000 ] - [ 0.0001098200000000, 0.0003482600000000, 0.0003899700000000 ] - [ -0.0009250100000000, -0.0015398000000000, 0.0051666000000000 ] - [ -0.0007507000000000, -0.0005517400000000, -0.0010055800000000 ] - [ -0.0013237700000000, -0.0030869800000000, -0.0030698200000000 ] - [ -0.0000965200000000, 0.0000179700000000, 0.0002780200000000 ] - [ 0.0003333900000000, 0.0013426900000000, -0.0000894900000000 ] - [ 0.0002266700000000, 0.0002659100000000, 0.0000698600000000 ] - [ -0.0030339100000000, 0.0003471600000000, -0.0015880400000000 ] - [ -0.0002897300000000, 0.0002829800000000, -0.0000992000000000 ] - [ 0.0002801700000000, -0.0019177200000000, 0.0004161600000000 ] - [ 0.0004425500000000, -0.0006500600000000, -0.0001343700000000 ] - [ 0.0011314200000000, 0.0006769600000000, 0.0005654300000000 ] - [ 0.0000244900000000, 0.0000679000000000, -0.0002448400000000 ] - [ 0.0014536500000000, -0.0007676700000000, -0.0003271200000000 ] - [ 0.0003515000000000, -0.0005532100000000, 0.0000593700000000 ] - [ -0.0056793000000000, -0.0014914500000000, -0.0015473800000000 ] - [ -0.0009691300000000, 0.0001424000000000, 0.0000364300000000 ] - [ 0.0004116900000000, -0.0011463100000000, 0.0002737400000000 ] - [ 0.0002623300000000, 0.0000828400000000, 0.0000745500000000 ] - [ -0.0052054800000000, -0.0004233300000000, 0.0023044000000000 ] - [ -0.0002843900000000, -0.0001749700000000, -0.0002984600000000 ] - [ -0.0002691200000000, 0.0028954200000000, -0.0004333900000000 ] - [ -0.0000911900000000, -0.0000313300000000, 0.0002065700000000 ] - [ 0.0051536900000000, 0.0057506700000000, -0.0157788000000000 ] - [ -0.0005246900000000, 0.0003503000000000, 0.0003309000000000 ] - [ 0.0021933100000000, -0.0011315200000000, 0.0032518200000000 ] - [ -0.0001368300000000, -0.0001680000000000, -0.0005186300000000 ] - [ -0.0002705100000000, 0.0023720600000000, 0.0011210400000000 ] - [ 0.0001023200000000, 0.0006752900000000, -0.0002419700000000 ] - [ 0.0024168800000000, -0.0031442800000000, -0.0018535800000000 ] - [ 0.0005800700000000, -0.0007201400000000, 0.0005109700000000 ] - [ 0.0031184500000000, 0.0002853100000000, 0.0005458400000000 ] - [ 0.0006792200000000, 0.0005132900000000, -0.0000228500000000 ] - [ -0.0004123800000000, 0.0011847400000000, 0.0042152200000000 ] - [ 0.0000718200000000, -0.0000689900000000, -0.0006468300000000 ] - [ -0.0044988400000000, 0.0059386200000000, -0.0050404900000000 ] - [ -0.0003528700000000, 0.0001907200000000, 0.0003115100000000 ] - [ 0.0029589200000000, -0.0123751400000000, 0.0072549600000000 ] - [ 0.0002767800000000, -0.0001857300000000, -0.0000879200000000 ] - [ 0.0358415500000000, -0.0128942100000000, -0.0184938700000000 ] - [ 0.0002045400000000, 0.0000931400000000, -0.0000872500000000 ] - [ 0.0016357300000000, 0.0015289500000000, -0.0027680700000000 ] - [ 0.0010082000000000, 0.0003271600000000, 0.0024956100000000 ] - [ -0.0042689700000000, 0.0013405200000000, 0.0030564600000000 ] - [ -0.0016254100000000, -0.0000374600000000, -0.0019455000000000 ] - [ -0.0116112100000000, 0.0057842700000000, 0.0087723700000000 ] - [ -0.0001908500000000, 0.0002670600000000, -0.0002484600000000 ] - [ -0.0007921700000000, -0.0046904600000000, 0.0006418000000000 ] - [ -0.0001018500000000, -0.0003094900000000, 0.0000841700000000 ] - [ 0.0026951600000000, 0.0118271100000000, -0.0082869700000000 ] - [ 0.0001618300000000, 0.0002389700000000, 0.0002248000000000 ] - [ -0.0004161000000000, -0.0015854500000000, -0.0001366900000000 ] - [ -0.0007955500000000, -0.0020608300000000, 0.0002937200000000 ] - [ 0.0002995300000000, 0.0012134800000000, -0.0000149300000000 ] - [ 0.0003685900000000, 0.0008020000000000, -0.0000916400000000 ] - [ -0.0145165700000000, -0.0004594300000000, -0.0060484600000000 ] - [ -0.0003884300000000, -0.0000970600000000, 0.0003601000000000 ] - [ 0.0148314300000000, -0.0010426400000000, -0.0004409700000000 ] - [ 0.0004857100000000, -0.0002917700000000, 0.0006407300000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2674050400000000, -0.0065625200000000, 0.0278294500000000 ] - [ -0.0002917700000000, -0.0000164600000000, -0.0001200700000000 ] - [ 0.0114218900000000, 0.0091727800000000, 0.0007469600000000 ] - [ 0.0002771800000000, -0.0000424800000000, -0.0001624900000000 ] - [ 0.0019794000000000, 0.0003379100000000, -0.0002499100000000 ] - [ 0.0000610400000000, 0.0000486700000000, 0.0000033300000000 ] - [ -0.0039767500000000, -0.0076342400000000, -0.0001360600000000 ] - [ -0.0000481500000000, -0.0001496700000000, -0.0000249300000000 ] - [ 0.0019553200000000, 0.0021695900000000, 0.0004117200000000 ] - [ 0.0007628900000000, 0.0010741700000000, -0.0000085100000000 ] - [ -0.0033398300000000, -0.0032550100000000, -0.0005593200000000 ] - [ -0.0001676200000000, -0.0004078000000000, 0.0000256900000000 ] - [ -0.0073479900000000, -0.0004679800000000, 0.0044037300000000 ] - [ -0.0010676800000000, -0.0003137800000000, -0.0003535700000000 ] - [ 0.0050431000000000, 0.0007417200000000, -0.0016014400000000 ] - [ 0.0009574600000000, 0.0001952900000000, 0.0003628300000000 ] - [ 0.0022129100000000, -0.0023261600000000, -0.0001948700000000 ] - [ 0.0003209000000000, -0.0003965600000000, 0.0001249400000000 ] - [ -0.0059159700000000, 0.0039154700000000, 0.0032232200000000 ] - [ -0.0004992600000000, 0.0003536600000000, -0.0002827200000000 ] - [ 0.0035153900000000, 0.0000635800000000, 0.0000235600000000 ] - [ 0.0006184600000000, -0.0001055900000000, -0.0001267700000000 ] - [ -0.0071218800000000, 0.0083555800000000, -0.0022696100000000 ] - [ -0.0006433900000000, 0.0000075500000000, 0.0001261700000000 ] - [ 0.4398983500000000, -0.0219506300000000, -0.0703247400000000 ] - [ -0.0002808900000000, -0.0000957600000000, 0.0000159200000000 ] - [ -0.0033421500000000, 0.0006111000000000, 0.0005909300000000 ] - [ 0.0000280700000000, -0.0005013200000000, 0.0000971400000000 ] - [ -0.0129477700000000, -0.0015486600000000, -0.0006204600000000 ] - [ -0.0007328900000000, 0.0001765000000000, 0.0000692600000000 ] - [ -0.0438155400000000, -0.0313768400000000, 0.0031318900000000 ] - [ 0.0004762600000000, 0.0003543800000000, 0.0001242600000000 ] - [ 0.0025179300000000, -0.0013555700000000, -0.0001138300000000 ] - [ 0.0001574300000000, 0.0000028600000000, 0.0000711400000000 ] - [ -0.0008067200000000, 0.0138452900000000, -0.0010184200000000 ] - [ 0.0000161900000000, 0.0000358500000000, 0.0000942700000000 ] - [ -0.0030176900000000, 0.0083813300000000, -0.0002152000000000 ] - [ -0.0000976500000000, 0.0002197300000000, 0.0000374600000000 ] - [ -0.0017014100000000, -0.0037269300000000, -0.0001607200000000 ] - [ -0.0003798200000000, -0.0000868300000000, -0.0000075100000000 ] - [ -0.0313916300000000, 0.0014971300000000, -0.0021547800000000 ] - [ 0.0000736300000000, 0.0002816300000000, 0.0000801200000000 ] - [ -0.0549383800000000, 0.0372362900000000, 0.0072437900000000 ] - [ 0.0002817300000000, -0.0003171600000000, 0.0000270700000000 ] - [ 0.0029313400000000, 0.0012184500000000, 0.0007770000000000 ] - [ 0.0001787900000000, 0.0004645900000000, -0.0000091600000000 ] - [ -0.0035932100000000, -0.0049725900000000, 0.0003249900000000 ] - [ 0.0002825500000000, -0.0004026800000000, 0.0000973800000000 ] - [ -0.0021288600000000, -0.0001158500000000, 0.0002590600000000 ] - [ -0.0010128800000000, -0.0001754300000000, -0.0002519800000000 ] - [ 0.0061639900000000, -0.0007652500000000, 0.0025705800000000 ] - [ 0.0011531500000000, -0.0004247900000000, 0.0000242700000000 ] - [ 0.0029272500000000, -0.0029647800000000, -0.0022651600000000 ] - [ -0.0002367600000000, 0.0000329600000000, 0.0001420500000000 ] - [ -0.0016969300000000, -0.0008373000000000, -0.0015435600000000 ] - [ -0.0006387700000000, -0.0008241800000000, 0.0014616100000000 ] - [ -0.0035164700000000, 0.0001516500000000, -0.0010355400000000 ] - [ -0.0006526200000000, 0.0000233300000000, 0.0001664200000000 ] - [ -0.0020739700000000, -0.0010363700000000, 0.0030698800000000 ] - [ -0.0005031200000000, -0.0001263400000000, -0.0007398800000000 ] - [ -0.0019373500000000, -0.0017322400000000, 0.0033408900000000 ] - [ -0.0002558300000000, -0.0000691300000000, -0.0003942800000000 ] - [ 0.0001023200000000, 0.0015306100000000, -0.0051494600000000 ] - [ -0.0000549000000000, 0.0005430100000000, 0.0010062200000000 ] - [ 0.0017487900000000, 0.0038209800000000, 0.0031092600000000 ] - [ 0.0005026300000000, 0.0006955600000000, -0.0002786700000000 ] - [ 0.0000762300000000, -0.0020431100000000, 0.0000923600000000 ] - [ 0.0001862800000000, -0.0009572000000000, -0.0000732300000000 ] - [ 0.0033411300000000, 0.0006776400000000, 0.0014358300000000 ] - [ 0.0005746700000000, 0.0007036300000000, -0.0000389500000000 ] - [ 0.0004271100000000, 0.0011927600000000, -0.0005596600000000 ] - [ 0.0002673100000000, -0.0000837400000000, -0.0000118500000000 ] - [ -0.0021263700000000, -0.0009349200000000, -0.0007226000000000 ] - [ -0.0010144900000000, -0.0003121000000000, 0.0001054400000000 ] - [ -0.0011829900000000, -0.0001969100000000, 0.0004676000000000 ] - [ -0.0000743900000000, -0.0004245400000000, 0.0000864300000000 ] - [ 0.0047226200000000, 0.0018418700000000, 0.0017973400000000 ] - [ -0.0000206600000000, 0.0001101700000000, 0.0001036100000000 ] - [ 0.0002964000000000, 0.0018816500000000, -0.0001334800000000 ] - [ 0.0004467200000000, 0.0006509800000000, 0.0000715700000000 ] - [ 0.0055712600000000, 0.0003987700000000, -0.0022566800000000 ] - [ 0.0006089200000000, 0.0001776600000000, 0.0002878700000000 ] - [ 0.0001021100000000, -0.0032141000000000, 0.0004322900000000 ] - [ -0.0000682800000000, -0.0002750000000000, -0.0002053900000000 ] - [ -0.0053722800000000, -0.0054713400000000, 0.0157043400000000 ] - [ 0.0003402200000000, -0.0000835400000000, -0.0003360900000000 ] - [ -0.0030080300000000, 0.0011553600000000, -0.0032938400000000 ] - [ -0.0006655400000000, 0.0001806500000000, 0.0005232000000000 ] - [ 0.0007076600000000, -0.0016740200000000, -0.0011369000000000 ] - [ 0.0003190100000000, 0.0000286500000000, 0.0002446900000000 ] - [ -0.0020419000000000, 0.0024494500000000, 0.0018467200000000 ] - [ -0.0001916000000000, 0.0000258600000000, -0.0005120300000000 ] - [ -0.0028548700000000, 0.0007078800000000, -0.0007099500000000 ] - [ -0.0004012100000000, 0.0004696100000000, -0.0001195900000000 ] - [ 0.0011521500000000, -0.0019235800000000, -0.0043973200000000 ] - [ 0.0006468200000000, -0.0006560200000000, 0.0004967400000000 ] - [ 0.0045874300000000, -0.0059915300000000, 0.0050193800000000 ] - [ 0.0004025300000000, -0.0002634100000000, -0.0003121600000000 ] - [ -0.0029759000000000, 0.0125428600000000, -0.0073285000000000 ] - [ -0.0002404000000000, 0.0002590700000000, 0.0000875300000000 ] - [ -0.0344500100000000, 0.0114206800000000, 0.0168499700000000 ] - [ -0.0002863700000000, -0.0000941100000000, 0.0000960700000000 ] - [ -0.0016311100000000, -0.0016140200000000, 0.0027758100000000 ] - [ -0.0010358500000000, -0.0003776900000000, -0.0025004400000000 ] - [ 0.0043408900000000, -0.0012754400000000, -0.0030582000000000 ] - [ 0.0016895300000000, 0.0001006800000000, 0.0019468600000000 ] - [ 0.0116089600000000, -0.0058334900000000, -0.0088671400000000 ] - [ 0.0001037500000000, -0.0002718400000000, 0.0002503100000000 ] - [ 0.0008366800000000, 0.0046228900000000, -0.0006243800000000 ] - [ 0.0001447400000000, 0.0002351500000000, -0.0000790000000000 ] - [ -0.0027306100000000, -0.0118419100000000, 0.0083721400000000 ] - [ -0.0001246100000000, -0.0001631200000000, -0.0002195600000000 ] - [ 0.0003324400000000, 0.0015978700000000, 0.0001433100000000 ] - [ 0.0007132300000000, 0.0020813600000000, -0.0003033000000000 ] - [ -0.0002906100000000, -0.0012414300000000, 0.0000101600000000 ] - [ -0.0003605700000000, -0.0008172900000000, 0.0000911900000000 ] - [ 0.0145950600000000, 0.0004782200000000, 0.0061404200000000 ] - [ 0.0003859300000000, 0.0000967800000000, -0.0003605600000000 ] - [ -0.0148822800000000, 0.0011779800000000, 0.0004814600000000 ] - [ -0.0004836400000000, 0.0002949000000000, -0.0006406700000000 ]- atom: 25 displacement: [ -0.0050000000037756, 0.0086602540356645, 0.0000000000000000 ] forces: - [ -0.1310847100000000, 0.0442828700000000, 0.0182323000000000 ] - [ -0.0001369000000000, 0.0001673200000000, -0.0002488100000000 ] - [ 0.0047038300000000, 0.0081171600000000, 0.0005562500000000 ] - [ 0.0001131000000000, 0.0000521900000000, -0.0002550000000000 ] - [ -0.0013184900000000, -0.0046991900000000, -0.0000711100000000 ] - [ -0.0000067900000000, -0.0001196500000000, -0.0001417300000000 ] - [ -0.0042161700000000, -0.0115976200000000, 0.0002854800000000 ] - [ 0.0000686600000000, -0.0002300900000000, -0.0002179600000000 ] - [ -0.0006520600000000, -0.0009645800000000, 0.0002901200000000 ] - [ 0.0001504600000000, 0.0002347600000000, -0.0000362700000000 ] - [ 0.0010626200000000, -0.0033001800000000, -0.0002458600000000 ] - [ 0.0002686700000000, -0.0008138600000000, 0.0000579700000000 ] - [ -0.0042888200000000, 0.0044859000000000, 0.0074622300000000 ] - [ -0.0003086900000000, 0.0009402400000000, -0.0010613700000000 ] - [ 0.0019384900000000, 0.0015647200000000, 0.0000877100000000 ] - [ 0.0003331900000000, 0.0002873800000000, -0.0000632500000000 ] - [ 0.0016475000000000, -0.0021989000000000, -0.0002014300000000 ] - [ 0.0002987600000000, -0.0003981000000000, -0.0001085300000000 ] - [ -0.0084796800000000, 0.0015371900000000, -0.0006480300000000 ] - [ -0.0005104800000000, 0.0003578100000000, 0.0000814300000000 ] - [ 0.0028893200000000, -0.0000831100000000, 0.0003321000000000 ] - [ 0.0003340700000000, -0.0001458100000000, -0.0002876700000000 ] - [ -0.0067719300000000, 0.0041259700000000, 0.0014950300000000 ] - [ -0.0003900500000000, 0.0001968600000000, -0.0005057700000000 ] - [ 0.2350705900000000, -0.1199347200000000, -0.0682187600000000 ] - [ -0.0004346500000000, -0.0001926300000000, 0.0002108700000000 ] - [ -0.0020179000000000, 0.0022403800000000, 0.0000374000000000 ] - [ 0.0000050800000000, -0.0004665000000000, 0.0003159500000000 ] - [ -0.0081949300000000, -0.0021162600000000, -0.0007739300000000 ] - [ -0.0005898600000000, 0.0001954200000000, 0.0003331800000000 ] - [ 0.0093621100000000, -0.0107645200000000, -0.0022290600000000 ] - [ 0.0005129200000000, 0.0002206400000000, 0.0004028100000000 ] - [ 0.0027264100000000, 0.0017167100000000, -0.0002307300000000 ] - [ 0.0001635400000000, 0.0001405700000000, 0.0003222100000000 ] - [ -0.0078720900000000, 0.0197829500000000, -0.0025219200000000 ] - [ -0.0000641600000000, -0.0000345900000000, 0.0002599600000000 ] - [ -0.0034744500000000, 0.0097752300000000, -0.0005914700000000 ] - [ -0.0001849800000000, 0.0002663800000000, 0.0002045900000000 ] - [ 0.0009449400000000, 0.0007024200000000, -0.0003665600000000 ] - [ -0.0003008200000000, 0.0000451300000000, 0.0002263100000000 ] - [ -0.0177560800000000, -0.0032156900000000, -0.0016754400000000 ] - [ 0.0001185800000000, 0.0002143700000000, 0.0002891900000000 ] - [ -0.0610321900000000, 0.0227971500000000, 0.0062655600000000 ] - [ 0.0002207400000000, -0.0004261200000000, 0.0002286200000000 ] - [ 0.0012586900000000, 0.0067860500000000, -0.0007025400000000 ] - [ 0.0002033600000000, 0.0005613900000000, 0.0001643700000000 ] - [ 0.0020345100000000, -0.0026178400000000, -0.0012637200000000 ] - [ 0.0003536200000000, -0.0004374800000000, 0.0002628900000000 ] - [ -0.0006183700000000, 0.0005674000000000, -0.0000647300000000 ] - [ -0.0005971400000000, 0.0002128700000000, 0.0001426800000000 ] - [ 0.0026746900000000, -0.0059565200000000, 0.0043840300000000 ] - [ 0.0006747000000000, -0.0013567400000000, 0.0000708200000000 ] - [ -0.0014555800000000, 0.0019307200000000, 0.0011820800000000 ] - [ -0.0004480300000000, 0.0004299400000000, -0.0000576200000000 ] - [ 0.0026767500000000, -0.0009994300000000, 0.0011791400000000 ] - [ 0.0000988800000000, -0.0000971100000000, 0.0006813700000000 ] - [ -0.0016431200000000, -0.0004025700000000, -0.0007652700000000 ] - [ -0.0002603000000000, -0.0000558400000000, 0.0002876200000000 ] - [ -0.0016237600000000, -0.0019768600000000, 0.0016731300000000 ] - [ -0.0002691000000000, -0.0004705100000000, -0.0000833800000000 ] - [ -0.0001195200000000, -0.0001350400000000, 0.0001819200000000 ] - [ -0.0000052500000000, 0.0000319300000000, 0.0001763900000000 ] - [ -0.0007805100000000, -0.0006893300000000, -0.0042250900000000 ] - [ -0.0004714500000000, -0.0000845400000000, 0.0007625300000000 ] - [ 0.0000552800000000, 0.0026749000000000, 0.0023934000000000 ] - [ 0.0001021600000000, 0.0007289200000000, -0.0004599000000000 ] - [ 0.0008660300000000, 0.0003595800000000, -0.0000426000000000 ] - [ 0.0003491600000000, -0.0002964500000000, 0.0001871900000000 ] - [ 0.0014445500000000, 0.0008442900000000, -0.0024863700000000 ] - [ 0.0005226600000000, 0.0004093600000000, 0.0011983500000000 ] - [ -0.0011443000000000, 0.0021978500000000, -0.0013714500000000 ] - [ -0.0001171900000000, -0.0000264000000000, 0.0002922800000000 ] - [ -0.0013129400000000, 0.0001642900000000, -0.0003395100000000 ] - [ -0.0007124500000000, 0.0001468300000000, 0.0002938800000000 ] - [ -0.0005108700000000, 0.0006475000000000, 0.0000508100000000 ] - [ 0.0000954500000000, -0.0002787400000000, 0.0002852700000000 ] - [ 0.0035154000000000, 0.0074816900000000, 0.0106271000000000 ] - [ -0.0002817600000000, -0.0000139600000000, -0.0001159000000000 ] - [ -0.0004797700000000, 0.0024059700000000, -0.0002889100000000 ] - [ 0.0002628300000000, 0.0006614000000000, 0.0002057200000000 ] - [ 0.0020743900000000, 0.0014528000000000, -0.0061250200000000 ] - [ 0.0003413200000000, 0.0000880400000000, 0.0006009400000000 ] - [ 0.0009010300000000, -0.0006675800000000, -0.0003273300000000 ] - [ 