# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1c6dd8f7-3622-4acd-a89f-54f0ab1b854e/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 Ba2TaBiO6 / C2/m (12) / materials id 545544](https://mdr.nims.go.jp/datasets/79f57544-b0ee-4184-b07f-325245a02840) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.216314175000000, -3.013647005000000, -0.004288755000000 ] # a - [ 5.216314175000000, 3.013647005000000, -0.004288755000000 ] # b - [ -3.518209270000000, 0.000000000000000, 4.987098510000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.248666860000000, 0.248666860000000, 0.243093220000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.751333140000000, 0.751333140000000, 0.756906780000000 ] mass: 137.327000 - symbol: O # 3 coordinates: [ 0.230593070000000, 0.696333410000000, 0.190952540000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.769406930000000, 0.303666590000000, 0.809047460000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.696333410000000, 0.230593070000000, 0.190952540000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.271050010000000, 0.271050010000000, 0.704518350000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.303666590000000, 0.769406930000000, 0.809047460000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.728949990000000, 0.728949990000000, 0.295481650000000 ] mass: 15.999400 - symbol: Ta # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 180.947880 - symbol: Bi # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 208.980400 reciprocal_lattice: # without 2pi - [ 0.095908750959925, -0.165911933006898, 0.067659994288208 ] # a* - [ 0.095908750959925, 0.165911933006898, 0.067659994288208 ] # b* - [ 0.000164957293063, 0.000000000000000, 0.200633765760045 ] # c*unit_cell: lattice: - [ 10.432628350000000, 0.000000000000000, -0.008577510000000 ] # a - [ 0.000000000000000, 6.027294010000000, 0.000000000000000 ] # b - [ -3.518209270000000, 0.000000000000000, 4.987098510000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.248666860000000, 0.000000000000000, 0.243093220000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.251333140000000, 0.500000000000000, 0.756906780000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.748666860000000, 0.500000000000000, 0.243093220000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 4 coordinates: [ 0.751333140000000, 0.000000000000000, 0.756906780000000 ] mass: 137.327000 reduced_to: 2 - symbol: O # 5 coordinates: [ 0.963463240000000, 0.732870170000000, 0.190952540000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.536536760000000, 0.767129830000000, 0.809047460000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.463463240000000, 0.767129830000000, 0.190952540000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.771050010000000, 0.500000000000000, 0.704518350000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.036536760000000, 0.732870170000000, 0.809047460000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