0.0001371500000000, -0.0001334400000000, 0.0004427600000000 ] - [ -0.0008079300000000, -0.0054413000000000, 0.0056758100000000 ] - [ 0.0001579300000000, -0.0003518000000000, 0.0001790500000000 ] - [ -0.0030144000000000, 0.0006300100000000, -0.0026530400000000 ] - [ -0.0006831700000000, 0.0000669400000000, 0.0005504200000000 ] - [ 0.0024373100000000, 0.0012447300000000, -0.0002114000000000 ] - [ 0.0004047200000000, 0.0004082000000000, 0.0001488500000000 ] - [ -0.0019990400000000, 0.0009335500000000, 0.0016588800000000 ] - [ -0.0001118600000000, -0.0001381200000000, -0.0002788800000000 ] - [ -0.0013321900000000, -0.0002511100000000, -0.0003337000000000 ] - [ 0.0000842600000000, 0.0003004300000000, 0.0002810800000000 ] - [ 0.0022342200000000, -0.0029640300000000, -0.0010647500000000 ] - [ 0.0004128800000000, -0.0008375200000000, 0.0004510100000000 ] - [ 0.0057668900000000, -0.0020006500000000, 0.0055969900000000 ] - [ 0.0003458400000000, -0.0001620600000000, -0.0007173700000000 ] - [ -0.0031499300000000, 0.0006363500000000, 0.0004073500000000 ] - [ -0.0004583300000000, -0.0000620800000000, -0.0007133500000000 ] - [ -0.0253453100000000, 0.0286932200000000, 0.0200865200000000 ] - [ -0.0000865500000000, 0.0002679800000000, -0.0003929500000000 ] - [ 0.0002739900000000, 0.0016492300000000, 0.0021048500000000 ] - [ 0.0003778200000000, 0.0003132300000000, -0.0023597100000000 ] - [ 0.0017473000000000, 0.0003343100000000, -0.0015742400000000 ] - [ 0.0009886200000000, 0.0018501900000000, 0.0004884800000000 ] - [ 0.0089566500000000, -0.0045794900000000, -0.0069825600000000 ] - [ 0.0002183400000000, -0.0000733800000000, -0.0002508900000000 ] - [ -0.0013629900000000, -0.0010335900000000, 0.0005351200000000 ] - [ -0.0001210400000000, -0.0001554200000000, -0.0006099400000000 ] - [ 0.0022152900000000, -0.0107351700000000, 0.0076120400000000 ] - [ 0.0001132200000000, -0.0001957900000000, -0.0007165200000000 ] - [ -0.0006446000000000, -0.0005070300000000, -0.0002952300000000 ] - [ -0.0006621900000000, -0.0006508200000000, -0.0009977600000000 ] - [ 0.0009479000000000, -0.0032015100000000, -0.0018843000000000 ] - [ 0.0003656500000000, -0.0016456000000000, 0.0005952900000000 ] - [ 0.0043209900000000, 0.0028379400000000, 0.0020235200000000 ] - [ 0.0001254600000000, 0.0001425400000000, -0.0006866500000000 ] - [ -0.0030385000000000, 0.0175221500000000, 0.0086116700000000 ] - [ -0.0003151400000000, 0.0003225100000000, -0.0005676100000000 ]- atom: 25 displacement: [ 0.0050000000037756, -0.0086602540356645, 0.0000000000000000 ] forces: - [ 0.1278905900000000, -0.0455549300000000, -0.0178285300000000 ] - [ 0.0001145900000000, -0.0001343700000000, 0.0002513600000000 ] - [ -0.0047450900000000, -0.0082225800000000, -0.0005526200000000 ] - [ -0.0001392800000000, -0.0000996200000000, 0.0002560900000000 ] - [ 0.0013322000000000, 0.0046910100000000, 0.0000694800000000 ] - [ 0.0000473200000000, 0.0001176200000000, 0.0001414200000000 ] - [ 0.0042920000000000, 0.0116804000000000, -0.0002845100000000 ] - [ -0.0000626200000000, 0.0002392500000000, 0.0002188400000000 ] - [ 0.0006235500000000, 0.0009894000000000, -0.0002898700000000 ] - [ -0.0001760900000000, -0.0001989200000000, 0.0000390100000000 ] - [ -0.0011114700000000, 0.0032629200000000, 0.0002389700000000 ] - [ -0.0003016500000000, 0.0007717100000000, -0.0000547200000000 ] - [ 0.0043890900000000, -0.0045418200000000, -0.0075000900000000 ] - [ 0.0003467600000000, -0.0009450400000000, 0.0010644600000000 ] - [ -0.0019612700000000, -0.0015423600000000, -0.0000802100000000 ] - [ -0.0003360100000000, -0.0002754900000000, 0.0000620300000000 ] - [ -0.0016816600000000, 0.0022370000000000, 0.0002063800000000 ] - [ -0.0003195400000000, 0.0004310500000000, 0.0001068600000000 ] - [ 0.0085010600000000, -0.0016125100000000, 0.0006309300000000 ] - [ 0.0004908400000000, -0.0004125000000000, -0.0000793500000000 ] - [ -0.0028373600000000, 0.0000795400000000, -0.0003282000000000 ] - [ -0.0002913200000000, 0.0001376900000000, 0.0002850400000000 ] - [ 0.0067980100000000, -0.0040972700000000, -0.0015267100000000 ] - [ 0.0004083900000000, -0.0001875600000000, 0.0005094000000000 ] - [ -0.2348789100000000, 0.1219606100000000, 0.0695340300000000 ] - [ -0.0005619700000000, -0.0000885500000000, -0.0003547800000000 ] - [ 0.0022972500000000, -0.0032459300000000, 0.0001033200000000 ] - [ 0.0002498500000000, -0.0005408200000000, -0.0001748700000000 ] - [ 0.0071960500000000, 0.0024002800000000, 0.0009195200000000 ] - [ -0.0004052000000000, 0.0000868600000000, -0.0001915900000000 ] - [ -0.0082520400000000, 0.0116418800000000, 0.0023801500000000 ] - [ 0.0002320800000000, 0.0005041200000000, -0.0002621100000000 ] - [ -0.0024936400000000, -0.0017180200000000, 0.0002331200000000 ] - [ 0.0001130900000000, -0.0001434500000000, -0.0003223900000000 ] - [ 0.0079120100000000, -0.0203962100000000, 0.0025585000000000 ] - [ -0.0000843300000000, -0.0002194300000000, -0.0002604200000000 ] - [ 0.0033322300000000, -0.0095656700000000, 0.0005936800000000 ] - [ 0.0000443500000000, -0.0000311400000000, -0.0002040300000000 ] - [ -0.0016818400000000, -0.0006800100000000, 0.0003681900000000 ] - [ -0.0004462800000000, -0.0000429800000000, -0.0002275100000000 ] - [ 0.0183971400000000, 0.0038914300000000, 0.0016972100000000 ] - [ 0.0002613600000000, 0.0004447000000000, -0.0002901500000000 ] - [ 0.0602172600000000, -0.0231402300000000, -0.0061961000000000 ] - [ 0.0001552700000000, -0.0002198800000000, -0.0002307700000000 ] - [ -0.0009923400000000, -0.0057509800000000, 0.0005678900000000 ] - [ 0.0000515500000000, 0.0004477800000000, -0.0003085500000000 ] - [ -0.0013133300000000, 0.0019140400000000, 0.0011159800000000 ] - [ 0.0003900800000000, -0.0002830500000000, -0.0004054800000000 ] - [ -0.0003797900000000, -0.0008115100000000, -0.0000724900000000 ] - [ -0.0004012800000000, -0.0004611300000000, -0.0002896400000000 ] - [ -0.0023748600000000, 0.0049532900000000, -0.0043436200000000 ] - [ -0.0003894900000000, 0.0003700900000000, 0.0000746200000000 ] - [ 0.0004880900000000, -0.0017019400000000, -0.0010494500000000 ] - [ -0.0005441300000000, -0.0001851000000000, 0.0002015300000000 ] - [ -0.0019505400000000, 0.0017335800000000, -0.0010222500000000 ] - [ 0.0006105500000000, 0.0008372400000000, -0.0005363100000000 ] - [ 0.0019981000000000, 0.0003801200000000, 0.0007715800000000 ] - [ 0.0006036100000000, 0.0000359400000000, -0.0002900600000000 ] - [ 0.0014398800000000, 0.0016647400000000, -0.0016696000000000 ] - [ 0.0000783700000000, 0.0001690900000000, 0.0000840700000000 ] - [ -0.0000246200000000, 0.0004343600000000, -0.0002006300000000 ] - [ -0.0001494200000000, 0.0002640900000000, -0.0001757900000000 ] - [ -0.0000281200000000, 0.0006853000000000, 0.0042714200000000 ] - [ -0.0003415700000000, 0.0000795700000000, -0.0007643500000000 ] - [ 0.0003628600000000, -0.0019596800000000, -0.0023832500000000 ] - [ 0.0003056200000000, -0.0000086400000000, 0.0004584300000000 ] - [ -0.0004528700000000, -0.0010525600000000, 0.0000429900000000 ] - [ 0.0000680800000000, -0.0004038500000000, -0.0001881600000000 ] - [ -0.0011811200000000, 0.0001490800000000, 0.0023606100000000 ] - [ -0.0002376100000000, 0.0005871100000000, -0.0013481900000000 ] - [ 0.0018717300000000, -0.0029519000000000, 0.0012446700000000 ] - [ 0.0008367600000000, -0.0007164300000000, -0.0004394700000000 ] - [ 0.0003282700000000, -0.0004048900000000, 0.0001966800000000 ] - [ -0.0002809500000000, -0.0003909600000000, -0.0004399100000000 ] - [ 0.0007911500000000, -0.0016384100000000, 0.0000890600000000 ] - [ 0.0001885100000000, -0.0007098500000000, -0.0001404700000000 ] - [ -0.0045659900000000, -0.0072719800000000, -0.0105835500000000 ] - [ -0.0007225200000000, 0.0002667400000000, 0.0002595300000000 ] - [ 0.0012019500000000, -0.0016661600000000, 0.0004230100000000 ] - [ 0.0004551900000000, 0.0000818300000000, -0.0000591000000000 ] - [ -0.0017420900000000, -0.0014360600000000, 0.0060975000000000 ] - [ -0.0000039500000000, -0.0000809400000000, -0.0006079900000000 ] - [ -0.0010696400000000, 0.0003483400000000, 0.0003297100000000 ] - [ -0.0003047100000000, -0.0001830400000000, -0.0004409900000000 ] - [ 0.0005630000000000, 0.0057647700000000, -0.0056484200000000 ] - [ -0.0003514600000000, 0.0006356200000000, -0.0001775500000000 ] - [ 0.0021983800000000, -0.0006217800000000, 0.0026380900000000 ] - [ -0.0001301100000000, -0.0000564600000000, -0.0005509700000000 ] - [ -0.0020236500000000, -0.0005267600000000, 0.0002164500000000 ] - [ 0.0000171600000000, 0.0003069500000000, -0.0001489600000000 ] - [ 0.0024111400000000, -0.0016420200000000, -0.0016788400000000 ] - [ 0.0005122800000000, -0.0005702100000000, 0.0002812800000000 ] - [ 0.0016197700000000, 0.0012338300000000, 0.0001894800000000 ] - [ 0.0002051200000000, 0.0006894000000000, -0.0004221400000000 ] - [ -0.0015206600000000, 0.0022358800000000, 0.0009455000000000 ] - [ 0.0003029900000000, 0.0001038900000000, -0.0006019100000000 ] - [ -0.0057654600000000, 0.0019304100000000, -0.0056462500000000 ] - [ -0.0003012200000000, 0.0000883900000000, 0.0007171900000000 ] - [ 0.0032250200000000, -0.0006441500000000, -0.0003763200000000 ] - [ 0.0005020400000000, 0.0001355600000000, 0.0007119900000000 ] - [ 0.0274244700000000, -0.0299997000000000, -0.0221320700000000 ] - [ 0.0000039000000000, -0.0002676300000000, 0.0003976000000000 ] - [ -0.0002416300000000, -0.0017084100000000, -0.0021152400000000 ] - [ -0.0003677600000000, -0.0003670100000000, 0.0023710500000000 ] - [ -0.0016966800000000, -0.0002774800000000, 0.0015757000000000 ] - [ -0.0009481000000000, -0.0017797000000000, -0.0005000900000000 ] - [ -0.0090455300000000, 0.0045885900000000, 0.0069448300000000 ] - [ -0.0003037600000000, 0.0000731400000000, 0.0002497500000000 ] - [ 0.0014196600000000, 0.0009562600000000, -0.0005266300000000 ] - [ 0.0001635900000000, 0.0000800000000000, 0.0006143500000000 ] - [ -0.0022029000000000, 0.0108181000000000, -0.0075847700000000 ] - [ -0.0000733000000000, 0.0002715800000000, 0.0007219000000000 ] - [ 0.0005605400000000, 0.0005081600000000, 0.0002942500000000 ] - [ 0.0005846100000000, 0.0006454400000000, 0.0010017300000000 ] - [ -0.0009435900000000, 0.0032073900000000, 0.0018977500000000 ] - [ -0.0003614700000000, 0.0016454500000000, -0.0006060500000000 ] - [ -0.0043878200000000, -0.0028034700000000, -0.0020443300000000 ] - [ -0.0001287500000000, -0.0001422100000000, 0.0006898300000000 ] - [ 0.0032699900000000, -0.0172341500000000, -0.0083242900000000 ] - [ 0.0003159900000000, -0.0003211800000000, 0.0005677000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0355680300000000, 0.0031349600000000, 0.0491636000000000 ] - [ -0.0001278200000000, 0.0000130300000000, -0.0012085600000000 ] - [ 0.0001817400000000, 0.0009264600000000, 0.0014076800000000 ] - [ 0.0000576600000000, -0.0001208700000000, -0.0009819600000000 ] - [ -0.0000424400000000, -0.0011302800000000, 0.0011707000000000 ] - [ -0.0000236300000000, 0.0000158900000000, -0.0008750400000000 ] - [ -0.0002163600000000, -0.0013617400000000, 0.0015617600000000 ] - [ 0.0000476100000000, -0.0000146900000000, -0.0008847700000000 ] - [ -0.0016046900000000, -0.0010901600000000, 0.0005501400000000 ] - [ 0.0005714500000000, 0.0006834600000000, -0.0005052000000000 ] - [ 0.0017137400000000, -0.0010348500000000, 0.0006700900000000 ] - [ -0.0000833400000000, 0.0002701600000000, -0.0007441600000000 ] - [ -0.0028837400000000, 0.0097083800000000, -0.0054178700000000 ] - [ -0.0000106500000000, -0.0001845200000000, -0.0019251600000000 ] - [ 0.0000874300000000, 0.0005334800000000, 0.0003437700000000 ] - [ -0.0002169500000000, -0.0000025100000000, -0.0006679000000000 ] - [ 0.0010948100000000, -0.0011471400000000, 0.0004860100000000 ] - [ -0.0003541000000000, 0.0002780100000000, -0.0006021000000000 ] - [ -0.0067435800000000, -0.0023501000000000, -0.0006741200000000 ] - [ 0.0004552800000000, 0.0007096800000000, -0.0012049900000000 ] - [ 0.0002104900000000, 0.0000756100000000, 0.0005954100000000 ] - [ 0.0001652400000000, -0.0000013000000000, -0.0005907700000000 ] - [ 0.0001191500000000, 0.0091575700000000, -0.0011163200000000 ] - [ -0.0008412000000000, -0.0009801000000000, -0.0014432300000000 ] - [ 0.0673837800000000, -0.0393800400000000, -0.1072124000000000 ] - [ -0.0005880500000000, 0.0001338800000000, 0.0015093700000000 ] - [ 0.0001588700000000, 0.0001139200000000, -0.0011872400000000 ] - [ -0.0001184700000000, -0.0006163100000000, 0.0011859600000000 ] - [ -0.0011809300000000, -0.0004370700000000, -0.0010119900000000 ] - [ -0.0004999800000000, 0.0004462700000000, 0.0011941800000000 ] - [ -0.0048410800000000, 0.0000085900000000, -0.0128618000000000 ] - [ 0.0006520100000000, 0.0001393000000000, 0.0013999000000000 ] - [ 0.0004481700000000, 0.0000385900000000, -0.0020965000000000 ] - [ 0.0001465600000000, 0.0001767100000000, 0.0011792100000000 ] - [ -0.0006909400000000, 0.0009663000000000, -0.0044963400000000 ] - [ 0.0000632700000000, -0.0001760500000000, 0.0012577700000000 ] - [ -0.0003945000000000, 0.0012903300000000, -0.0010893400000000 ] - [ -0.0002278300000000, 0.0000635900000000, 0.0010481000000000 ] - [ -0.0000540000000000, 0.0001482600000000, -0.0017854600000000 ] - [ -0.0003226700000000, 0.0000421500000000, 0.0010983000000000 ] - [ 0.0002318800000000, -0.0003207100000000, -0.0051339900000000 ] - [ 0.0002087700000000, 0.0002969400000000, 0.0012608300000000 ] - [ -0.0067700800000000, 0.0014474200000000, -0.0151816000000000 ] - [ 0.0001063100000000, -0.0003622800000000, 0.0012029100000000 ] - [ -0.0010728000000000, 0.0016334200000000, -0.0037078000000000 ] - [ 0.0004614600000000, 0.0005105500000000, 0.0012976100000000 ] - [ 0.0018669200000000, -0.0004887500000000, -0.0037062900000000 ] - [ 0.0002010300000000, -0.0005336100000000, 0.0012968500000000 ] - [ 0.0001511500000000, -0.0000637100000000, -0.0007121100000000 ] - [ -0.0006727700000000, 0.0001989000000000, 0.0007306100000000 ] - [ -0.0042749600000000, -0.0000013900000000, 0.0192530500000000 ] - [ 0.0001434500000000, -0.0005510200000000, 0.0020347100000000 ] - [ -0.0028471700000000, 0.0027684300000000, 0.0017874300000000 ] - [ -0.0004290200000000, -0.0000642600000000, 0.0011629700000000 ] - [ 0.0030764100000000, 0.0006676800000000, 0.0009514100000000 ] - [ -0.0004203900000000, -0.0007787100000000, 0.0022076400000000 ] - [ 0.0009215000000000, -0.0002786800000000, -0.0005683000000000 ] - [ -0.0001066300000000, 0.0001496600000000, 0.0007311800000000 ] - [ -0.0012627400000000, -0.0003665800000000, -0.0006752300000000 ] - [ 0.0002611200000000, -0.0003527600000000, 0.0009692500000000 ] - [ -0.0000922400000000, 0.0003748400000000, -0.0007767800000000 ] - [ 0.0000459300000000, 0.0001336400000000, 0.0008921100000000 ] - [ 0.0042318100000000, -0.0025345200000000, 0.0023617500000000 ] - [ -0.0008758400000000, 0.0005181500000000, 0.0017311700000000 ] - [ -0.0013298800000000, 0.0012511300000000, -0.0003870900000000 ] - [ 0.0006128000000000, 0.0002076000000000, 0.0011118300000000 ] - [ 0.0005515300000000, 0.0001806500000000, -0.0002718900000000 ] - [ 0.0002064200000000, -0.0005555900000000, 0.0009382100000000 ] - [ -0.0008739000000000, -0.0039218500000000, 0.0006749300000000 ] - [ 0.0006688700000000, 0.0008528800000000, 0.0017965400000000 ] - [ -0.0000069700000000, 0.0001423700000000, -0.0010111100000000 ] - [ -0.0000399800000000, -0.0005464500000000, 0.0007980900000000 ] - [ -0.0008222200000000, -0.0003014300000000, -0.0006999800000000 ] - [ -0.0003193900000000, 0.0002303500000000, 0.0007268700000000 ] - [ 0.0001625000000000, -0.0000276100000000, -0.0008226900000000 ] - [ -0.0000703700000000, -0.0006026900000000, 0.0009512300000000 ] - [ 0.0011651700000000, 0.0113286800000000, 0.0100295000000000 ] - [ -0.0004682400000000, -0.0001132200000000, 0.0016125800000000 ] - [ 0.0002062200000000, 0.0006941600000000, -0.0008864900000000 ] - [ 0.0004925700000000, 0.0002970900000000, 0.0009868200000000 ] - [ 0.0035057100000000, -0.0052288600000000, 0.0040728400000000 ] - [ -0.0000720300000000, 0.0012366000000000, 0.0023533500000000 ] - [ -0.0013647200000000, -0.0034389600000000, -0.0009377700000000 ] - [ 0.0004305200000000, 0.0003019400000000, 0.0009574500000000 ] - [ -0.0108673200000000, -0.0048815300000000, 0.0145425600000000 ] - [ 0.0003343600000000, 0.0002379200000000, 0.0017448100000000 ] - [ 0.0003588100000000, -0.0002077900000000, -0.0012554000000000 ] - [ -0.0008025300000000, 0.0001068500000000, 0.0008272300000000 ] - [ 0.0023535700000000, 0.0022282700000000, -0.0007699000000000 ] - [ 0.0000043100000000, -0.0000005800000000, 0.0008072300000000 ] - [ -0.0020914400000000, 0.0014175900000000, -0.0001768100000000 ] - [ 0.0006948700000000, -0.0007571200000000, 0.0012890300000000 ] - [ -0.0011570000000000, 0.0006850200000000, -0.0009968100000000 ] - [ 0.0005103500000000, 0.0003547300000000, 0.0007953000000000 ] - [ 0.0042712900000000, 0.0001519400000000, 0.0006691100000000 ] - [ -0.0008935400000000, -0.0011246000000000, 0.0018005000000000 ] - [ -0.0014990800000000, 0.0010975000000000, 0.0045693500000000 ] - [ 0.0005474000000000, -0.0002283200000000, -0.0025315300000000 ] - [ 0.0016858400000000, 0.0007098200000000, 0.0035598900000000 ] - [ -0.0004840900000000, -0.0000159200000000, -0.0025947100000000 ] - [ -0.0117697400000000, 0.0122680000000000, 0.0307276900000000 ] - [ -0.0002449700000000, 0.0002314100000000, -0.0030873600000000 ] - [ -0.0028140200000000, 0.0004982600000000, -0.0031222900000000 ] - [ 0.0059597700000000, -0.0020483700000000, -0.0036485600000000 ] - [ 0.0045386700000000, -0.0017857900000000, -0.0033243600000000 ] - [ -0.0024495900000000, -0.0002132200000000, -0.0023081000000000 ] - [ 0.0009374300000000, -0.0003555400000000, 0.0018877400000000 ] - [ -0.0000684200000000, -0.0001413400000000, -0.0022868600000000 ] - [ 0.0005303500000000, -0.0006943600000000, 0.0043439400000000 ] - [ -0.0002021300000000, 0.0000348300000000, -0.0024355900000000 ] - [ -0.0023314200000000, 0.0008379300000000, 0.0059820500000000 ] - [ 0.0005210800000000, -0.0002550900000000, -0.0026591700000000 ] - [ -0.0008052300000000, 0.0007072300000000, -0.0013897400000000 ] - [ -0.0004489600000000, -0.0010391700000000, -0.0012916300000000 ] - [ 0.0010846600000000, -0.0028911300000000, -0.0021603900000000 ] - [ -0.0003982500000000, 0.0014751200000000, -0.0016653100000000 ] - [ -0.0010584500000000, 0.0001457900000000, 0.0045829700000000 ] - [ 0.0002577200000000, 0.0000009900000000, -0.0026707200000000 ] - [ 0.0042487200000000, 0.0099698600000000, 0.0192720300000000 ] - [ -0.0000929400000000, 0.0004445100000000, -0.0036675200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0369621600000000, -0.0030710400000000, -0.0496247600000000 ] - [ 0.0001064400000000, 0.0000234300000000, 0.0012081500000000 ] - [ -0.0002306100000000, -0.0009334400000000, -0.0014106300000000 ] - [ -0.0000874700000000, 0.0000716300000000, 0.0009825800000000 ] - [ 0.0000901700000000, 0.0011179500000000, -0.0011692600000000 ] - [ 0.0000674000000000, -0.0000193400000000, 0.0008734500000000 ] - [ 0.0001919100000000, 0.0013573800000000, -0.0015606600000000 ] - [ -0.0000428300000000, 0.0000258300000000, 0.0008838400000000 ] - [ 0.0015551700000000, 0.0011210300000000, -0.0005429300000000 ] - [ -0.0006067700000000, -0.0006519800000000, 0.0005034300000000 ] - [ -0.0017266100000000, 0.0009891500000000, -0.0006603900000000 ] - [ 0.0000530700000000, -0.0003181400000000, 0.0007431200000000 ] - [ 0.0029073000000000, -0.0096283100000000, 0.0053472400000000 ] - [ 0.0000533400000000, 0.0001884100000000, 0.0019288400000000 ] - [ -0.0001016100000000, -0.0005236600000000, -0.0003283700000000 ] - [ 0.0002171800000000, 0.0000134500000000, 0.0006647300000000 ] - [ -0.0011185900000000, 0.0011862500000000, -0.0004928000000000 ] - [ 0.0003307500000000, -0.0002392700000000, 0.0006041300000000 ] - [ 0.0067578300000000, 0.0023001200000000, 0.0006522500000000 ] - [ -0.0004744600000000, -0.0007548200000000, 0.0012024400000000 ] - [ -0.0001726500000000, -0.0000801100000000, -0.0006045100000000 ] - [ -0.0001184800000000, -0.0000056800000000, 0.0005919900000000 ] - [ -0.0000887300000000, -0.0091872800000000, 0.0010978500000000 ] - [ 0.0008441700000000, 0.0009773600000000, 0.0014371100000000 ] - [ -0.0717505200000000, 0.0393198000000000, 0.1081696300000000 ] - [ -0.0003975500000000, -0.0004150000000000, -0.0016511600000000 ] - [ 0.0000878300000000, -0.0011031100000000, 0.0013288900000000 ] - [ 0.0003666800000000, -0.0003806900000000, -0.0010402000000000 ] - [ 0.0002279000000000, 0.0007114700000000, 0.0011543600000000 ] - [ -0.0004833500000000, -0.0001626200000000, -0.0010486900000000 ] - [ 0.0057956800000000, 0.0008217900000000, 0.0129269100000000 ] - [ 0.0000857400000000, 0.0005732200000000, -0.0012535900000000 ] - [ -0.0001804000000000, -0.0000294700000000, 0.0020955200000000 ] - [ 0.0001137600000000, -0.0001800500000000, -0.0011774100000000 ] - [ 0.0005155400000000, -0.0011411000000000, 0.0044867300000000 ] - [ -0.0002023500000000, -0.0000640900000000, -0.0012555000000000 ] - [ 0.0002763800000000, -0.0010858500000000, 0.0010901500000000 ] - [ 0.0000953300000000, 0.0001561900000000, -0.0010457300000000 ] - [ -0.0006783600000000, -0.0001249100000000, 0.0017823500000000 ] - [ -0.0004124900000000, -0.0000395300000000, -0.0010973000000000 ] - [ 0.0000943200000000, 0.0009587600000000, 0.0051314200000000 ] - [ 0.0001672000000000, 0.0003510900000000, -0.0012591100000000 ] - [ 0.0074135000000000, -0.0022168000000000, 0.0149856800000000 ] - [ 0.0002614200000000, -0.0002726100000000, -0.0012015500000000 ] - [ 0.0013011100000000, -0.0006472300000000, 0.0035496800000000 ] - [ -0.0002125100000000, 0.0004908500000000, -0.0014394600000000 ] - [ -0.0011043500000000, -0.0002342700000000, 0.0035512000000000 ] - [ 0.0005384100000000, -0.0001759400000000, -0.0014403800000000 ] - [ -0.0011235300000000, -0.0001875800000000, 0.0005523400000000 ] - [ -0.0003106200000000, -0.0004447100000000, -0.0008726400000000 ] - [ 0.0044485400000000, -0.0009153400000000, -0.0186883000000000 ] - [ 0.0001348200000000, -0.0004283100000000, -0.0018899900000000 ] - [ 0.0018468500000000, -0.0025110600000000, -0.0016334300000000 ] - [ -0.0005544500000000, 0.0003135500000000, -0.0010145600000000 ] - [ -0.0023549000000000, 0.0000671500000000, -0.0008058600000000 ] - [ 0.0011336100000000, 0.0015189300000000, -0.0020703300000000 ] - [ -0.0005834400000000, 0.0002564300000000, 0.0005573800000000 ] - [ 0.0004338800000000, -0.0001700000000000, -0.0007277500000000 ] - [ 0.0010752500000000, 0.0000858200000000, 0.0006443500000000 ] - [ -0.0004451900000000, 0.0000684700000000, -0.0009655100000000 ] - [ -0.0000505000000000, -0.0000813300000000, 0.0007519800000000 ] - [ -0.0001949800000000, 0.0001479000000000, -0.0008885400000000 ] - [ -0.0049631500000000, 0.0024898700000000, -0.0023123600000000 ] - [ 0.0000757800000000, -0.0005299700000000, -0.0017345200000000 ] - [ 0.0017134100000000, -0.0005448200000000, 0.0003605800000000 ] - [ -0.0002145200000000, 0.0005046600000000, -0.0011098500000000 ] - [ -0.0001342600000000, -0.0008618200000000, 0.0002660200000000 ] - [ 0.0002062400000000, -0.0001324600000000, -0.0009361800000000 ] - [ 0.0011305100000000, 0.0048507200000000, -0.0008085400000000 ] - [ -0.0003891600000000, 0.0001292600000000, -0.0019424800000000 ] - [ 0.0007190400000000, -0.0008742000000000, 0.0008513500000000 ] - [ 0.0007531700000000, -0.0001866400000000, -0.0009397700000000 ] - [ -0.0001603700000000, 0.0000653300000000, 0.0005646200000000 ] - [ -0.0006611600000000, -0.0004728700000000, -0.0008766100000000 ] - [ 0.0001191800000000, -0.0009564400000000, 0.0009750500000000 ] - [ 0.0003490200000000, -0.0003770100000000, -0.0008073200000000 ] - [ -0.0021673300000000, -0.0112342900000000, -0.0099917600000000 ] - [ -0.0005222400000000, 0.0003582200000000, -0.0014626100000000 ] - [ 0.0005039800000000, 0.0000382900000000, 0.0010423100000000 ] - [ 0.0002176600000000, 0.0004371400000000, -0.0008423700000000 ] - [ -0.0032297000000000, 0.0053211200000000, -0.0041252400000000 ] - [ 0.0003883000000000, -0.0012095600000000, -0.0023373800000000 ] - [ 0.0012101100000000, 0.0031522000000000, 0.0009464900000000 ] - [ -0.0005839500000000, -0.0005969900000000, -0.0009560200000000 ] - [ 0.0108855700000000, 0.0052324400000000, -0.0147706300000000 ] - [ -0.0005084200000000, 0.0000308100000000, -0.0017358400000000 ] - [ -0.0011595900000000, 0.0002181000000000, 0.0012736200000000 ] - [ -0.0000031900000000, -0.0000947300000000, -0.0008314800000000 ] - [ -0.0019445400000000, -0.0015239800000000, 0.0007831800000000 ] - [ 0.0004103600000000, 0.0007014200000000, -0.0008084700000000 ] - [ 0.0024953600000000, -0.0021252500000000, 0.0001840500000000 ] - [ -0.0002950500000000, 0.0000552600000000, -0.0012855300000000 ] - [ 0.0014541700000000, 0.0002897100000000, 0.0008661900000000 ] - [ -0.0002271600000000, 0.0006242200000000, -0.0009430800000000 ] - [ -0.0036065000000000, -0.0008908500000000, -0.0008139400000000 ] - [ 0.0015844700000000, 0.0003918700000000, -0.0019387300000000 ] - [ 0.0015375000000000, -0.0011637300000000, -0.0045165000000000 ] - [ -0.0005054100000000, 0.0001575300000000, 0.0025248500000000 ] - [ -0.0016221600000000, -0.0006981400000000, -0.0034924500000000 ] - [ 0.0005275800000000, 0.0000902200000000, 0.0025874400000000 ] - [ 0.0129193800000000, -0.0131782400000000, -0.0314197700000000 ] - [ 0.0001578300000000, -0.0002255400000000, 0.0030828500000000 ] - [ 0.0028710500000000, -0.0005680500000000, 0.0031131000000000 ] - [ -0.0058561400000000, 0.0019568500000000, 0.0036476700000000 ] - [ -0.0045227200000000, 0.0018697200000000, 0.0033246200000000 ] - [ 0.0024638000000000, 0.0002796500000000, 0.0023056500000000 ] - [ -0.0010718000000000, 0.0003888700000000, -0.0018062100000000 ] - [ -0.0000157200000000, 0.0001400800000000, 0.0022782600000000 ] - [ -0.0004957000000000, 0.0006088200000000, -0.0043570500000000 ] - [ 0.0002405100000000, -0.0001096900000000, 0.0024366800000000 ] - [ 0.0023855100000000, -0.0007108400000000, -0.0060486200000000 ] - [ -0.0004722000000000, 0.0003249900000000, 0.0026584500000000 ] - [ 0.0007253500000000, -0.0007134100000000, 0.0013803100000000 ] - [ 0.0003685900000000, 0.0010249300000000, 0.0013013500000000 ] - [ -0.0010880600000000, 0.0029041300000000, 0.0021497800000000 ] - [ 0.0003925000000000, -0.0014601600000000, 0.0016734600000000 ] - [ 0.0010137600000000, -0.0001545400000000, -0.0046515700000000 ] - [ -0.0002553100000000, -0.0000008500000000, 0.0026714800000000 ] - [ -0.0039808500000000, -0.0093834500000000, -0.0189301400000000 ] - [ 0.0000943800000000, -0.0004466200000000, 0.0036651300000000 ]- atom: 33 displacement: [ -0.0050000000037756, 0.0086602540356645, 0.0000000000000000 ] forces: - [ -0.0044120600000000, -0.0099980500000000, 0.0011294600000000 ] - [ 0.0000268800000000, -0.0002088700000000, -0.0001228500000000 ] - [ -0.0000495700000000, -0.0027052200000000, 0.0004502900000000 ] - [ -0.0001102600000000, -0.0000795700000000, -0.0001115600000000 ] - [ 0.0088612000000000, 0.0012192600000000, 0.0002065000000000 ] - [ 0.0001596800000000, 0.0000744500000000, -0.0000964100000000 ] - [ -0.1149118700000000, 0.0447016100000000, 0.0064003800000000 ] - [ -0.0001391000000000, 0.0002793100000000, -0.0001384200000000 ] - [ -0.0058368600000000, 0.0030695600000000, 0.0013196900000000 ] - [ -0.0011064000000000, 0.0004247900000000, -0.0009440300000000 ] - [ 0.0025405900000000, 0.0004816200000000, 0.0010039000000000 ] - [ 0.0004846800000000, -0.0000030800000000, -0.0003119900000000 ] - [ -0.0033395500000000, -0.0046643300000000, 0.0000618500000000 ] - [ -0.0002554100000000, -0.0002334800000000, 0.0003591800000000 ] - [ 0.0015250500000000, -0.0022647900000000, -0.0004673300000000 ] - [ 0.0004496300000000, -0.0007233500000000, -0.0000082300000000 ] - [ 0.0025602100000000, 0.0017185900000000, -0.0000986200000000 ] - [ 0.0003432900000000, 0.0002683400000000, 0.0001767400000000 ] - [ -0.0011783200000000, -0.0032796800000000, 0.0028922400000000 ] - [ 0.0002676200000000, -0.0002409800000000, -0.0008499500000000 ] - [ 0.0012969000000000, -0.0052555900000000, -0.0010970100000000 ] - [ -0.0000700600000000, -0.0002227700000000, 0.0005915000000000 ] - [ 0.0002802600000000, 0.0005006800000000, -0.0001367800000000 ] - [ 0.0001947100000000, 0.0001246500000000, -0.0000710200000000 ] - [ 0.0018863200000000, 0.0014363200000000, -0.0001978800000000 ] - [ -0.0004839600000000, -0.0000048700000000, 0.0000787400000000 ] - [ -0.0032882500000000, 0.0009343700000000, 0.0004040700000000 ] - [ 0.0000120200000000, -0.0005286900000000, 0.0002295000000000 ] - [ -0.0004912800000000, 0.0033556600000000, 0.0002525600000000 ] - [ -0.0004773300000000, 0.0002868200000000, 0.0002309500000000 ] - [ -0.0086332100000000, 0.0200323800000000, -0.0011440100000000 ] - [ 0.0003845400000000, 0.0004553100000000, 0.0001827700000000 ] - [ 0.2149338600000000, -0.1121773100000000, -0.0356884000000000 ] - [ 0.0002643000000000, -0.0001509900000000, 0.0001204800000000 ] - [ 0.0044692600000000, -0.0128743300000000, -0.0008690300000000 ] - [ 0.0000374600000000, -0.0002481500000000, 0.0001992000000000 ] - [ -0.0525410500000000, 0.0251492200000000, 0.0022559800000000 ] - [ -0.0000870400000000, -0.0000015600000000, 0.0001823400000000 ] - [ -0.0307140000000000, -0.0032942400000000, -0.0001962300000000 ] - [ -0.0004469000000000, -0.0000622600000000, 0.0001445000000000 ] - [ 0.0002191600000000, 0.0012315900000000, -0.0003422100000000 ] - [ 0.0002555600000000, 0.0003809300000000, 0.0000975900000000 ] - [ -0.0026466800000000, 0.0087639400000000, -0.0006817000000000 ] - [ 0.0000895900000000, -0.0001533500000000, 0.0001089000000000 ] - [ -0.0065368400000000, -0.0021795200000000, -0.0009287600000000 ] - [ 0.0000557800000000, 0.0004510400000000, 0.0000538000000000 ] - [ 0.0075295100000000, 0.0046390300000000, -0.0006766900000000 ] - [ 0.0004442800000000, -0.0004132500000000, 0.0000658600000000 ] - [ 0.0018421200000000, 0.0015680400000000, -0.0063017400000000 ] - [ -0.0004232800000000, -0.0000941200000000, 0.0011085800000000 ] - [ 0.0000982900000000, 0.0016268400000000, 0.0000899700000000 ] - [ 0.0002162400000000, -0.0002379000000000, -0.0000523000000000 ] - [ -0.0021853600000000, -0.0003431300000000, 0.0002144300000000 ] - [ -0.0008694000000000, 0.0000432400000000, 0.0000721100000000 ] - [ 0.0013835100000000, 0.0000298200000000, -0.0003234800000000 ] - [ 0.0007617900000000, 0.0003862600000000, 0.0004277200000000 ] - [ -0.0006107900000000, 0.0003961900000000, -0.0000814600000000 ] - [ -0.0000368900000000, 0.0002009000000000, 0.0002848800000000 ] - [ -0.0003794100000000, 0.0017474700000000, 0.0000098100000000 ] - [ -0.0001846600000000, 0.0004400800000000, 0.0001449000000000 ] - [ -0.0019193000000000, 0.0013102700000000, 0.0019060600000000 ] - [ -0.0004675000000000, 0.0005868700000000, -0.0005372100000000 ] - [ 0.0016570200000000, 0.0002404000000000, -0.0007981900000000 ] - [ -0.0000998200000000, 0.0000296900000000, 0.0000408600000000 ] - [ -0.0014369500000000, 0.0011671300000000, -0.0020573900000000 ] - [ -0.0001001100000000, 0.0003575100000000, 0.0004312200000000 ] - [ 0.0004636000000000, -0.0046536900000000, 0.0039150400000000 ] - [ 0.0006882700000000, -0.0011652900000000, -0.0002600200000000 ] - [ 0.0053519500000000, 0.0061376500000000, 0.0097767200000000 ] - [ 0.0004440500000000, 0.0002860700000000, -0.0003673600000000 ] - [ -0.0004479900000000, -0.0010380700000000, -0.0013582700000000 ] - [ 0.0001439200000000, -0.0005024000000000, 0.0004394000000000 ] - [ -0.0024684700000000, -0.0005999400000000, -0.0006782400000000 ] - [ -0.0009316600000000, -0.0001675400000000, 0.0002063500000000 ] - [ -0.0005671900000000, 0.0052114300000000, 0.0109245200000000 ] - [ 0.0003956100000000, -0.0008412900000000, -0.0003530500000000 ] - [ 0.0025652600000000, 0.0008969900000000, -0.0028203700000000 ] - [ -0.0001205700000000, 0.0000899600000000, 0.0010136900000000 ] - [ -0.0014542800000000, -0.0017432900000000, 0.0022731600000000 ] - [ 0.0003315100000000, 0.0002546200000000, -0.0000670100000000 ] - [ -0.0007186900000000, 0.0003462600000000, 0.0000348300000000 ] - [ -0.0001570500000000, 0.0001488200000000, -0.0000078700000000 ] - [ -0.0001653600000000, -0.0017059500000000, -0.0003349200000000 ] - [ -0.0002669700000000, -0.0005009500000000, 0.0003061500000000 ] - [ 0.0003773900000000, 0.0001934400000000, 0.0001098500000000 ] - [ 0.0000003800000000, 0.0001883300000000, 0.0000657500000000 ] - [ -0.0020668800000000, 0.0022190800000000, 0.0019377800000000 ] - [ -0.0004526800000000, 0.0001958700000000, -0.0002475500000000 ] - [ -0.0022148200000000, 0.0009684400000000, -0.0073345500000000 ] - [ 0.0001787400000000, 0.0002352200000000, 0.0005785800000000 ] - [ -0.0000537400000000, -0.0008357800000000, 0.0005782000000000 ] - [ 0.0002691500000000, -0.0004379900000000, 0.0000898700000000 ] - [ 0.0004104500000000, 0.0032777800000000, -0.0002569500000000 ] - [ 0.0002072000000000, 0.0007682100000000, -0.0001219400000000 ] - [ -0.0000948600000000, 0.0016579900000000, -0.0012437300000000 ] - [ 0.0001144800000000, -0.0000293200000000, 0.0002861500000000 ] - [ 0.0030463600000000, 0.0011652000000000, 0.0016312900000000 ] - [ -0.0000057400000000, 0.0001394100000000, -0.0003306600000000 ] - [ -0.0162028000000000, 0.0182142900000000, 0.0092381600000000 ] - [ -0.0000556700000000, 0.0002591000000000, 0.0000715600000000 ] - [ -0.0032904300000000, 0.0015296100000000, -0.0013379000000000 ] - [ -0.0003808800000000, -0.0001727000000000, -0.0004165100000000 ] - [ 0.0010634700000000, -0.0018997600000000, -0.0003816100000000 ] - [ 0.0005615200000000, -0.0016242100000000, 0.0000995700000000 ] - [ -0.0006748000000000, -0.0002958600000000, -0.0006956400000000 ] - [ -0.0002547800000000, -0.0005042400000000, -0.0001425000000000 ] - [ 0.0010243500000000, -0.0110345900000000, 0.0070238500000000 ] - [ 0.0001884800000000, -0.0003514400000000, -0.0005714700000000 ] - [ -0.0082218400000000, 0.0178986000000000, 0.0056622300000000 ] - [ -0.0002429600000000, 0.0003427600000000, -0.0004020300000000 ] - [ 0.0098547400000000, -0.0043206200000000, -0.0067561900000000 ] - [ 0.0002130000000000, 0.0000091200000000, -0.0000678300000000 ] - [ 0.0015713400000000, 0.0013117400000000, 0.0015708700000000 ] - [ 0.0011853600000000, 0.0005541300000000, -0.0013685700000000 ] - [ -0.0007137900000000, 0.0031907400000000, -0.0022962800000000 ] - [ -0.0018956200000000, 0.0031281600000000, 0.0006882200000000 ] - [ 0.0049598700000000, -0.0041556400000000, 0.0029416800000000 ] - [ 0.0002906600000000, -0.0002804500000000, -0.0003960900000000 ] - [ -0.0007639900000000, 0.0006466000000000, 0.0008506900000000 ] - [ -0.0000784300000000, -0.0000713800000000, -0.0002976500000000 ]- atom: 33 displacement: [ 0.0050000000037756, -0.0086602540356645, 0.0000000000000000 ] forces: - [ 0.0043267200000000, 0.0099815800000000, -0.0011180300000000 ] - [ -0.0000497800000000, 0.0002425500000000, 0.0001231200000000 ] - [ 0.0000693000000000, 0.0026379400000000, -0.0004420200000000 ] - [ 0.0000839900000000, 0.0000325200000000, 0.0001115600000000 ] - [ -0.0088497800000000, -0.0012460100000000, -0.0002089000000000 ] - [ -0.0001198100000000, -0.0000766800000000, 0.0000948800000000 ] - [ 0.1185497500000000, -0.0434511300000000, -0.0062816100000000 ] - [ 0.0001451800000000, -0.0002696300000000, 0.0001375700000000 ] - [ 0.0058107600000000, -0.0030503100000000, -0.0012958700000000 ] - [ 0.0010736400000000, -0.0003906000000000, 0.0009421600000000 ] - [ -0.0025745900000000, -0.0005394600000000, -0.0010117700000000 ] - [ -0.0005141100000000, -0.0000425000000000, 0.0003142100000000 ] - [ 0.0033697900000000, 0.0046696600000000, -0.0000643400000000 ] - [ 0.0002919700000000, 0.0002378100000000, -0.0003604500000000 ] - [ -0.0015112200000000, 0.0022742000000000, 0.0004601200000000 ] - [ -0.0004476800000000, 0.0007359200000000, 0.0000080500000000 ] - [ -0.0025691000000000, -0.0016950700000000, 0.0000966300000000 ] - [ -0.0003593300000000, -0.0002369300000000, -0.0001780300000000 ] - [ 0.0011344800000000, 0.0032507000000000, -0.0028760100000000 ] - [ -0.0002908200000000, 0.0001953400000000, 0.0008483500000000 ] - [ -0.0012195700000000, 0.0052140800000000, 0.0011026900000000 ] - [ 0.0001180000000000, 0.0002135000000000, -0.0005943500000000 ] - [ -0.0002834000000000, -0.0004960200000000, 0.0001383900000000 ] - [ -0.0001884300000000, -0.0001185900000000, 0.0000707700000000 ] - [ -0.0028473900000000, -0.0017174900000000, 0.0000504700000000 ] - [ -0.0005122800000000, -0.0002761500000000, -0.0002209300000000 ] - [ 0.0035182400000000, -0.0019321200000000, -0.0002590300000000 ] - [ 0.0002414000000000, -0.0004784200000000, -0.0000861800000000 ] - [ -0.0005342800000000, -0.0030680600000000, -0.0001126100000000 ] - [ -0.0005189500000000, -0.0000027400000000, -0.0000876000000000 ] - [ 0.0091710500000000, -0.0189806700000000, 0.0012914500000000 ] - [ 0.0003606500000000, 0.0002684700000000, -0.0000395500000000 ] - [ -0.2171517200000000, 0.1100907500000000, 0.0339887400000000 ] - [ 0.0000123300000000, 0.0001485300000000, -0.0001185100000000 ] - [ -0.0048606200000000, 0.0125328800000000, 0.0007865700000000 ] - [ -0.0001858600000000, -0.0000058500000000, -0.0001977700000000 ] - [ 0.0534421100000000, -0.0252642500000000, -0.0022462400000000 ] - [ -0.0000549000000000, 0.0002377800000000, -0.0001797500000000 ] - [ 0.0296696000000000, 0.0032010700000000, 0.0001893100000000 ] - [ -0.0002996700000000, 0.0000641900000000, -0.0001444400000000 ] - [ 0.0001478700000000, -0.0005755800000000, 0.0003390600000000 ] - [ 0.0001245400000000, 0.0002778500000000, -0.0000968500000000 ] - [ 0.0030315000000000, -0.0093990200000000, 0.0006735700000000 ] - [ 0.0002854300000000, -0.0004917900000000, -0.0001088600000000 ] - [ 0.0068097500000000, 0.0031893600000000, 0.0007862500000000 ] - [ 0.0001992300000000, 0.0005598000000000, -0.0001956700000000 ] - [ -0.0068125300000000, -0.0053052700000000, 0.0005227900000000 ] - [ 0.0002995300000000, -0.0003068000000000, -0.0002072300000000 ] - [ -0.0028424500000000, -0.0018219500000000, 0.0061947600000000 ] - [ -0.0005731500000000, -0.0001504200000000, -0.0012482600000000 ] - [ 0.0001933300000000, -0.0026188700000000, 0.0000560800000000 ] - [ 0.0000721600000000, -0.0007522700000000, 0.0001950300000000 ] - [ 0.0011951500000000, 0.0005896500000000, -0.0000665100000000 ] - [ -0.0001244800000000, 0.0002033800000000, 0.0000723000000000 ] - [ -0.0006713600000000, 0.0007162400000000, 0.0004609700000000 ] - [ -0.0000490600000000, 0.0003571900000000, -0.0002833400000000 ] - [ 0.0009412800000000, -0.0004148100000000, 0.0000804000000000 ] - [ 0.0003762700000000, -0.0002204000000000, -0.0002839000000000 ] - [ 0.0001819400000000, -0.0020440200000000, -0.0000023800000000 ] - [ -0.0000092700000000, -0.0007393300000000, -0.0001463100000000 ] - [ 0.0017553300000000, -0.0010168000000000, -0.0018922300000000 ] - [ 0.0003119400000000, -0.0002915700000000, 0.0005368400000000 ] - [ -0.0024645500000000, -0.0002523100000000, 0.0007875900000000 ] - [ -0.0007129300000000, -0.0000378500000000, -0.0000407700000000 ] - [ 0.0018489200000000, -0.0004428200000000, 0.0020735700000000 ] - [ 0.0005057800000000, 0.0003659200000000, -0.0004320200000000 ] - [ -0.0000139000000000, 0.0039361300000000, -0.0039431200000000 ] - [ -0.0002684300000000, 0.0004638000000000, 0.0002597200000000 ] - [ -0.0050384800000000, -0.0051530000000000, -0.0098641300000000 ] - [ -0.0001561600000000, 0.0007073400000000, 0.0002258000000000 ] - [ 0.0011586800000000, 0.0003097100000000, 0.0012108200000000 ] - [ 0.0005710400000000, -0.0002389900000000, -0.0005823700000000 ] - [ 0.0014697300000000, 0.0003543600000000, 0.0005298800000000 ] - [ -0.0000669600000000, -0.0000752900000000, -0.0003473700000000 ] - [ 0.0008046600000000, -0.0061606500000000, -0.0108195800000000 ] - [ -0.0001135100000000, -0.0001458300000000, 0.0004968300000000 ] - [ -0.0035431800000000, -0.0006690200000000, 0.0029546400000000 ] - [ -0.0008807800000000, 0.0001598600000000, -0.0008675800000000 ] - [ 0.0021648000000000, 0.0025002400000000, -0.0021412700000000 ] - [ 0.0003839600000000, 0.0004905600000000, 0.0002114600000000 ] - [ 0.0010628500000000, -0.0003323800000000, -0.0000396400000000 ] - [ 0.0004961300000000, -0.0001340200000000, 0.0000125800000000 ] - [ 0.0000126200000000, 0.0013922200000000, 0.0003406600000000 ] - [ 0.0001039700000000, 0.0001872800000000, -0.0003056700000000 ] - [ -0.0005618200000000, 0.0000871100000000, -0.0001070600000000 ] - [ -0.0001873100000000, 0.0000938800000000, -0.0000642400000000 ] - [ 0.0012349600000000, -0.0022069900000000, -0.0019533700000000 ] - [ -0.0003651300000000, -0.0001831000000000, 0.0002503400000000 ] - [ 0.0026358000000000, -0.0002785700000000, 0.0072952200000000 ] - [ 0.0002439600000000, 0.0004747800000000, -0.0005786200000000 ] - [ 0.0004450000000000, 0.0001326400000000, -0.0005720100000000 ] - [ 0.0001286800000000, -0.0002676800000000, -0.0000902100000000 ] - [ -0.0001300500000000, -0.0022709900000000, 0.0001102300000000 ] - [ 0.0000783600000000, 0.0002229700000000, -0.0000207400000000 ] - [ 0.0008146400000000, -0.0024051000000000, 0.0010868900000000 ] - [ 0.0005977200000000, -0.0007099700000000, -0.0004274200000000 ] - [ -0.0029616900000000, -0.0012321100000000, -0.0015928100000000 ] - [ 0.0000511300000000, -0.0002116400000000, 0.0003256600000000 ] - [ 0.0148575300000000, -0.0173210100000000, -0.0077249800000000 ] - [ 0.0000955700000000, -0.0001837900000000, -0.0000770100000000 ] - [ 0.0031901200000000, -0.0014881900000000, 0.0013261400000000 ] - [ 0.0002954300000000, 0.0001751400000000, 0.0004177800000000 ] - [ -0.0010234200000000, 0.0018290100000000, 0.0003853200000000 ] - [ -0.0005235900000000, 0.0015556800000000, -0.0001091900000000 ] - [ 0.0007158700000000, 0.0003660200000000, 0.0006917000000000 ] - [ 0.0002994300000000, 0.0005723000000000, 0.0001442900000000 ] - [ -0.0010755400000000, 0.0110520800000000, -0.0070584100000000 ] - [ -0.0002711700000000, 0.0003479600000000, 0.0005660400000000 ] - [ 0.0082254200000000, -0.0177534000000000, -0.0055511100000000 ] - [ 0.0002836700000000, -0.0004166200000000, 0.0004043300000000 ] - [ -0.0098274900000000, 0.0043956800000000, 0.0068057700000000 ] - [ -0.0001699800000000, 0.0000635200000000, 0.0000675500000000 ] - [ -0.0016593000000000, -0.0013088800000000, -0.0015734900000000 ] - [ -0.0012763200000000, -0.0005433300000000, 0.0013671100000000 ] - [ 0.0007306400000000, -0.0031861300000000, 0.0022766500000000 ] - [ 0.0018994700000000, -0.0031272700000000, -0.0006868100000000 ] - [ -0.0049231000000000, 0.0041546100000000, -0.0029074900000000 ] - [ -0.0002903200000000, 0.0002809900000000, 0.0003937900000000 ] - [ 0.0007327300000000, -0.0006430100000000, -0.0008519700000000 ] - [ 0.0000772200000000, 0.0000727600000000, 0.0002945700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002028900000000, -0.0009699100000000, 0.0017270800000000 ] - [ -0.0000032600000000, -0.0000200500000000, -0.0008964500000000 ] - [ 0.0001999200000000, -0.0010192100000000, 0.0017302400000000 ] - [ -0.0000215300000000, -0.0000587500000000, -0.0008962800000000 ] - [ -0.0000000200000000, -0.0000057700000000, -0.0000239100000000 ] - [ 0.0000212800000000, -0.0000126600000000, -0.0007954800000000 ] - [ -0.0009129900000000, 0.0060927500000000, 0.0517586700000000 ] - [ 0.0000013800000000, 0.0001315600000000, -0.0009672900000000 ] - [ 0.0010761600000000, 0.0070392400000000, -0.0007836200000000 ] - [ -0.0008354000000000, -0.0007048900000000, -0.0017627600000000 ] - [ 0.0000963800000000, 0.0002622400000000, 0.0004935500000000 ] - [ 0.0001843700000000, -0.0000759300000000, -0.0004446100000000 ] - [ -0.0048008200000000, -0.0082418500000000, 0.0009657000000000 ] - [ 0.0003947000000000, 0.0009397600000000, -0.0012902600000000 ] - [ 0.0008318600000000, -0.0010032000000000, 0.0004167500000000 ] - [ -0.0004863400000000, 0.0003831200000000, -0.0005967700000000 ] - [ -0.0001121900000000, 0.0003049200000000, 0.0004814300000000 ] - [ -0.0002077400000000, -0.0000366400000000, -0.0004410300000000 ] - [ -0.0011056100000000, 0.0069524800000000, -0.0007979100000000 ] - [ 0.0008136300000000, -0.0007506000000000, -0.0017715900000000 ] - [ 0.0048046700000000, -0.0082023200000000, 0.0009417500000000 ] - [ -0.0003566200000000, 0.0009401200000000, -0.0012957000000000 ] - [ -0.0008219700000000, -0.0010015200000000, 0.0004087000000000 ] - [ 0.0004958100000000, 0.0003841300000000, -0.0005948200000000 ] - [ -0.0003848000000000, -0.0003470900000000, -0.0021681000000000 ] - [ -0.0005685500000000, 0.0001911400000000, 0.0011072700000000 ] - [ 0.0007139500000000, -0.0004147000000000, -0.0010186800000000 ] - [ -0.0000777200000000, -0.0005782400000000, 0.0011178900000000 ] - [ -0.0006138200000000, -0.0000543300000000, -0.0020251100000000 ] - [ -0.0004265200000000, 0.0004722300000000, 0.0012491300000000 ] - [ -0.0011353300000000, 0.0023863100000000, -0.0044229800000000 ] - [ 0.0005377500000000, 0.0001577200000000, 0.0013277500000000 ] - [ 0.0023787700000000, -0.0402265500000000, -0.1163545900000000 ] - [ 0.0001376500000000, 0.0001366200000000, 0.0013801200000000 ] - [ 0.0020520400000000, 0.0020828400000000, -0.0150147800000000 ] - [ 0.0001081300000000, -0.0002505300000000, 0.0011268300000000 ] - [ -0.0024465000000000, 0.0024194700000000, -0.0149230200000000 ] - [ -0.0002501400000000, -0.0000078300000000, 0.0011264700000000 ] - [ -0.0003009600000000, 0.0000842600000000, -0.0063893400000000 ] - [ -0.0003736800000000, 0.0000320600000000, 0.0012188500000000 ] - [ 0.0004412900000000, 0.0012462700000000, -0.0011818100000000 ] - [ 0.0002539100000000, 0.0003274600000000, 0.0009869800000000 ] - [ -0.0000762400000000, 0.0006104500000000, -0.0011803900000000 ] - [ 0.0001229300000000, -0.0003225100000000, 0.0009867500000000 ] - [ -0.0004701900000000, 0.0006056000000000, -0.0011620800000000 ] - [ 0.0003308600000000, 0.0004297300000000, 0.0009755100000000 ] - [ 0.0019146200000000, 0.0017208600000000, -0.0045614600000000 ] - [ 0.0002059700000000, -0.0005649600000000, 0.0011855400000000 ] - [ 0.0018001800000000, -0.0059105800000000, 0.0040559000000000 ] - [ -0.0007889900000000, 0.0004057500000000, 0.0022689200000000 ] - [ -0.0000481200000000, 0.0032467700000000, -0.0007002200000000 ] - [ -0.0000329200000000, -0.0010467700000000, 0.0009625700000000 ] - [ -0.0015442300000000, -0.0001643700000000, -0.0004969800000000 ] - [ -0.0003290300000000, 0.0003592300000000, 0.0008030900000000 ] - [ -0.0010300100000000, -0.0023651700000000, -0.0005942000000000 ] - [ 0.0010063200000000, 0.0008421400000000, 0.0010391200000000 ] - [ 0.0000499600000000, -0.0000367700000000, -0.0005102800000000 ] - [ 0.0004623100000000, 0.0001479700000000, 0.0006861200000000 ] - [ 0.0000130300000000, -0.0000931700000000, -0.0005628900000000 ] - [ -0.0000305100000000, -0.0002784100000000, 0.0009204300000000 ] - [ -0.0019824800000000, 0.0016386600000000, 0.0000020200000000 ] - [ 0.0004567500000000, -0.0005137900000000, 0.0014551900000000 ] - [ 0.0026541900000000, 0.0010430000000000, -0.0003971900000000 ] - [ -0.0008187000000000, -0.0001309800000000, 0.0007794300000000 ] - [ 0.0003431900000000, 0.0004108200000000, -0.0008762200000000 ] - [ -0.0000323200000000, 0.0003182500000000, 0.0007782900000000 ] - [ -0.0071660500000000, -0.0045536300000000, 0.0101335800000000 ] - [ 0.0004605200000000, -0.0000359000000000, 0.0016447600000000 ] - [ 0.0058330300000000, 0.0155291300000000, 0.0147090700000000 ] - [ 0.0003223500000000, 0.0000095400000000, 0.0016671500000000 ] - [ 0.0011201800000000, -0.0004277000000000, -0.0010266500000000 ] - [ -0.0002882300000000, -0.0005072400000000, 0.0008865400000000 ] - [ 0.0005364700000000, -0.0004064200000000, -0.0006290800000000 ] - [ -0.0006679300000000, 0.0001143700000000, 0.0006559200000000 ] - [ -0.0054946800000000, 0.0142911000000000, 0.0146038600000000 ] - [ -0.0000358900000000, -0.0009825200000000, 0.0018134800000000 ] - [ -0.0027644800000000, -0.0055680500000000, 0.0041414000000000 ] - [ -0.0002055700000000, 0.0006536300000000, 0.0024219500000000 ] - [ -0.0004033100000000, 0.0003081000000000, -0.0008582400000000 ] - [ 0.0010066300000000, 0.0002361500000000, 0.0010267700000000 ] - [ 0.0002841200000000, -0.0000164200000000, -0.0004990100000000 ] - [ -0.0001288500000000, 0.0001655500000000, 0.0006845100000000 ] - [ 0.0018114500000000, 0.0013247900000000, 0.0000117600000000 ] - [ -0.0006221800000000, -0.0008226000000000, 0.0014609100000000 ] - [ -0.0002017500000000, 0.0001958600000000, -0.0005513200000000 ] - [ -0.0001580600000000, 0.0000089600000000, 0.0009204100000000 ] - [ -0.0034417600000000, 0.0010519200000000, -0.0003812600000000 ] - [ 0.0000096000000000, -0.0001215000000000, 0.0007776900000000 ] - [ 0.0074551400000000, -0.0037856500000000, 0.0099681500000000 ] - [ -0.0000422500000000, 0.0006722300000000, 0.0016496100000000 ] - [ 0.0000579300000000, -0.0003065600000000, -0.0008631700000000 ] - [ 0.0004356400000000, -0.0003958400000000, 0.0007753100000000 ] - [ 0.0003349100000000, 0.0042040300000000, -0.0008294300000000 ] - [ 0.0003190700000000, -0.0000619000000000, 0.0008180300000000 ] - [ 0.0017304400000000, -0.0030866700000000, -0.0007265600000000 ] - [ -0.0002991200000000, 0.0001074100000000, 0.0008950400000000 ] - [ -0.0010840000000000, 0.0001444700000000, 0.0027365100000000 ] - [ 0.0000994400000000, -0.0000352100000000, -0.0021144000000000 ] - [ -0.0050574200000000, 0.0066444000000000, 0.0269323700000000 ] - [ -0.0001574700000000, 0.0002401000000000, -0.0029345900000000 ] - [ 0.0025266300000000, 0.0007709900000000, 0.0048586200000000 ] - [ -0.0005380100000000, -0.0003190400000000, -0.0024606700000000 ] - [ 0.0007181500000000, 0.0003898100000000, -0.0013933600000000 ] - [ 0.0005150000000000, -0.0007150500000000, -0.0007871800000000 ] - [ -0.0004700500000000, -0.0006371500000000, -0.0007982400000000 ] - [ -0.0006804600000000, 0.0004650000000000, -0.0013857100000000 ] - [ -0.0026263300000000, 0.0007352300000000, 0.0049219100000000 ] - [ 0.0004494700000000, -0.0003199500000000, -0.0024633700000000 ] - [ 0.0040170100000000, 0.0057920500000000, 0.0260847300000000 ] - [ 0.0001987900000000, 0.0001673900000000, -0.0029344100000000 ] - [ 0.0011561300000000, 0.0001889600000000, 0.0026637700000000 ] - [ -0.0000560800000000, 0.0000363100000000, -0.0021093500000000 ] - [ -0.0034506800000000, -0.0012838400000000, -0.0026934600000000 ] - [ 0.0033950000000000, -0.0012955700000000, -0.0026948000000000 ] - [ 0.0039665000000000, 0.0010060400000000, -0.0053715000000000 ] - [ -0.0039978400000000, 0.0010134200000000, -0.0053912800000000 ] - [ -0.0005179400000000, -0.0000206200000000, 0.0042543100000000 ] - [ 0.0002362000000000, -0.0000360300000000, -0.0025391700000000 ] - [ 0.0005198000000000, -0.0000261200000000, 0.0042948800000000 ] - [ -0.0002340000000000, -0.0000356100000000, -0.0025420000000000 ]- atom: 39 displacement: [ -0.0050000000037756, 0.0086602540356645, 0.0000000000000000 ] forces: - [ -0.0030903100000000, -0.0033675400000000, 0.0010345300000000 ] - [ -0.0001110000000000, -0.0000234500000000, -0.0000697600000000 ] - [ 0.0059832900000000, -0.0091760400000000, 0.0018282700000000 ] - [ 0.0001087100000000, -0.0002416300000000, -0.0000652500000000 ] - [ -0.1245569500000000, 0.0438527100000000, 0.0058102000000000 ] - [ -0.0001267900000000, 0.0002071900000000, -0.0001002000000000 ] - [ 0.0089557200000000, 0.0013035700000000, -0.0000001200000000 ] - [ 0.0001848500000000, 0.0000864700000000, -0.0000048800000000 ] - [ 0.0028207100000000, -0.0041405200000000, 0.0016457900000000 ] - [ 0.0002589000000000, -0.0000865100000000, -0.0004460300000000 ] - [ -0.0003426800000000, 0.0015991200000000, -0.0010734300000000 ] - [ -0.0003524800000000, 0.0002890700000000, 0.0002304100000000 ] - [ 0.0004982900000000, 0.0002900700000000, -0.0002186900000000 ] - [ 0.0001483500000000, 0.0000520200000000, -0.0000983900000000 ] - [ 0.0003948400000000, -0.0042709800000000, -0.0013658000000000 ] - [ -0.0002616400000000, -0.0001735800000000, 0.0003152200000000 ] - [ 0.0037589300000000, 0.0009917800000000, 0.0027802400000000 ] - [ 0.0003955900000000, 0.0001531800000000, -0.0003804700000000 ] - [ -0.0003197500000000, 0.0030573600000000, 0.0006317100000000 ] - [ -0.0002840300000000, 0.0005684000000000, -0.0001465800000000 ] - [ 0.0010379300000000, -0.0026744000000000, -0.0005898200000000 ] - [ 0.0003694800000000, -0.0007858800000000, 0.0002377400000000 ] - [ -0.0035835800000000, -0.0040541700000000, 0.0000576100000000 ] - [ -0.0004812700000000, -0.0002298900000000, 0.0000777800000000 ] - [ 0.0020390300000000, 0.0012633000000000, -0.0001125100000000 ] - [ -0.0004308600000000, -0.0001000200000000, -0.0000613600000000 ] - [ -0.0611198600000000, 0.0277559800000000, 0.0072274300000000 ] - [ 0.0001602800000000, -0.0005987600000000, 0.0001496300000000 ] - [ -0.0043579600000000, 0.0038293000000000, 0.0003553100000000 ] - [ -0.0005824500000000, 0.0002768200000000, 0.0001303900000000 ] - [ 0.0114378600000000, 0.0136283300000000, 0.0006743700000000 ] - [ 0.0004588500000000, 0.0003377100000000, 0.0001064300000000 ] - [ -0.0299074400000000, -0.0032002000000000, 0.0000752900000000 ] - [ 0.0000648100000000, -0.0000645500000000, 0.0000265700000000 ] - [ -0.0065290600000000, -0.0029692800000000, -0.0006731700000000 ] - [ -0.0001719200000000, -0.0001699800000000, 0.0000322600000000 ] - [ -0.0028978700000000, 0.0017096100000000, 0.0002583500000000 ] - [ -0.0001684200000000, 0.0000991900000000, 0.0000639100000000 ] - [ 0.2288288400000000, -0.1120875000000000, -0.0403403800000000 ] - [ -0.0002371400000000, -0.0000976400000000, 0.0000179100000000 ] - [ -0.0014694600000000, 0.0081036000000000, -0.0010361900000000 ] - [ 0.0001544200000000, 0.0004628500000000, 0.0000206000000000 ] - [ -0.0001538000000000, 0.0017897400000000, -0.0004605200000000 ] - [ 0.0002100000000000, -0.0002941600000000, 0.0000151300000000 ] - [ 0.0107055100000000, -0.0110527800000000, 0.0019402400000000 ] - [ 0.0002003900000000, 0.0004101600000000, 0.0000028700000000 ] - [ -0.0132729200000000, 0.0281880400000000, -0.0000260100000000 ] - [ 0.0003336500000000, -0.0002546900000000, -0.0000536900000000 ] - [ -0.0027932400000000, 0.0006876700000000, -0.0006336500000000 ] - [ -0.0007836500000000, -0.0000662500000000, 0.0002109300000000 ] - [ 0.0007993200000000, 0.0000298400000000, -0.0002656300000000 ] - [ 0.0002836100000000, -0.0003924100000000, 0.0000735400000000 ] - [ 0.0011019100000000, -0.0016880400000000, 0.0001812900000000 ] - [ 0.0001481100000000, -0.0003693300000000, 0.0002886100000000 ] - [ 0.0004971700000000, 0.0028650300000000, -0.0014575300000000 ] - [ 0.0001309700000000, 0.0006707700000000, 0.0004065600000000 ] - [ -0.0013188800000000, 0.0022923900000000, 0.0024391800000000 ] - [ 0.0001682500000000, 0.0002018300000000, -0.0003197300000000 ] - [ 0.0004505700000000, 0.0019125800000000, 0.0000312700000000 ] - [ -0.0000571400000000, 0.0000427100000000, -0.0000821900000000 ] - [ 0.0001773900000000, 0.0027900500000000, 0.0073105500000000 ] - [ 0.0004015800000000, -0.0000913700000000, -0.0002528800000000 ] - [ -0.0013132700000000, 0.0004477000000000, 0.0000337700000000 ] - [ -0.0006927000000000, 0.0001717400000000, -0.0000782400000000 ] - [ -0.0000577500000000, 0.0000712100000000, 0.0001081700000000 ] - [ 0.0002578600000000, 0.0003071600000000, 0.0000394800000000 ] - [ -0.0034728800000000, 0.0009610500000000, -0.0111999000000000 ] - [ 0.0000946300000000, -0.0005615600000000, 0.0004945400000000 ] - [ 0.0001237500000000, -0.0010049000000000, -0.0004623500000000 ] - [ 0.0001114600000000, 0.0003668800000000, 0.0000303500000000 ] - [ -0.0013779500000000, -0.0019536400000000, 0.0020826200000000 ] - [ 0.0002757800000000, -0.0005472100000000, -0.0002776500000000 ] - [ -0.0015721900000000, -0.0012188900000000, -0.0045552500000000 ] - [ -0.0007987300000000, -0.0003421300000000, 0.0006147100000000 ] - [ -0.0020570500000000, 0.0008066700000000, 0.0023601300000000 ] - [ -0.0001702700000000, -0.0002308700000000, -0.0004215100000000 ] - [ -0.0008195500000000, -0.0005748700000000, 0.0002667400000000 ] - [ -0.0004859200000000, 0.0000176300000000, -0.0000384200000000 ] - [ -0.0012857800000000, -0.0009884100000000, -0.0004731700000000 ] - [ 0.0000805000000000, 0.0001500900000000, 0.0002759700000000 ] - [ 0.0020740200000000, 0.0001706600000000, -0.0006080700000000 ] - [ 0.0004352900000000, 0.0000186200000000, 0.0000969300000000 ] - [ 0.0035073100000000, 0.0039446300000000, 0.0072500900000000 ] - [ 0.0003827900000000, 0.0000122800000000, -0.0004005800000000 ] - [ -0.0003477500000000, 0.0021840400000000, 0.0001382300000000 ] - [ -0.0000245100000000, 0.0004515800000000, -0.0002341500000000 ] - [ -0.0010216200000000, 0.0006226000000000, -0.0000109800000000 ] - [ -0.0006408500000000, 0.0002118400000000, 0.0001506700000000 ] - [ 0.0009149200000000, -0.0045461400000000, 0.0022415500000000 ] - [ 0.0004525800000000, -0.0004979900000000, -0.0002718400000000 ] - [ -0.0015360200000000, 0.0009533800000000, -0.0007934300000000 ] - [ -0.0001343300000000, -0.0002240900000000, 0.0003363900000000 ] - [ -0.0007979700000000, 0.0028125000000000, -0.0007045800000000 ] - [ 0.0000277900000000, 0.0011892300000000, 0.0001101200000000 ] - [ 0.0020538500000000, -0.0011724600000000, -0.0015975600000000 ] - [ 0.0007589100000000, -0.0004853400000000, 0.0003383700000000 ] - [ 0.0108180900000000, -0.0048118500000000, -0.0064542200000000 ] - [ 0.0002266000000000, -0.0000691800000000, 0.0001634600000000 ] - [ -0.0081359900000000, 0.0179804600000000, 0.0048453700000000 ] - [ -0.0001726000000000, 0.0003834200000000, -0.0001416800000000 ] - [ 0.0008072100000000, -0.0009638700000000, 0.0002454300000000 ] - [ 0.0001533800000000, -0.0001939500000000, -0.0000605300000000 ] - [ -0.0003100200000000, -0.0007642400000000, 0.0000698500000000 ] - [ -0.0008059400000000, -0.0003373000000000, -0.0005991100000000 ] - [ 0.0008996300000000, -0.0014119200000000, 0.0001907800000000 ] - [ 0.0013562800000000, -0.0021303100000000, -0.0002748100000000 ] - [ 0.0019540200000000, -0.0022956200000000, 0.0004662300000000 ] - [ 0.0001057500000000, -0.0002134200000000, -0.0000728500000000 ] - [ -0.0137249900000000, 0.0175244200000000, 0.0060907400000000 ] - [ -0.0000450100000000, 0.0001376500000000, 0.0003537800000000 ] - [ 0.0019220800000000, 0.0007138800000000, 0.0003583500000000 ] - [ -0.0000083300000000, 0.0001661000000000, -0.0001341300000000 ] - [ -0.0024701200000000, 0.0031561000000000, -0.0006092400000000 ] - [ -0.0027097500000000, 0.0034501500000000, -0.0001235800000000 ] - [ 0.0014518000000000, 0.0005811800000000, -0.0004891100000000 ] - [ 0.0021332900000000, 0.0009107400000000, 0.0006932300000000 ] - [ -0.0008550900000000, -0.0145087800000000, 0.0101615500000000 ] - [ -0.0000819900000000, -0.0001841100000000, -0.0005457700000000 ] - [ -0.0091180300000000, -0.0076095700000000, 0.0050554100000000 ] - [ -0.0002402100000000, -0.0001098100000000, -0.0003835700000000 ]- atom: 39 displacement: [ 0.0050000000037756, -0.0086602540356645, 0.0000000000000000 ] forces: - [ 0.0031126700000000, 0.0034086400000000, -0.0010373600000000 ] - [ 0.0000893200000000, 0.0000570300000000, 0.0000726500000000 ] - [ -0.0060388900000000, 0.0091335600000000, -0.0018462900000000 ] - [ -0.0001350300000000, 0.0001942500000000, 0.0000677400000000 ] - [ 0.1207362600000000, -0.0451079600000000, -0.0059599600000000 ] - [ 0.0001671300000000, -0.0002099600000000, 0.0001013000000000 ] - [ -0.0089181900000000, -0.0012603000000000, -0.0000030900000000 ] - [ -0.0001785800000000, -0.0000771600000000, 0.0000063300000000 ] - [ -0.0028400300000000, 0.0041374400000000, -0.0016630500000000 ] - [ -0.0002863500000000, 0.0001165100000000, 0.0004514100000000 ] - [ 0.0002734900000000, -0.0016280800000000, 0.0010808600000000 ] - [ 0.0003226900000000, -0.0003331000000000, -0.0002281100000000 ] - [ -0.0004517500000000, -0.0002811400000000, 0.0002183000000000 ] - [ -0.0001075100000000, -0.0000491800000000, 0.0001004300000000 ] - [ -0.0004309500000000, 0.0043183400000000, 0.0013507500000000 ] - [ 0.0002594200000000, 0.0001880600000000, -0.0003129500000000 ] - [ -0.0037719800000000, -0.0009400900000000, -0.0027586900000000 ] - [ -0.0004178200000000, -0.0001185800000000, 0.0003810900000000 ] - [ 0.0003114000000000, -0.0030760100000000, -0.0006305400000000 ] - [ 0.0002654900000000, -0.0006155400000000, 0.0001494100000000 ] - [ -0.0010077000000000, 0.0026601900000000, 0.0005933900000000 ] - [ -0.0003255800000000, 0.0007757000000000, -0.0002391600000000 ] - [ 0.0036143900000000, 0.0040537600000000, -0.0000568300000000 ] - [ 0.0004934700000000, 0.0002306400000000, -0.0000758700000000 ] - [ -0.0030520700000000, -0.0015421000000000, -0.0000323500000000 ] - [ -0.0005652600000000, -0.0001822200000000, -0.0000836000000000 ] - [ 0.0601297700000000, -0.0283580200000000, -0.0069622200000000 ] - [ 0.0000946600000000, -0.0004083000000000, -0.0000101600000000 ] - [ 0.0033976900000000, -0.0035471700000000, -0.0001973700000000 ] - [ -0.0004123000000000, 0.0000061600000000, 0.0000099700000000 ] - [ -0.0106073400000000, -0.0128662300000000, -0.0005059800000000 ] - [ 0.0002858700000000, 0.0003856400000000, 0.0000337700000000 ] - [ 0.0304751700000000, 0.0032949900000000, -0.0000688200000000 ] - [ 0.0002114700000000, 0.0000617100000000, -0.0000275700000000 ] - [ 0.0063616000000000, 0.0027075000000000, 0.0006721100000000 ] - [ 0.0000236900000000, -0.0000841900000000, -0.0000335400000000 ] - [ 0.0027807300000000, -0.0014876300000000, -0.0002563300000000 ] - [ 0.0000281100000000, 0.0001363500000000, -0.0000646300000000 ] - [ -0.2268631500000000, 0.1142273800000000, 0.0417937900000000 ] - [ -0.0005092600000000, 0.0000993700000000, -0.0000208400000000 ] - [ 0.0018392700000000, -0.0074649500000000, 0.0010445200000000 ] - [ 0.0002261200000000, 0.0001954500000000, -0.0000225400000000 ] - [ 0.0005386400000000, -0.0024308100000000, 0.0004628600000000 ] - [ 0.0001655300000000, -0.0003511100000000, -0.0000180300000000 ] - [ -0.0101330900000000, 0.0122311400000000, -0.0019747100000000 ] - [ 0.0000542100000000, 0.0006005100000000, -0.0001482000000000 ] - [ 0.0142680700000000, -0.0294617600000000, -0.0001593000000000 ] - [ 0.0004105200000000, -0.0004639600000000, -0.0000910500000000 ] - [ 0.0017934600000000, -0.0009259900000000, 0.0004984000000000 ] - [ -0.0002113900000000, -0.0001792400000000, -0.0003589100000000 ] - [ -0.0005198000000000, -0.0010222900000000, 0.0004152500000000 ] - [ 0.0000026200000000, -0.0005948400000000, 0.0000691100000000 ] - [ -0.0020657400000000, 0.0019497200000000, -0.0000684700000000 ] - [ -0.0011426200000000, 0.0006149500000000, -0.0001469300000000 ] - [ 0.0002137000000000, -0.0021110900000000, 0.0016150100000000 ] - [ 0.0005794100000000, 0.0000741400000000, -0.0002684100000000 ] - [ 0.0016768900000000, -0.0023099700000000, -0.0024205000000000 ] - [ 0.0001740900000000, -0.0002239600000000, 0.0003152800000000 ] - [ -0.0006370100000000, -0.0022215600000000, -0.0000259700000000 ] - [ -0.0001338900000000, -0.0003423900000000, 0.0000794500000000 ] - [ -0.0002996200000000, -0.0025360600000000, -0.0073065400000000 ] - [ -0.0005546100000000, 0.0003847600000000, 0.0002521200000000 ] - [ 0.0004927900000000, -0.0004577400000000, -0.0000261500000000 ] - [ -0.0001220600000000, -0.0001804700000000, 0.0000733200000000 ] - [ 0.0004750800000000, 0.0006554800000000, -0.0001102500000000 ] - [ 0.0001493500000000, 0.0004144800000000, -0.0000409800000000 ] - [ 0.0038578800000000, -0.0015950400000000, 0.0112317400000000 ] - [ 0.0003230900000000, -0.0001339400000000, -0.0004943900000000 ] - [ 0.0001490000000000, 0.0019936300000000, 0.0003164000000000 ] - [ 0.0001732900000000, 0.0006260300000000, -0.0001743400000000 ] - [ 0.0020993600000000, 0.0011897800000000, -0.0022112800000000 ] - [ 0.0004421300000000, -0.0001954800000000, 0.0001323100000000 ] - [ 0.0005787500000000, 0.0009625300000000, 0.0043972200000000 ] - [ -0.0001925700000000, 0.0000963700000000, -0.0007651600000000 ] - [ 0.0023525800000000, -0.0017896200000000, -0.0022306900000000 ] - [ 0.0004536800000000, -0.0007559200000000, 0.0005637500000000 ] - [ -0.0001939300000000, 0.0008210800000000, -0.0001279300000000 ] - [ -0.0005177900000000, 0.0002315200000000, 0.0001815700000000 ] - [ 0.0020054900000000, 0.0017155400000000, 0.0006234500000000 ] - [ 0.0006376300000000, 0.0005936300000000, -0.0001332800000000 ] - [ -0.0017436100000000, -0.0001459800000000, 0.0006266200000000 ] - [ -0.0000985100000000, -0.0000025000000000, -0.0000977000000000 ] - [ -0.0036926200000000, -0.0042597400000000, -0.0072856000000000 ] - [ -0.0005491300000000, -0.0003237700000000, 0.0003973200000000 ] - [ 0.0001513500000000, -0.0018992500000000, -0.0001431300000000 ] - [ -0.0001646800000000, -0.0001677300000000, 0.0002372600000000 ] - [ 0.0002188500000000, -0.0006094000000000, 0.0000116100000000 ] - [ -0.0001729500000000, -0.0001996400000000, -0.0001530300000000 ] - [ -0.0005367200000000, 0.0052414000000000, -0.0021756400000000 ] - [ -0.0000319900000000, 0.0012105200000000, 0.0002686100000000 ] - [ 0.0019296700000000, -0.0016629900000000, 0.0007785400000000 ] - [ 0.0005352100000000, -0.0004851700000000, -0.0003366600000000 ] - [ 0.0010844100000000, -0.0018152900000000, 0.0005460600000000 ] - [ 0.0002612300000000, -0.0001983200000000, -0.0002525400000000 ] - [ -0.0013312000000000, 0.0004265600000000, 0.0014508400000000 ] - [ -0.0000485700000000, -0.0002539000000000, -0.0004851200000000 ] - [ -0.0107646900000000, 0.0047455600000000, 0.0064085300000000 ] - [ -0.0001814300000000, -0.0000021300000000, -0.0001612800000000 ] - [ 0.0082361200000000, -0.0180872400000000, -0.0049355100000000 ] - [ 0.0002141200000000, -0.0003095300000000, 0.0001411000000000 ] - [ -0.0008666800000000, 0.0009679000000000, -0.0002301200000000 ] - [ -0.0002375800000000, 0.0001970300000000, 0.0000662100000000 ] - [ 0.0003447100000000, 0.0006933300000000, -0.0000704400000000 ] - [ 0.0008497100000000, 0.0002632900000000, 0.0006004500000000 ] - [ -0.0008536500000000, 0.0014835800000000, -0.0001770800000000 ] - [ -0.0013155600000000, 0.0022019900000000, 0.0002679000000000 ] - [ -0.0020637500000000, 0.0022879100000000, -0.0004843100000000 ] - [ -0.0001912000000000, 0.0002112200000000, 0.0000742100000000 ] - [ 0.0151136900000000, -0.0183841900000000, -0.0075474100000000 ] - [ 0.0000873600000000, -0.0002134600000000, -0.0003452700000000 ] - [ -0.0019388000000000, -0.0006568200000000, -0.0004049000000000 ] - [ 0.0000509300000000, -0.0000932700000000, 0.0001416100000000 ] - [ 0.0023785000000000, -0.0031597700000000, 0.0006070700000000 ] - [ 0.0026322200000000, -0.0034534600000000, 0.0001592400000000 ] - [ -0.0014474700000000, -0.0005850900000000, 0.0004943900000000 ] - [ -0.0021295400000000, -0.0009089900000000, -0.0006938700000000 ] - [ 0.0008142400000000, 0.0144556600000000, -0.0101025000000000 ] - [ 0.0000807900000000, 0.0001863900000000, 0.0005526700000000 ] - [ 0.0092118200000000, 0.0075725600000000, -0.0050919000000000 ] - [ 0.0002421400000000, 0.0001099200000000, 0.0003880500000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002459300000000, -0.0007909900000000, 0.0007303600000000 ] - [ -0.0001386300000000, -0.0000034900000000, -0.0008825600000000 ] - [ 0.0002438800000000, -0.0008380100000000, 0.0007397100000000 ] - [ 0.0001138200000000, -0.0000425400000000, -0.0008823100000000 ] - [ 0.0009635000000000, 0.0068265300000000, 0.0492825100000000 ] - [ 0.0000213500000000, 0.0001099800000000, -0.0010408200000000 ] - [ 0.0000214200000000, 0.0002318300000000, 0.0000146500000000 ] - [ 0.0000018900000000, -0.0000554600000000, -0.0007947900000000 ] - [ -0.0048743500000000, 0.0087838400000000, 0.0017541100000000 ] - [ 0.0009238300000000, -0.0007258800000000, -0.0008811000000000 ] - [ 0.0042505600000000, -0.0002247600000000, 0.0016078000000000 ] - [ -0.0008597100000000, -0.0001246000000000, -0.0006745100000000 ] - [ -0.0004285700000000, -0.0009004100000000, 0.0003257900000000 ] - [ 0.0003012500000000, 0.0004710400000000, -0.0007055900000000 ] - [ 0.0042327000000000, -0.0071687000000000, 0.0011268600000000 ] - [ -0.0003543900000000, 0.0009275900000000, -0.0007412100000000 ] - [ -0.0042406400000000, -0.0001746400000000, 0.0015841500000000 ] - [ 0.0008427700000000, -0.0000866300000000, -0.0006724200000000 ] - [ 0.0048184400000000, 0.0086745200000000, 0.0017212500000000 ] - [ -0.0009570700000000, -0.0007713400000000, -0.0008811600000000 ] - [ 0.0004671000000000, -0.0009019800000000, 0.0003184700000000 ] - [ -0.0002621500000000, 0.0004709100000000, -0.0007058200000000 ] - [ -0.0041859200000000, -0.0071258100000000, 0.0010989500000000 ] - [ 0.0003625900000000, 0.0009311100000000, -0.0007402300000000 ] - [ -0.0003436300000000, -0.0004736600000000, -0.0018545000000000 ] - [ -0.0004906000000000, 0.0001249900000000, 0.0010261500000000 ] - [ -0.0059700800000000, 0.0041368900000000, -0.0150874100000000 ] - [ -0.0001033600000000, -0.0006026300000000, 0.0012739000000000 ] - [ -0.0006626300000000, -0.0001886500000000, -0.0017145900000000 ] - [ -0.0005037100000000, 0.0004073900000000, 0.0011693700000000 ] - [ 0.0008229900000000, 0.0025344400000000, -0.0050631400000000 ] - [ 0.0005813100000000, 0.0001481400000000, 0.0013315300000000 ] - [ 0.0000725200000000, -0.0002236900000000, -0.0063886600000000 ] - [ 0.0001383300000000, 0.0001654000000000, 0.0012196200000000 ] - [ -0.0007459900000000, -0.0001288600000000, -0.0011780000000000 ] - [ 0.0000356500000000, -0.0001753900000000, 0.0009872700000000 ] - [ 0.0006125000000000, 0.0001237400000000, -0.0011829200000000 ] - [ -0.0001783400000000, 0.0000675900000000, 0.0009879900000000 ] - [ -0.0026710400000000, -0.0474156900000000, -0.1126032200000000 ] - [ -0.0003726500000000, 0.0000231900000000, 0.0013086100000000 ] - [ -0.0002690200000000, 0.0012596300000000, -0.0012993900000000 ] - [ 0.0002061400000000, 0.0003126800000000, 0.0009751800000000 ] - [ 0.0006515000000000, 0.0006159600000000, -0.0013008600000000 ] - [ 0.0001705600000000, -0.0003365900000000, 0.0009751500000000 ] - [ 0.0064909300000000, 0.0052637900000000, -0.0150801900000000 ] - [ 0.0003562200000000, 0.0004049900000000, 0.0011304400000000 ] - [ -0.0001414700000000, 0.0019183400000000, -0.0052033900000000 ] - [ 0.0001634900000000, -0.0005741200000000, 0.0011887400000000 ] - [ 0.0027899700000000, -0.0012931600000000, -0.0013470100000000 ] - [ -0.0010166600000000, 0.0002117800000000, 0.0007583700000000 ] - [ 0.0001872000000000, -0.0003636900000000, -0.0002011300000000 ] - [ -0.0000447300000000, -0.0006838400000000, 0.0010101300000000 ] - [ -0.0056859300000000, -0.0018177700000000, 0.0024286000000000 ] - [ 0.0005056900000000, 0.0004243900000000, 0.0018036300000000 ] - [ -0.0003520900000000, -0.0028047900000000, -0.0003086000000000 ] - [ 0.0001770600000000, 0.0007948500000000, 0.0011824600000000 ] - [ -0.0025808100000000, 0.0006533500000000, -0.0003991400000000 ] - [ 0.0004583900000000, -0.0001294300000000, 0.0007799100000000 ] - [ 0.0004812400000000, 0.0025783100000000, -0.0008769200000000 ] - [ -0.0000056700000000, -0.0005938800000000, 0.0007778500000000 ] - [ -0.0040286100000000, 0.0109484600000000, 0.0101377200000000 ] - [ 0.0001808100000000, -0.0006687700000000, 0.0016460200000000 ] - [ -0.0003630200000000, 0.0000056100000000, -0.0004107100000000 ] - [ -0.0006315000000000, 0.0000397700000000, 0.0007470500000000 ] - [ -0.0005861600000000, -0.0002208100000000, -0.0009382500000000 ] - [ 0.0005382800000000, 0.0005076000000000, 0.0007325100000000 ] - [ 0.0115284300000000, -0.0094407700000000, 0.0164218300000000 ] - [ -0.0002848000000000, 0.0002463900000000, 0.0020331800000000 ] - [ 0.0018164200000000, 0.0016734800000000, -0.0002579500000000 ] - [ -0.0001341700000000, 0.0000694400000000, 0.0012136900000000 ] - [ -0.0005563700000000, 0.0004122900000000, -0.0008602100000000 ] - [ 0.0004520400000000, -0.0005970500000000, 0.0007376300000000 ] - [ 0.0046291300000000, -0.0020352500000000, 0.0022449500000000 ] - [ -0.0015069400000000, 0.0001791800000000, 0.0016623800000000 ] - [ -0.0015232700000000, 0.0006753100000000, -0.0001036800000000 ] - [ 0.0004245900000000, -0.0009242900000000, 0.0013607800000000 ] - [ -0.0037585200000000, -0.0010356100000000, -0.0011828700000000 ] - [ 0.0000222100000000, 0.0004601500000000, 0.0009001000000000 ] - [ 0.0012730000000000, 0.0011394000000000, -0.0006934700000000 ] - [ 0.0002625700000000, 0.0001455600000000, 0.0008781800000000 ] - [ 0.0028940800000000, 0.0006750100000000, -0.0003777500000000 ] - [ -0.0001232200000000, -0.0001140400000000, 0.0007789100000000 ] - [ 0.0038260400000000, 0.0104741900000000, 0.0099652900000000 ] - [ -0.0003437500000000, -0.0009771300000000, 0.0016497200000000 ] - [ -0.0006668800000000, 0.0028470800000000, -0.0008609300000000 ] - [ -0.0001831500000000, -0.0003076800000000, 0.0007773300000000 ] - [ -0.0004469300000000, 0.0000181600000000, -0.0004012100000000 ] - [ -0.0001777800000000, 0.0000498500000000, 0.0007455000000000 ] - [ -0.0109032600000000, -0.0086067600000000, 0.0161143200000000 ] - [ 0.0007063600000000, 0.0009553400000000, 0.0020383700000000 ] - [ 0.0009820600000000, -0.0009315200000000, -0.0009259700000000 ] - [ -0.0001383300000000, -0.0002040300000000, 0.0007291100000000 ] - [ 0.0001019100000000, 0.0006240300000000, -0.0003375500000000 ] - [ 0.0003304800000000, 0.0003023800000000, 0.0008643200000000 ] - [ 0.0010497500000000, -0.0035183300000000, -0.0004400900000000 ] - [ 0.0005381500000000, 0.0000597000000000, 0.0010388900000000 ] - [ 0.0011308200000000, 0.0000687900000000, 0.0020207400000000 ] - [ 0.0000509600000000, -0.0000390300000000, -0.0021481300000000 ] - [ 0.0052159500000000, 0.0067233900000000, 0.0258727400000000 ] - [ 0.0000835100000000, 0.0002812000000000, -0.0029914500000000 ] - [ 0.0004742400000000, -0.0001361800000000, 0.0035852300000000 ] - [ -0.0000770900000000, -0.0000727500000000, -0.0021022100000000 ] - [ -0.0004616500000000, 0.0004025800000000, -0.0013488300000000 ] - [ -0.0005233500000000, -0.0003796800000000, -0.0008338700000000 ] - [ 0.0005593900000000, -0.0003061400000000, -0.0008440400000000 ] - [ 0.0005039700000000, 0.0004787700000000, -0.0013400100000000 ] - [ -0.0005678500000000, -0.0001440800000000, 0.0036162000000000 ] - [ -0.0000077700000000, -0.0000754600000000, -0.0021074000000000 ] - [ -0.0041281300000000, 0.0059084100000000, 0.0250831200000000 ] - [ -0.0000427100000000, 0.0002083400000000, -0.0029923600000000 ] - [ -0.0011269700000000, 0.0001112900000000, 0.0019510900000000 ] - [ -0.0000063400000000, 0.0000325500000000, -0.0021440200000000 ] - [ -0.0022047500000000, 0.0005743300000000, -0.0067520700000000 ] - [ 0.0021393400000000, 0.0005774800000000, -0.0067785000000000 ] - [ 0.0018664300000000, -0.0006342300000000, -0.0014362800000000 ] - [ -0.0018849900000000, -0.0006431100000000, -0.0014253800000000 ] - [ -0.0030175000000000, 0.0064516100000000, 0.0047745500000000 ] - [ 0.0001839400000000, -0.0003085300000000, -0.0030344000000000 ] - [ 0.0030414700000000, 0.0064436800000000, 0.0048532600000000 ] - [ -0.0001815900000000, -0.0003057200000000, -0.0030330300000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0070263700000000, 0.0013975500000000, 0.0001805000000000 ] - [ 0.0005811400000000, 0.0000689200000000, -0.0000944800000000 ] - [ -0.0066864800000000, 0.0008778100000000, -0.0037078000000000 ] - [ -0.0006957400000000, 0.0000135700000000, 0.0002445300000000 ] - [ 0.0164371200000000, -0.0279228000000000, -0.0053262300000000 ] - [ 0.0000363000000000, -0.0004283500000000, 0.0002712700000000 ] - [ 0.0176378800000000, 0.0279247600000000, 0.0025190800000000 ] - [ -0.0000306300000000, 0.0003258900000000, -0.0001853900000000 ] - [ 0.0009217900000000, 0.0001380200000000, -0.0002170800000000 ] - [ 0.0002625500000000, 0.0000422400000000, 0.0000293800000000 ] - [ -0.0058928600000000, -0.0009792500000000, 0.0031024300000000 ] - [ -0.0005344100000000, -0.0000110900000000, -0.0000059300000000 ] - [ 0.0285251200000000, -0.0071639000000000, -0.0062116800000000 ] - [ -0.0000410700000000, -0.0003906400000000, 0.0003939400000000 ] - [ 0.0307827600000000, 0.0074690300000000, 0.0066029200000000 ] - [ 0.0000649300000000, 0.0003982600000000, -0.0003422400000000 ] - [ -0.0075062800000000, -0.0004855600000000, -0.0036491400000000 ] - [ -0.0043007700000000, -0.0008017000000000, 0.0011583900000000 ] - [ 0.0047617300000000, -0.0006573800000000, 0.0005817400000000 ] - [ 0.0037809500000000, -0.0002733700000000, -0.0009743600000000 ] - [ 0.0003508900000000, 0.0022405600000000, -0.0001064600000000 ] - [ 0.0008072400000000, 0.0032375200000000, 0.0002221900000000 ] - [ 0.0001887200000000, -0.0018370400000000, -0.0000819100000000 ] - [ 0.0005252900000000, -0.0026816400000000, -0.0001822600000000 ] - [ -0.0050389600000000, 0.0038808900000000, -0.0015848400000000 ] - [ -0.0008766000000000, 0.0000154300000000, 0.0004547400000000 ] - [ 0.0398568900000000, -0.0112500500000000, -0.0180972400000000 ] - [ 0.0003820400000000, -0.0004041600000000, -0.0002275800000000 ] - [ 0.0022388200000000, -0.0039833600000000, 0.0024361700000000 ] - [ -0.0003540300000000, -0.0000491200000000, -0.0004252300000000 ] - [ -0.0056261300000000, -0.0013075400000000, -0.0002302300000000 ] - [ -0.0000989600000000, 0.0002893900000000, 0.0000223700000000 ] - [ -0.0127151200000000, -0.0039457400000000, -0.0011004500000000 ] - [ -0.0000262600000000, -0.0001279100000000, 0.0000768300000000 ] - [ 0.0223656000000000, -0.0002253600000000, 0.0069780700000000 ] - [ 0.0001545200000000, -0.0002221500000000, 0.0002659800000000 ] - [ 0.0028541600000000, -0.0119991300000000, 0.0006317200000000 ] - [ -0.0000529400000000, -0.0001101700000000, 0.0000316000000000 ] - [ -0.0130859800000000, 0.0051126600000000, 0.0011470600000000 ] - [ -0.0005482800000000, 0.0001360400000000, 0.0000280300000000 ] - [ 0.0199334100000000, 0.0019763800000000, 0.0032071800000000 ] - [ 0.0005867500000000, 0.0004213600000000, 0.0001812300000000 ] - [ -0.0010609000000000, -0.0007366400000000, 0.0003784000000000 ] - [ -0.0000794300000000, -0.0002955800000000, 0.0000467200000000 ] - [ 0.0022768000000000, 0.0134570100000000, -0.0002894900000000 ] - [ 0.0002826700000000, 0.0007875300000000, 0.0001365800000000 ] - [ 0.0001272700000000, 0.0004212100000000, -0.0002511400000000 ] - [ 0.0005977400000000, -0.0004129900000000, 0.0000640400000000 ] - [ -0.0013142800000000, -0.0021977100000000, 0.0004403600000000 ] - [ -0.0006216500000000, -0.0003584700000000, -0.0002931400000000 ] - [ -0.0083410600000000, 0.0071249000000000, 0.0008851500000000 ] - [ -0.0000517400000000, -0.0002509500000000, 0.0001807400000000 ] - [ 0.0024925000000000, 0.0020959800000000, -0.0015855100000000 ] - [ -0.0002381800000000, 0.0005284400000000, 0.0005782700000000 ] - [ 0.0044296900000000, 0.0013616400000000, 0.0002938600000000 ] - [ 0.0004169700000000, 0.0003457900000000, 0.0001673700000000 ] - [ 0.0244504200000000, 0.0045667700000000, 0.0050490200000000 ] - [ 0.0005093400000000, -0.0001185600000000, 0.0001777500000000 ] - [ -0.0087790100000000, -0.0081041100000000, -0.0004269500000000 ] - [ -0.0002157600000000, -0.0003777200000000, 0.0000386400000000 ] - [ -0.0101707200000000, 0.0056000300000000, -0.0019548900000000 ] - [ -0.0004955400000000, 0.0000192700000000, 0.0005242100000000 ] - [ 0.0216821200000000, -0.0032600500000000, -0.0041753100000000 ] - [ -0.0001483800000000, 0.0000692400000000, -0.0000636000000000 ] - [ -0.0001674600000000, -0.0013312500000000, 0.0006398700000000 ] - [ 0.0003297900000000, 0.0003505100000000, 0.0000114200000000 ] - [ -0.0027812200000000, 0.0009046200000000, -0.0001392600000000 ] - [ -0.0000486300000000, -0.0002833500000000, 0.0000813500000000 ] - [ -0.0102820000000000, -0.0037538800000000, 0.0017596900000000 ] - [ -0.0001061100000000, 0.0005225400000000, -0.0005709900000000 ] - [ 0.0196823200000000, 0.0027880800000000, -0.0050186400000000 ] - [ 0.0007716800000000, -0.0003680700000000, -0.0001691300000000 ] - [ 0.0005246600000000, 0.0009002100000000, 0.0058380300000000 ] - [ 0.0011424200000000, 0.0011198400000000, -0.0029173900000000 ] - [ 0.0000043200000000, -0.0019476500000000, -0.0009265400000000 ] - [ -0.0001082900000000, -0.0022724100000000, 0.0007607400000000 ] - [ -0.0048074500000000, 0.0006241400000000, -0.0044581800000000 ] - [ -0.0021611500000000, -0.0000364400000000, 0.0025251000000000 ] - [ 0.0041165300000000, 0.0007136200000000, -0.0008862600000000 ] - [ 0.0016548700000000, 0.0005650500000000, 0.0013016200000000 ] - [ 0.0003191100000000, 0.0007222000000000, 0.0004961100000000 ] - [ -0.0005970700000000, 0.0007688300000000, 0.0007002300000000 ] - [ -0.0004107700000000, 0.0009178000000000, 0.0007200600000000 ] - [ -0.0000203300000000, 0.0011566900000000, -0.0003391600000000 ] - [ 0.0002270400000000, 0.0012150400000000, -0.0005973100000000 ] - [ -0.0002350300000000, 0.0024658900000000, 0.0028304000000000 ] - [ -0.0004550600000000, -0.0009779800000000, -0.0005407000000000 ] - [ -0.0014171100000000, -0.0009556000000000, -0.0004818100000000 ] - [ -0.0023326400000000, -0.0001936600000000, 0.0001418100000000 ] - [ -0.0014814300000000, 0.0001594700000000, -0.0005716600000000 ] - [ 0.0041457200000000, -0.0007289500000000, -0.0015887000000000 ] - [ 0.0045236400000000, -0.0010875700000000, 0.0005863300000000 ] - [ 0.0012347300000000, -0.0010196800000000, 0.0009421000000000 ] - [ -0.0004533900000000, -0.0029523200000000, -0.0039177800000000 ] - [ -0.0026906000000000, 0.0003808500000000, 0.0010301700000000 ] - [ -0.0019503000000000, 0.0001051600000000, -0.0003077600000000 ] - [ -0.1862858100000000, 0.0045980000000000, 0.0123862700000000 ] - [ -0.0005305900000000, -0.0000662700000000, -0.0001615000000000 ] - [ 0.0159179800000000, -0.0003789200000000, 0.0000463300000000 ] - [ 0.0005963300000000, -0.0000028300000000, -0.0001481000000000 ] - [ 0.0003056000000000, -0.0150175200000000, 0.0195309600000000 ] - [ -0.0010619600000000, 0.0002865400000000, -0.0020715500000000 ] - [ 0.0000789700000000, 0.0002195500000000, -0.0001929200000000 ] - [ 0.0064543100000000, 0.0004015800000000, 0.0000813800000000 ] - [ -0.0008612500000000, -0.0001682200000000, 0.0000311600000000 ] - [ -0.0244593500000000, 0.0007514600000000, 0.0005899400000000 ] - [ 0.0020175700000000, 0.0083953000000000, -0.0031968200000000 ] - [ 0.0000543900000000, 0.0003149100000000, -0.0000106300000000 ] - [ 0.0064552000000000, 0.0000197400000000, 0.0002181700000000 ] - [ 0.0000798300000000, -0.0001095300000000, -0.0001557400000000 ] - [ -0.0064735800000000, 0.0002729700000000, 0.0005916600000000 ] - [ 0.0005453000000000, 0.0002646700000000, -0.0003014400000000 ] - [ 0.0017855200000000, -0.0009778900000000, -0.0014843900000000 ] - [ 0.0024653200000000, -0.0054451900000000, 0.0042747600000000 ] - [ -0.0002907900000000, 0.0010663300000000, 0.0025339300000000 ] - [ 0.0021240700000000, 0.0094721400000000, -0.0093785700000000 ] - [ 0.0098694700000000, 0.0104582800000000, -0.0137922800000000 ] - [ 0.0009176100000000, -0.0000293500000000, 0.0024521000000000 ] - [ 0.0014422700000000, -0.0114117700000000, 0.0036779000000000 ] - [ -0.0000174900000000, -0.0003596000000000, -0.0003922600000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0070731600000000, -0.0013444400000000, -0.0001775500000000 ] - [ -0.0006039900000000, -0.0000320300000000, 0.0000967000000000 ] - [ 0.0065431200000000, -0.0010151800000000, 0.0037134400000000 ] - [ 0.0006689100000000, -0.0000623700000000, -0.0002443900000000 ] - [ -0.0162723000000000, 0.0278539100000000, 0.0051923800000000 ] - [ 0.0000045900000000, 0.0004258200000000, -0.0002724700000000 ] - [ -0.0177031100000000, -0.0279901900000000, -0.0026395900000000 ] - [ 0.0000386200000000, -0.0003175700000000, 0.0001847500000000 ] - [ -0.0009506400000000, -0.0001195200000000, 0.0002164700000000 ] - [ -0.0002927000000000, -0.0000084700000000, -0.0000275700000000 ] - [ 0.0057498000000000, 0.0009996200000000, -0.0031170400000000 ] - [ 0.0005034400000000, -0.0000338800000000, 0.0000067700000000 ] - [ -0.0285616300000000, 0.0073472000000000, 0.0063921100000000 ] - [ 0.0000815700000000, 0.0003926400000000, -0.0003936300000000 ] - [ -0.0307092500000000, -0.0072805400000000, -0.0064299100000000 ] - [ -0.0000665900000000, -0.0003853200000000, 0.0003416100000000 ] - [ 0.0074777000000000, 0.0005305400000000, 0.0036531400000000 ] - [ 0.0042641300000000, 0.0008268500000000, -0.0011820000000000 ] - [ -0.0047836200000000, 0.0006045600000000, -0.0005858600000000 ] - [ -0.0038015000000000, 0.0002260000000000, 0.0009868600000000 ] - [ -0.0003081500000000, -0.0022535500000000, 0.0001044300000000 ] - [ -0.0007601200000000, -0.0032480800000000, -0.0002234700000000 ] - [ -0.0001686600000000, 0.0018379700000000, 0.0000805500000000 ] - [ -0.0005157400000000, 0.0026851200000000, 0.0001829600000000 ] - [ 0.0040590200000000, -0.0041890200000000, 0.0014502100000000 ] - [ -0.0001092900000000, -0.0002966200000000, -0.0005993800000000 ] - [ -0.0373636200000000, 0.0090912000000000, 0.0163023200000000 ] - [ -0.0001318300000000, -0.0005931200000000, 0.0003709100000000 ] - [ -0.0031755100000000, 0.0042509600000000, -0.0022798700000000 ] - [ -0.0006308600000000, 0.0003317500000000, 0.0005698000000000 ] - [ 0.0063647400000000, 0.0020133400000000, 0.0003872500000000 ] - [ 0.0008376500000000, 0.0004246500000000, 0.0001200900000000 ] - [ 0.0129575500000000, 0.0039495100000000, 0.0011392800000000 ] - [ 0.0002850900000000, 0.0001258100000000, -0.0000770400000000 ] - [ -0.0239325000000000, -0.0007924700000000, -0.0083355300000000 ] - [ -0.0002956100000000, -0.0000167000000000, -0.0002651500000000 ] - [ -0.0029916000000000, 0.0122403200000000, -0.0006411600000000 ] - [ -0.0000812600000000, 0.0003309700000000, -0.0000282100000000 ] - [ 0.0123701000000000, -0.0051193100000000, -0.0011089800000000 ] - [ -0.0001859000000000, -0.0001333000000000, -0.0000297000000000 ] - [ -0.0194954900000000, -0.0015342900000000, -0.0030582900000000 ] - [ -0.0002121200000000, 0.0002274200000000, -0.0001802500000000 ] - [ 0.0014402800000000, 0.0000885200000000, -0.0003850800000000 ] - [ 0.0004490000000000, -0.0003409900000000, -0.0000472400000000 ] - [ -0.0020257000000000, -0.0124143600000000, 0.0001439500000000 ] - [ -0.0000314400000000, 0.0002124400000000, -0.0002792500000000 ] - [ 0.0006094000000000, -0.0010774000000000, 0.0001072400000000 ] - [ 0.0001403800000000, -0.0002967900000000, -0.0002078300000000 ] - [ 0.0003248700000000, 0.0019564800000000, -0.0005876800000000 ] - [ -0.0003637900000000, 0.0001132800000000, 0.0001480100000000 ] - [ 0.0085944300000000, -0.0081090800000000, -0.0007612500000000 ] - [ 0.0003322000000000, -0.0007275200000000, -0.0000357600000000 ] - [ -0.0034311200000000, -0.0018385100000000, 0.0017240300000000 ] - [ -0.0007447300000000, -0.0002821300000000, -0.0004321300000000 ] - [ -0.0037255800000000, -0.0006257200000000, -0.0001441000000000 ] - [ 0.0002895400000000, 0.0003886300000000, -0.0000238300000000 ] - [ -0.0230640900000000, -0.0038721200000000, -0.0040247200000000 ] - [ -0.0001836300000000, 0.0000980100000000, -0.0001787200000000 ] - [ 0.0086189700000000, 0.0078160600000000, 0.0004040300000000 ] - [ 0.0000326500000000, 0.0000930100000000, -0.0000385300000000 ] - [ 0.0100145400000000, -0.0053398000000000, 0.0019253200000000 ] - [ 0.0003485900000000, 0.0002612200000000, -0.0005232100000000 ] - [ -0.0235076000000000, 0.0039395700000000, 0.0051675800000000 ] - [ -0.0006541200000000, -0.0000777100000000, 0.0000615900000000 ] - [ 0.0005688100000000, 0.0019903500000000, -0.0006440100000000 ] - [ 0.0000707800000000, 0.0003614500000000, -0.0000111600000000 ] - [ 0.0031901800000000, -0.0015721300000000, 0.0001385200000000 ] - [ 0.0004611100000000, -0.0004055000000000, -0.0000822900000000 ] - [ 0.0105877500000000, 0.0047215100000000, -0.0019422400000000 ] - [ 0.0003873200000000, 0.0004625400000000, 0.0004263500000000 ] - [ -0.0188728200000000, -0.0031738400000000, 0.0046682000000000 ] - [ -0.0000597700000000, -0.0003656300000000, 0.0000244300000000 ] - [ -0.0015094900000000, -0.0011403500000000, -0.0059796100000000 ] - [ -0.0021142100000000, -0.0013609100000000, 0.0027666600000000 ] - [ 0.0002751500000000, 0.0009715900000000, 0.0010716000000000 ] - [ 0.0003853500000000, 0.0012945600000000, -0.0006159100000000 ] - [ 0.0038122300000000, -0.0003695400000000, 0.0046043400000000 ] - [ 0.0011629400000000, 0.0002857900000000, -0.0023867300000000 ] - [ -0.0034086500000000, 0.0000174100000000, 0.0010345900000000 ] - [ -0.0009445400000000, 0.0001684400000000, -0.0011365900000000 ] - [ -0.0000033700000000, -0.0007072900000000, -0.0004890000000000 ] - [ 0.0009185800000000, -0.0007563200000000, -0.0006982900000000 ] - [ 0.0002521100000000, -0.0012140600000000, -0.0007188200000000 ] - [ -0.0001343800000000, -0.0014532400000000, 0.0003396700000000 ] - [ -0.0004178200000000, -0.0009400400000000, 0.0005912700000000 ] - [ 0.0000542700000000, -0.0021951200000000, -0.0028262300000000 ] - [ -0.0003454500000000, 0.0009904300000000, 0.0005420200000000 ] - [ 0.0006123700000000, 0.0009651800000000, 0.0004836000000000 ] - [ 0.0027491600000000, 0.0008977200000000, -0.0001382600000000 ] - [ 0.0018973500000000, 0.0005468500000000, 0.0005640500000000 ] - [ -0.0037548600000000, 0.0000196700000000, 0.0015807200000000 ] - [ -0.0041327400000000, 0.0004004500000000, -0.0005886300000000 ] - [ -0.0009454800000000, 0.0020019800000000, -0.0010894300000000 ] - [ 0.0007343800000000, 0.0039367700000000, 0.0037770400000000 ] - [ 0.0033920600000000, -0.0011091100000000, -0.0011680800000000 ] - [ 0.0026565600000000, -0.0008386500000000, 0.0001562800000000 ] - [ 0.1852794300000000, -0.0044193300000000, -0.0109419300000000 ] - [ 0.0005754100000000, -0.0000059200000000, 0.0001580500000000 ] - [ -0.0158824500000000, 0.0004172500000000, -0.0000796800000000 ] - [ -0.0005544100000000, 0.0000762300000000, 0.0001450200000000 ] - [ -0.0003091600000000, 0.0150781800000000, -0.0196185600000000 ] - [ 0.0009820000000000, -0.0002828700000000, 0.0020733600000000 ] - [ -0.0000388800000000, -0.0002873300000000, 0.0001882400000000 ] - [ -0.0064165800000000, -0.0004531300000000, -0.0000860300000000 ] - [ 0.0009014800000000, 0.0002390500000000, -0.0000243400000000 ] - [ 0.0245008200000000, -0.0007216700000000, -0.0006425500000000 ] - [ -0.0020920500000000, -0.0083876900000000, 0.0032104600000000 ] - [ -0.0001398100000000, -0.0003162900000000, 0.0000061900000000 ] - [ -0.0064155900000000, -0.0001157500000000, -0.0002160900000000 ] - [ -0.0000379100000000, 0.0000301900000000, 0.0001617100000000 ] - [ 0.0065105400000000, -0.0001937700000000, -0.0005949200000000 ] - [ -0.0005036100000000, -0.0001849200000000, 0.0002992300000000 ] - [ -0.0018673500000000, 0.0009750900000000, 0.0014822300000000 ] - [ -0.0025509100000000, 0.0054144000000000, -0.0042425300000000 ] - [ 0.0002944000000000, -0.0010660000000000, -0.0025348100000000 ] - [ -0.0020734500000000, -0.0095168800000000, 0.0094228300000000 ] - [ -0.0098577500000000, -0.0104347800000000, 0.0137113400000000 ] - [ -0.0009230000000000, 0.0000322400000000, -0.0024514300000000 ] - [ -0.0014168000000000, 0.0114170200000000, -0.0036783500000000 ] - [ 0.0000184400000000, 0.0003604300000000, 0.0003911600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0016923300000000, -0.0005342400000000, -0.0031807500000000 ] - [ -0.0000236600000000, 0.0001353200000000, 0.0017650200000000 ] - [ -0.0121496400000000, -0.0195570000000000, -0.0035612700000000 ] - [ -0.0000199700000000, 0.0006059700000000, 0.0020272100000000 ] - [ -0.0087639800000000, 0.0177311500000000, -0.0004922900000000 ] - [ 0.0003707900000000, -0.0006093200000000, 0.0022639600000000 ] - [ 0.0113848000000000, 0.0213868200000000, -0.0039304300000000 ] - [ -0.0004758800000000, -0.0003659200000000, 0.0018830600000000 ] - [ 0.0003619400000000, 0.0017703900000000, -0.0031890100000000 ] - [ 0.0000816400000000, -0.0000521100000000, 0.0017666000000000 ] - [ 0.0109003900000000, -0.0165130600000000, -0.0004846500000000 ] - [ -0.0003634100000000, 0.0005804800000000, 0.0022637300000000 ] - [ -0.0229542400000000, -0.0007192100000000, -0.0035481800000000 ] - [ 0.0005530600000000, -0.0003188900000000, 0.0020284900000000 ] - [ 0.0241881900000000, -0.0007978400000000, -0.0039223700000000 ] - [ -0.0005539400000000, -0.0002218000000000, 0.0018836400000000 ] - [ -0.0022281500000000, 0.0039547500000000, 0.0066310800000000 ] - [ 0.0023112300000000, -0.0039315300000000, 0.0066713400000000 ] - [ 0.0019605900000000, -0.0003738500000000, 0.0005661800000000 ] - [ -0.0017323800000000, -0.0001444600000000, 0.0008856300000000 ] - [ -0.0009424000000000, -0.0014315700000000, 0.0008896700000000 ] - [ 0.0007083000000000, 0.0018806400000000, 0.0005613500000000 ] - [ 0.0014770600000000, -0.0014486700000000, 0.0008452000000000 ] - [ -0.0005202700000000, 0.0020065100000000, 0.0008412700000000 ] - [ -0.0055213100000000, 0.0034425400000000, 0.0044670000000000 ] - [ -0.0001849400000000, -0.0007892700000000, -0.0025999600000000 ] - [ -0.0203428400000000, 0.0074498600000000, 0.0307945400000000 ] - [ 0.0005202500000000, -0.0001679000000000, -0.0030157500000000 ] - [ 0.0078302100000000, 0.0041036600000000, 0.0060821400000000 ] - [ -0.0007196700000000, -0.0005612200000000, -0.0025872300000000 ] - [ 0.0015353600000000, 0.0004219700000000, 0.0044197800000000 ] - [ -0.0001588000000000, 0.0007612300000000, -0.0023656800000000 ] - [ -0.0082637300000000, -0.0029875900000000, 0.0027099200000000 ] - [ 0.0003965300000000, -0.0002294700000000, -0.0021104800000000 ] - [ 0.0078450200000000, -0.0019672200000000, 0.0260557800000000 ] - [ 0.0000039700000000, 0.0003857700000000, -0.0029356800000000 ] - [ 0.0012689200000000, -0.0087821500000000, 0.0048847900000000 ] - [ 0.0003480900000000, 0.0005324500000000, -0.0024608200000000 ] - [ 0.0064529600000000, -0.0035016000000000, 0.0019936100000000 ] - [ -0.0006720500000000, 0.0000156600000000, -0.0021459600000000 ] - [ 0.0050326600000000, -0.0041528300000000, 0.0250581000000000 ] - [ 0.0000473400000000, -0.0001613900000000, -0.0029942400000000 ] - [ -0.0000505600000000, -0.0007312300000000, 0.0035975100000000 ] - [ 0.0002495000000000, -0.0002722100000000, -0.0021041800000000 ] - [ 0.0005127500000000, -0.0081412800000000, 0.0034496000000000 ] - [ -0.0005857200000000, 0.0010192500000000, -0.0026631700000000 ] - [ -0.0014859600000000, 0.0087597100000000, 0.0017845100000000 ] - [ 0.0008717300000000, -0.0003599000000000, -0.0023537300000000 ] - [ 0.0001358500000000, 0.0008564400000000, 0.0042816200000000 ] - [ -0.0004151400000000, -0.0007821100000000, -0.0025101500000000 ] - [ 0.0071019000000000, -0.0066537300000000, 0.0019122800000000 ] - [ 0.0003946800000000, -0.0000617500000000, -0.0022122500000000 ] - [ -0.0077855200000000, 0.0047897500000000, 0.0036037700000000 ] - [ -0.0004091900000000, -0.0007493800000000, -0.0025195000000000 ] - [ 0.0009470100000000, -0.0057855900000000, 0.0046202700000000 ] - [ -0.0000502100000000, 0.0009633300000000, -0.0024576700000000 ] - [ 0.0035394800000000, 0.0084748300000000, 0.0269626800000000 ] - [ 0.0006418500000000, -0.0002006700000000, -0.0029331900000000 ] - [ -0.0068700900000000, -0.0059179400000000, 0.0026920000000000 ] - [ -0.0001636200000000, 0.0001917900000000, -0.0021127700000000 ] - [ -0.0071212800000000, 0.0057448000000000, 0.0048963500000000 ] - [ 0.0004909200000000, 0.0002988600000000, -0.0024618200000000 ] - [ -0.0027907100000000, 0.0070774700000000, 0.0258988700000000 ] - [ -0.0008914500000000, 0.0001151900000000, -0.0029901500000000 ] - [ 0.0005860000000000, 0.0079907600000000, 0.0019789600000000 ] - [ 0.0000644900000000, 0.0000940000000000, -0.0021463400000000 ] - [ -0.0002675600000000, -0.0003486400000000, 0.0036053200000000 ] - [ 0.0002814800000000, -0.0003175300000000, -0.0021062000000000 ] - [ 0.0077457300000000, 0.0057279600000000, 0.0059484700000000 ] - [ -0.0005750100000000, 0.0006553100000000, -0.0027317500000000 ] - [ -0.0031561200000000, -0.0234300500000000, 0.0313544500000000 ] - [ 0.0008444600000000, -0.0001932600000000, -0.0031563600000000 ] - [ 0.0019889700000000, -0.0014082600000000, -0.0037244500000000 ] - [ -0.0032797900000000, 0.0007173900000000, -0.0031925700000000 ] - [ 0.0004371000000000, -0.0001618700000000, -0.0013165000000000 ] - [ 0.0011405600000000, -0.0002603900000000, -0.0012232600000000 ] - [ -0.0035529200000000, 0.0000726800000000, -0.0032592000000000 ] - [ 0.0014507900000000, -0.0004270300000000, -0.0022312300000000 ] - [ -0.0003031300000000, -0.0024382400000000, -0.0030446600000000 ] - [ 0.0004940200000000, 0.0031912900000000, -0.0035718400000000 ] - [ -0.0006326800000000, -0.0003327100000000, -0.0007937500000000 ] - [ 0.0004062800000000, -0.0002962700000000, -0.0013856700000000 ] - [ -0.0002257200000000, 0.0002041200000000, -0.0013916700000000 ] - [ -0.0007746500000000, -0.0006754800000000, -0.0007897500000000 ] - [ -0.0016630600000000, 0.0026209900000000, -0.0026971500000000 ] - [ 0.0012788900000000, -0.0024709900000000, -0.0026892700000000 ] - [ 0.0003788200000000, -0.0002328700000000, -0.0008418300000000 ] - [ -0.0007472400000000, -0.0001095000000000, -0.0013414500000000 ] - [ -0.0000612500000000, 0.0001172500000000, -0.0013476300000000 ] - [ 0.0003930200000000, 0.0011532700000000, -0.0008359100000000 ] - [ 0.0008035300000000, -0.0005385700000000, -0.0067460200000000 ] - [ 0.0003407700000000, 0.0002719500000000, -0.0067831300000000 ] - [ 0.0006343000000000, 0.0024527200000000, -0.0023821500000000 ] - [ -0.0014352300000000, -0.0021281900000000, -0.0033916100000000 ] - [ 0.0010560900000000, 0.0003817400000000, -0.0013708300000000 ] - [ 0.0007900000000000, -0.0002807400000000, -0.0014543700000000 ] - [ 0.0117912200000000, 0.0065025600000000, -0.2037447100000000 ] - [ -0.0001372400000000, -0.0001282900000000, 0.0061738600000000 ] - [ -0.0000428700000000, -0.0037022200000000, -0.0144826800000000 ] - [ 0.0001673900000000, 0.0001115300000000, 0.0051006200000000 ] - [ 0.0188151800000000, -0.0115979900000000, 0.0203827300000000 ] - [ -0.0021545000000000, 0.0011874200000000, 0.0069636300000000 ] - [ -0.0001386900000000, -0.0001641300000000, 0.0038630000000000 ] - [ 0.0002365800000000, -0.0000624700000000, 0.0021161200000000 ] - [ -0.0000060100000000, -0.0023605200000000, 0.0069517900000000 ] - [ -0.0005954400000000, 0.0224008600000000, 0.0205029300000000 ] - [ -0.0033053900000000, 0.0018112000000000, -0.0144732800000000 ] - [ 0.0000961100000000, 0.0000880500000000, 0.0051004500000000 ] - [ 0.0001032000000000, 0.0001667000000000, 0.0021387200000000 ] - [ -0.0001694900000000, -0.0001105600000000, 0.0038583700000000 ] - [ -0.0005713800000000, 0.0046024700000000, -0.0003524300000000 ] - [ 0.0003217800000000, -0.0015070300000000, 0.0050038400000000 ] - [ -0.0012199400000000, 0.0010279100000000, 0.0050068200000000 ] - [ 0.0036322300000000, -0.0028057300000000, -0.0003724700000000 ] - [ 0.0015666500000000, 0.0012707400000000, 0.0068417200000000 ] - [ -0.0117637600000000, -0.0084461300000000, 0.0063138800000000 ] - [ -0.0131340600000000, -0.0059567900000000, 0.0063295400000000 ] - [ 0.0018957400000000, 0.0007311800000000, 0.0068411700000000 ] - [ 0.0032609400000000, 0.0018795600000000, -0.0180735800000000 ] - [ -0.0000358300000000, -0.0000198800000000, 0.0059740900000000 ]- atom: 115 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000976400000000, -0.0020184500000000, -0.0006569200000000 ] - [ 0.0004069800000000, -0.0029210800000000, 0.0007973300000000 ] - [ 0.0004069800000000, 0.0029210800000000, -0.0007973300000000 ] - [ 0.0000976400000000, 0.0020184500000000, 0.0006569200000000 ] - [ 0.0045823900000000, 0.0001739900000000, 0.0014530700000000 ] - [ 0.0045823900000000, -0.0001739900000000, -0.0014530700000000 ] - [ -0.0078364600000000, 0.0002811400000000, -0.0000223500000000 ] - [ -0.0078364600000000, -0.0002811400000000, 0.0000223500000000 ] - [ -0.0001881300000000, 0.0003353800000000, -0.0003180800000000 ] - [ 0.0073891600000000, 0.0210465700000000, 0.0083095100000000 ] - [ 0.0001045900000000, -0.0002327000000000, 0.0003692600000000 ] - [ 0.0286909100000000, -0.0194608200000000, -0.0087371400000000 ] - [ -0.0004663600000000, -0.0002004800000000, -0.0000507700000000 ] - [ -0.0171247100000000, -0.0176184100000000, 0.0002967900000000 ] - [ 0.0004653600000000, 0.0000376900000000, -0.0000000300000000 ] - [ 0.0053002300000000, -0.0022154000000000, -0.0000011500000000 ] - [ 0.0286909100000000, 0.0194608200000000, 0.0087371400000000 ] - [ 0.0001045900000000, 0.0002327000000000, -0.0003692600000000 ] - [ 0.0073891600000000, -0.0210465700000000, -0.0083095100000000 ] - [ -0.0001881300000000, -0.0003353800000000, 0.0003180800000000 ] - [ -0.0171247100000000, 0.0176184100000000, -0.0002967900000000 ] - [ -0.0004663600000000, 0.0002004800000000, 0.0000507700000000 ] - [ 0.0053002300000000, 0.0022154000000000, 0.0000011500000000 ] - [ 0.0004653600000000, -0.0000376900000000, 0.0000000300000000 ] - [ -0.0002051800000000, 0.0011314000000000, 0.0010257100000000 ] - [ -0.0001326200000000, 0.0004933500000000, -0.0004684000000000 ] - [ -0.0014789500000000, -0.0008365400000000, -0.0014033500000000 ] - [ -0.0031224400000000, -0.0013253700000000, 0.0031299100000000 ] - [ -0.0001326200000000, -0.0004933500000000, 0.0004684000000000 ] - [ -0.0002051800000000, -0.0011314000000000, -0.0010257100000000 ] - [ 0.0000052500000000, 0.0015864200000000, 0.0011434500000000 ] - [ -0.0007284500000000, 0.0023929400000000, -0.0019034700000000 ] - [ 0.0027517200000000, 0.0006805200000000, 0.0039877500000000 ] - [ 0.0027517200000000, -0.0006805200000000, -0.0039877500000000 ] - [ 0.0030628600000000, -0.0003536300000000, -0.0011146500000000 ] - [ 0.0035966900000000, -0.0007844200000000, 0.0028718600000000 ] - [ 0.0035966900000000, 0.0007844200000000, -0.0028718600000000 ] - [ 0.0030628600000000, 0.0003536300000000, 0.0011146500000000 ] - [ -0.0039564400000000, -0.0003916500000000, 0.0018662100000000 ] - [ -0.0039564400000000, 0.0003916500000000, -0.0018662100000000 ] - [ -0.0000308000000000, -0.0019483600000000, -0.0014965200000000 ] - [ -0.0000891600000000, -0.0012569400000000, 0.0003838500000000 ] - [ -0.0000891600000000, 0.0012569400000000, -0.0003838500000000 ] - [ -0.0000308000000000, 0.0019483600000000, 0.0014965200000000 ] - [ -0.0031224400000000, 0.0013253700000000, -0.0031299100000000 ] - [ -0.0014789500000000, 0.0008365400000000, 0.0014033500000000 ] - [ -0.0007284500000000, -0.0023929400000000, 0.0019034700000000 ] - [ 0.0000052500000000, -0.0015864200000000, -0.0011434500000000 ] - [ -0.0000143700000000, -0.0002082100000000, -0.0001653800000000 ] - [ 0.0143330900000000, 0.0046769000000000, 0.0039460400000000 ] - [ 0.0002034400000000, -0.0003333700000000, 0.0001999500000000 ] - [ 0.0004045100000000, 0.0076291000000000, -0.0005738500000000 ] - [ -0.0008848500000000, 0.0001994200000000, -0.0001858000000000 ] - [ -0.0150683100000000, 0.0035175700000000, 0.0011255300000000 ] - [ 0.0002647600000000, 0.0001014500000000, 0.0002014800000000 ] - [ -0.0027381900000000, -0.0067294200000000, -0.0003167900000000 ] - [ -0.0000431900000000, -0.0002222500000000, -0.0002366800000000 ] - [ -0.0040285300000000, -0.0033092600000000, 0.0005198100000000 ] - [ -0.0001189600000000, -0.0000466200000000, 0.0000858700000000 ] - [ 0.0008421100000000, 0.0016844100000000, -0.0002804900000000 ] - [ -0.0004694400000000, 0.0002594600000000, 0.0001477200000000 ] - [ -0.0061554100000000, 0.0038501700000000, -0.0002288400000000 ] - [ -0.0000838700000000, -0.0000972300000000, -0.0001825400000000 ] - [ 0.0096341300000000, -0.0048179800000000, 0.0030267800000000 ] - [ 0.0002273800000000, 0.0006051300000000, -0.0001745600000000 ] - [ -0.0017667300000000, 0.0142366300000000, 0.0040869600000000 ] - [ 0.0000890000000000, -0.0005328100000000, 0.0003573600000000 ] - [ -0.0119011900000000, -0.0061847600000000, -0.0070492500000000 ] - [ 0.0005795500000000, 0.0008175700000000, 0.0003620200000000 ] - [ 0.0165974400000000, 0.0008103900000000, 0.0060453100000000 ] - [ 0.0004685600000000, -0.0002951100000000, -0.0004106900000000 ] - [ 0.0208839800000000, 0.0037670000000000, -0.0109817600000000 ] - [ -0.0150683100000000, -0.0035175700000000, -0.0011255300000000 ] - [ -0.0008848500000000, -0.0001994200000000, 0.0001858000000000 ] - [ 0.0165974400000000, -0.0008103900000000, -0.0060453100000000 ] - [ 0.0005795500000000, -0.0008175700000000, -0.0003620200000000 ] - [ 0.0143330900000000, -0.0046769000000000, -0.0039460400000000 ] - [ -0.0000143700000000, 0.0002082100000000, 0.0001653800000000 ] - [ 0.0208839800000000, -0.0037670000000000, 0.0109817600000000 ] - [ 0.0004685600000000, 0.0002951100000000, 0.0004106900000000 ] - [ -0.0040285300000000, 0.0033092600000000, -0.0005198100000000 ] - [ -0.0000431900000000, 0.0002222500000000, 0.0002366800000000 ] - [ -0.0061554100000000, -0.0038501700000000, 0.0002288400000000 ] - [ -0.0004694400000000, -0.0002594600000000, -0.0001477200000000 ] - [ 0.0008421100000000, -0.0016844100000000, 0.0002804900000000 ] - [ -0.0001189600000000, 0.0000466200000000, -0.0000858700000000 ] - [ 0.0096341300000000, 0.0048179800000000, -0.0030267800000000 ] - [ -0.0000838700000000, 0.0000972300000000, 0.0001825400000000 ] - [ -0.0119011900000000, 0.0061847600000000, 0.0070492500000000 ] - [ 0.0000890000000000, 0.0005328100000000, -0.0003573600000000 ] - [ -0.0017667300000000, -0.0142366300000000, -0.0040869600000000 ] - [ 0.0002273800000000, -0.0006051300000000, 0.0001745600000000 ] - [ 0.0004045100000000, -0.0076291000000000, 0.0005738500000000 ] - [ 0.0002034400000000, 0.0003333700000000, -0.0001999500000000 ] - [ -0.0027381900000000, 0.0067294200000000, 0.0003167900000000 ] - [ 0.0002647600000000, -0.0001014500000000, -0.0002014800000000 ] - [ -0.0002774400000000, 0.0006344700000000, 0.0015751500000000 ] - [ 0.0021136100000000, 0.0149500900000000, -0.0117896000000000 ] - [ 0.0009486700000000, -0.0003275800000000, -0.0018904700000000 ] - [ 0.0099149900000000, -0.0049250800000000, 0.0131333300000000 ] - [ -0.0113944200000000, 0.0017463600000000, 0.0014035900000000 ] - [ -0.0006258500000000, 0.0009005200000000, -0.0003122700000000 ] - [ 0.0014459000000000, -0.0114794900000000, 0.0032709300000000 ] - [ 0.0000029500000000, -0.0003954000000000, -0.0000362700000000 ] - [ 0.0014459000000000, 0.0114794900000000, -0.0032709300000000 ] - [ 0.0000029500000000, 0.0003954000000000, 0.0000362700000000 ] - [ -0.0006258500000000, -0.0009005200000000, 0.0003122700000000 ] - [ -0.0113944200000000, -0.0017463600000000, -0.0014035900000000 ] - [ 0.0099149900000000, 0.0049250800000000, -0.0131333300000000 ] - [ 0.0009486700000000, 0.0003275800000000, 0.0018904700000000 ] - [ 0.0021136100000000, -0.0149500900000000, 0.0117896000000000 ] - [ -0.0002774400000000, -0.0006344700000000, -0.0015751500000000 ] - [ 0.0211338000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005658400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.1244549800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007656700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0062211700000000, 0.0010188600000000, 0.0000093900000000 ] - [ 0.0010619900000000, 0.0005226100000000, -0.0000000800000000 ] - [ 0.0010619900000000, -0.0005226100000000, 0.0000000800000000 ] - [ 0.0062211700000000, -0.0010188600000000, -0.0000093900000000 ]- atom: 115 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001046500000000, 0.0020551700000000, 0.0006494700000000 ] - [ -0.0004261300000000, 0.0029433100000000, -0.0007891300000000 ] - [ -0.0004261300000000, -0.0029433100000000, 0.0007891300000000 ] - [ -0.0001046500000000, -0.0020551700000000, -0.0006494700000000 ] - [ -0.0045415800000000, -0.0001751500000000, -0.0014398000000000 ] - [ -0.0045415800000000, 0.0001751500000000, 0.0014398000000000 ] - [ 0.0078184400000000, -0.0002724600000000, -0.0000223000000000 ] - [ 0.0078184400000000, 0.0002724600000000, 0.0000223000000000 ] - [ 0.0001629600000000, -0.0002947700000000, 0.0003167100000000 ] - [ -0.0071883500000000, -0.0212377900000000, -0.0084079500000000 ] - [ -0.0001310400000000, 0.0001933000000000, -0.0003659200000000 ] - [ -0.0284607400000000, 0.0192205700000000, 0.0085422700000000 ] - [ 0.0005063400000000, 0.0002055100000000, 0.0000496800000000 ] - [ 0.0171277000000000, 0.0174487200000000, -0.0002641700000000 ] - [ -0.0004587300000000, -0.0000313900000000, 0.0000000000000000 ] - [ -0.0052763000000000, 0.0022562000000000, -0.0000011100000000 ] - [ -0.0284607400000000, -0.0192205700000000, -0.0085422700000000 ] - [ -0.0001310400000000, -0.0001933000000000, 0.0003659200000000 ] - [ -0.0071883500000000, 0.0212377900000000, 0.0084079500000000 ] - [ 0.0001629600000000, 0.0002947700000000, -0.0003167100000000 ] - [ 0.0171277000000000, -0.0174487200000000, 0.0002641700000000 ] - [ 0.0005063400000000, -0.0002055100000000, -0.0000496800000000 ] - [ -0.0052763000000000, -0.0022562000000000, 0.0000011100000000 ] - [ -0.0004587300000000, 0.0000313900000000, 0.0000000000000000 ] - [ -0.0007947100000000, -0.0013931000000000, -0.0011470400000000 ] - [ -0.0008615800000000, -0.0007671100000000, 0.0003220600000000 ] - [ 0.0017348600000000, -0.0001788000000000, 0.0015331700000000 ] - [ 0.0033734400000000, 0.0003108600000000, -0.0029750400000000 ] - [ -0.0008615800000000, 0.0007671100000000, -0.0003220600000000 ] - [ -0.0007947100000000, 0.0013931000000000, 0.0011470400000000 ] - [ 0.0007253000000000, -0.0008696400000000, -0.0010023200000000 ] - [ 0.0014551100000000, -0.0016634000000000, 0.0020290100000000 ] - [ -0.0024887600000000, -0.0006766600000000, -0.0039757600000000 ] - [ -0.0024887600000000, 0.0006766600000000, 0.0039757600000000 ] - [ -0.0031818000000000, 0.0001046700000000, 0.0011187800000000 ] - [ -0.0037181700000000, 0.0005347000000000, -0.0028581100000000 ] - [ -0.0037181700000000, -0.0005347000000000, 0.0028581100000000 ] - [ -0.0031818000000000, -0.0001046700000000, -0.0011187800000000 ] - [ 0.0032060800000000, 0.0003956000000000, -0.0018844500000000 ] - [ 0.0032060800000000, -0.0003956000000000, 0.0018844500000000 ] - [ 0.0004092700000000, 0.0025857800000000, 0.0014856400000000 ] - [ 0.0004666300000000, 0.0019031500000000, -0.0003846000000000 ] - [ 0.0004666300000000, -0.0019031500000000, 0.0003846000000000 ] - [ 0.0004092700000000, -0.0025857800000000, -0.0014856400000000 ] - [ 0.0033734400000000, -0.0003108600000000, 0.0029750400000000 ] - [ 0.0017348600000000, 0.0001788000000000, -0.0015331700000000 ] - [ 0.0014551100000000, 0.0016634000000000, -0.0020290100000000 ] - [ 0.0007253000000000, 0.0008696400000000, 0.0010023200000000 ] - [ -0.0009834300000000, -0.0000392200000000, 0.0000218100000000 ] - [ -0.0153813400000000, -0.0051924100000000, -0.0042810200000000 ] - [ 0.0000835900000000, -0.0006553900000000, -0.0000541700000000 ] - [ -0.0001264100000000, -0.0085464900000000, 0.0007225300000000 ] - [ -0.0001100700000000, 0.0000460400000000, 0.0003271100000000 ] - [ 0.0140435600000000, -0.0032332900000000, -0.0009466400000000 ] - [ 0.0004454800000000, 0.0006379900000000, -0.0000572900000000 ] - [ 0.0033892200000000, 0.0074783300000000, 0.0004589400000000 ] - [ 0.0003826000000000, 0.0002028400000000, 0.0002335300000000 ] - [ 0.0043579100000000, 0.0032605500000000, -0.0005165200000000 ] - [ -0.0000719300000000, -0.0002456900000000, -0.0000865100000000 ] - [ -0.0010230400000000, -0.0019973000000000, 0.0002790300000000 ] - [ 0.0003075200000000, 0.0000444400000000, -0.0001500400000000 ] - [ 0.0059833500000000, -0.0035841100000000, 0.0002481100000000 ] - [ -0.0007287300000000, 0.0000873100000000, 0.0001833200000000 ] - [ -0.0103648900000000, 0.0048010500000000, -0.0030305900000000 ] - [ 0.0001764700000000, 0.0001106900000000, 0.0001750500000000 ] - [ 0.0022159200000000, -0.0133932700000000, -0.0040515000000000 ] - [ 0.0003284500000000, -0.0001722300000000, -0.0003581100000000 ] - [ 0.0123481800000000, 0.0055801900000000, 0.0071467400000000 ] - [ -0.0002934200000000, 0.0001743400000000, -0.0005029400000000 ] - [ -0.0166588700000000, 0.0006385600000000, -0.0065995000000000 ] - [ 0.0002502700000000, -0.0004484800000000, 0.0002671000000000 ] - [ -0.0190133300000000, -0.0043225400000000, 0.0099026900000000 ] - [ 0.0140435600000000, 0.0032332900000000, 0.0009466400000000 ] - [ -0.0001100700000000, -0.0000460400000000, -0.0003271100000000 ] - [ -0.0166588700000000, -0.0006385600000000, 0.0065995000000000 ] - [ -0.0002934200000000, -0.0001743400000000, 0.0005029400000000 ] - [ -0.0153813400000000, 0.0051924100000000, 0.0042810200000000 ] - [ -0.0009834300000000, 0.0000392200000000, -0.0000218100000000 ] - [ -0.0190133300000000, 0.0043225400000000, -0.0099026900000000 ] - [ 0.0002502700000000, 0.0004484800000000, -0.0002671000000000 ] - [ 0.0043579100000000, -0.0032605500000000, 0.0005165200000000 ] - [ 0.0003826000000000, -0.0002028400000000, -0.0002335300000000 ] - [ 0.0059833500000000, 0.0035841100000000, -0.0002481100000000 ] - [ 0.0003075200000000, -0.0000444400000000, 0.0001500400000000 ] - [ -0.0010230400000000, 0.0019973000000000, -0.0002790300000000 ] - [ -0.0000719300000000, 0.0002456900000000, 0.0000865100000000 ] - [ -0.0103648900000000, -0.0048010500000000, 0.0030305900000000 ] - [ -0.0007287300000000, -0.0000873100000000, -0.0001833200000000 ] - [ 0.0123481800000000, -0.0055801900000000, -0.0071467400000000 ] - [ 0.0003284500000000, 0.0001722300000000, 0.0003581100000000 ] - [ 0.0022159200000000, 0.0133932700000000, 0.0040515000000000 ] - [ 0.0001764700000000, -0.0001106900000000, -0.0001750500000000 ] - [ -0.0001264100000000, 0.0085464900000000, -0.0007225300000000 ] - [ 0.0000835900000000, 0.0006553900000000, 0.0000541700000000 ] - [ 0.0033892200000000, -0.0074783300000000, -0.0004589400000000 ] - [ 0.0004454800000000, -0.0006379900000000, 0.0000572900000000 ] - [ 0.0003083100000000, -0.0007046100000000, -0.0015718100000000 ] - [ -0.0020844600000000, -0.0149082400000000, 0.0117001500000000 ] - [ -0.0008922800000000, 0.0004034400000000, 0.0018881300000000 ] - [ -0.0098114500000000, 0.0050979700000000, -0.0131962000000000 ] - [ 0.0111811100000000, -0.0017838600000000, -0.0014360800000000 ] - [ 0.0005394600000000, -0.0008970800000000, 0.0003193700000000 ] - [ -0.0014135600000000, 0.0113487000000000, -0.0032465200000000 ] - [ 0.0000375700000000, 0.0003233200000000, 0.0000355700000000 ] - [ -0.0014135600000000, -0.0113487000000000, 0.0032465200000000 ] - [ 0.0000375700000000, -0.0003233200000000, -0.0000355700000000 ] - [ 0.0005394600000000, 0.0008970800000000, -0.0003193700000000 ] - [ 0.0111811100000000, 0.0017838600000000, 0.0014360800000000 ] - [ -0.0098114500000000, -0.0050979700000000, 0.0131962000000000 ] - [ -0.0008922800000000, -0.0004034400000000, -0.0018881300000000 ] - [ -0.0020844600000000, 0.0149082400000000, -0.0117001500000000 ] - [ 0.0003083100000000, 0.0007046100000000, 0.0015718100000000 ] - [ -0.0212658100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006442100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.1221328000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007641100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0062116500000000, -0.0009611900000000, 0.0000093400000000 ] - [ -0.0010571400000000, -0.0005093900000000, -0.0000001100000000 ] - [ -0.0010571400000000, 0.0005093900000000, 0.0000001100000000 ] - [ -0.0062116500000000, 0.0009611900000000, -0.0000093400000000 ]- atom: 115 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001337200000000, 0.0003404100000000, 0.0012477600000000 ] - [ 0.0002066700000000, -0.0002478900000000, 0.0012583300000000 ] - [ -0.0002279400000000, -0.0002860100000000, 0.0012477600000000 ] - [ 0.0001113500000000, 0.0003029300000000, 0.0012583300000000 ] - [ 0.0003616600000000, -0.0000544000000000, 0.0012477600000000 ] - [ -0.0003180200000000, -0.0000550300000000, 0.0012583300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112183700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110935000000000 ] - [ -0.0003995000000000, -0.0003595200000000, 0.0023882500000000 ] - [ 0.0188274900000000, 0.0087766200000000, -0.0068282300000000 ] - [ 0.0005111000000000, -0.0001662200000000, 0.0023882500000000 ] - [ -0.0170145200000000, 0.0119167700000000, -0.0068282300000000 ] - [ -0.0001116000000000, 0.0005257300000000, 0.0023882500000000 ] - [ -0.0018129700000000, -0.0206934000000000, -0.0068282300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019204600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028290700000000 ] - [ 0.0169927500000000, 0.0119551300000000, -0.0069070600000000 ] - [ -0.0005199700000000, -0.0001218800000000, 0.0023881500000000 ] - [ -0.0188498200000000, 0.0087385900000000, -0.0069070600000000 ] - [ 0.0003655400000000, -0.0003893700000000, 0.0023881500000000 ] - [ 0.0018570700000000, -0.0206937100000000, -0.0069070600000000 ] - [ 0.0001544400000000, 0.0005112500000000, 0.0023881500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028392900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019235600000000 ] - [ -0.0005101400000000, -0.0023339500000000, -0.0022185900000000 ] - [ -0.0005888600000000, 0.0004929100000000, -0.0017484900000000 ] - [ -0.0004800600000000, -0.0007446600000000, -0.0015902100000000 ] - [ 0.0020155700000000, 0.0006056600000000, -0.0020919300000000 ] - [ -0.0004048700000000, 0.0007880800000000, -0.0015902100000000 ] - [ -0.0004832700000000, -0.0020483600000000, -0.0020919300000000 ] - [ 0.0008849300000000, -0.0000434100000000, -0.0015902100000000 ] - [ -0.0015323000000000, 0.0014427100000000, -0.0020919300000000 ] - [ 0.0031327400000000, -0.0009250800000000, -0.0053945900000000 ] - [ -0.0028151500000000, -0.0009208300000000, -0.0053670500000000 ] - [ -0.0023675100000000, -0.0022504900000000, -0.0053945900000000 ] - [ 0.0006101100000000, 0.0028984100000000, -0.0053670500000000 ] - [ -0.0007652300000000, 0.0031755700000000, -0.0053945900000000 ] - [ 0.0022050400000000, -0.0019775700000000, -0.0053670500000000 ] - [ 0.0008195800000000, 0.0001162700000000, -0.0014229300000000 ] - [ -0.0015512700000000, 0.0001175000000000, -0.0014387800000000 ] - [ -0.0003091000000000, -0.0007679100000000, -0.0014229300000000 ] - [ 0.0008774000000000, 0.0012846900000000, -0.0014387800000000 ] - [ -0.0005104800000000, 0.0006516500000000, -0.0014229300000000 ] - [ 0.0006738800000000, -0.0014021900000000, -0.0014387800000000 ] - [ -0.0017661900000000, 0.0016087700000000, -0.0022185900000000 ] - [ 0.0007213000000000, 0.0002635100000000, -0.0017484900000000 ] - [ 0.0022763300000000, 0.0007251900000000, -0.0022185900000000 ] - [ -0.0001324400000000, -0.0007564200000000, -0.0017484900000000 ] - [ 0.0001446800000000, -0.0004066100000000, -0.0037411600000000 ] - [ -0.0010830100000000, 0.0090532800000000, 0.0188355700000000 ] - [ 0.0008303100000000, -0.0005141100000000, -0.0025969400000000 ] - [ -0.0018913600000000, 0.0053787700000000, 0.0046880400000000 ] - [ -0.0008603900000000, -0.0004620100000000, -0.0025969400000000 ] - [ 0.0056038300000000, -0.0010514200000000, 0.0046880400000000 ] - [ 0.0000300800000000, 0.0009761200000000, -0.0025969400000000 ] - [ -0.0037124800000000, -0.0043273500000000, 0.0046880400000000 ] - [ 0.0000678600000000, -0.0004072500000000, -0.0025383900000000 ] - [ 0.0022427000000000, 0.0021715500000000, 0.0042691700000000 ] - [ -0.0003866200000000, 0.0001448600000000, -0.0025383900000000 ] - [ 0.0007592700000000, -0.0030280100000000, 0.0042691700000000 ] - [ 0.0003187600000000, 0.0002623900000000, -0.0025383900000000 ] - [ -0.0030019700000000, 0.0008564500000000, 0.0042691700000000 ] - [ -0.0005705600000000, -0.0005480300000000, -0.0030351900000000 ] - [ 0.0046514300000000, 0.0087724300000000, 0.0047788000000000 ] - [ -0.0001893200000000, 0.0007681400000000, -0.0030351900000000 ] - [ 0.0052714300000000, -0.0084144700000000, 0.0047788000000000 ] - [ 0.0007598900000000, -0.0002201100000000, -0.0030351900000000 ] - [ -0.0099228600000000, -0.0003579600000000, 0.0047788000000000 ] - [ -0.0004244700000000, 0.0000780100000000, -0.0037411600000000 ] - [ 0.0083818700000000, -0.0035887300000000, 0.0188355700000000 ] - [ 0.0002798000000000, 0.0003286000000000, -0.0037411600000000 ] - [ -0.0072988700000000, -0.0054645500000000, 0.0188355700000000 ] - [ -0.0065823800000000, -0.0012876400000000, 0.0045458300000000 ] - [ -0.0001394900000000, -0.0007098600000000, -0.0027450400000000 ] - [ -0.0085583700000000, -0.0051317600000000, 0.0193662500000000 ] - [ 0.0007099600000000, -0.0009015700000000, -0.0035917100000000 ] - [ -0.0001650500000000, 0.0099776500000000, 0.0193662500000000 ] - [ -0.0011357600000000, -0.0001640600000000, -0.0035917100000000 ] - [ 0.0087234200000000, -0.0048458900000000, 0.0193662500000000 ] - [ 0.0004258000000000, 0.0010656300000000, -0.0035917100000000 ] - [ -0.0019046300000000, 0.0021876900000000, 0.0042805800000000 ] - [ 0.0002651600000000, -0.0003900300000000, -0.0025410200000000 ] - [ 0.0028469100000000, 0.0005556100000000, 0.0042805800000000 ] - [ -0.0004703500000000, -0.0000346200000000, -0.0025410200000000 ] - [ -0.0009422800000000, -0.0027433000000000, 0.0042805800000000 ] - [ 0.0002051900000000, 0.0004246500000000, -0.0025410200000000 ] - [ -0.0054648900000000, 0.0087840000000000, 0.0048477700000000 ] - [ -0.0002435900000000, -0.0005309100000000, -0.0030318300000000 ] - [ 0.0103396100000000, 0.0003407400000000, 0.0048477700000000 ] - [ -0.0003379900000000, 0.0004764100000000, -0.0030318300000000 ] - [ -0.0048747200000000, -0.0091247300000000, 0.0048477700000000 ] - [ 0.0005815700000000, 0.0000545000000000, -0.0030318300000000 ] - [ 0.0021760600000000, 0.0063443200000000, 0.0045458300000000 ] - [ -0.0005450100000000, 0.0004757300000000, -0.0027450400000000 ] - [ 0.0044063100000000, -0.0050566900000000, 0.0045458300000000 ] - [ 0.0006845000000000, 0.0002341300000000, -0.0027450400000000 ] - [ 0.0025743700000000, 0.0013407900000000, 0.0068416200000000 ] - [ -0.0093421900000000, -0.0104616300000000, 0.0063438700000000 ] - [ -0.0024483500000000, 0.0015590800000000, 0.0068416200000000 ] - [ 0.0137311300000000, -0.0028597600000000, 0.0063438700000000 ] - [ 0.0043126500000000, 0.0134120700000000, 0.0062991500000000 ] - [ 0.0000388600000000, -0.0028573500000000, 0.0068397600000000 ] - [ 0.0036934700000000, 0.0020967300000000, -0.0180705600000000 ] - [ -0.0003695700000000, -0.0002630100000000, 0.0059725500000000 ] - [ -0.0036625600000000, 0.0021502700000000, -0.0180705600000000 ] - [ 0.0004125600000000, -0.0001885500000000, 0.0059725500000000 ] - [ -0.0001260200000000, -0.0028998700000000, 0.0068416200000000 ] - [ -0.0043889400000000, 0.0133213900000000, 0.0063438700000000 ] - [ -0.0137715200000000, -0.0029711700000000, 0.0062991500000000 ] - [ 0.0024551100000000, 0.0014623300000000, 0.0068397600000000 ] - [ 0.0094588700000000, -0.0104409000000000, 0.0062991500000000 ] - [ -0.0024939700000000, 0.0013950300000000, 0.0068397600000000 ] - [ -0.0000309100000000, -0.0042470100000000, -0.0180705600000000 ] - [ -0.0000429900000000, 0.0004515600000000, 0.0059725500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1261409900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0086340000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006776700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0053811700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0053614300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007239800000000 ]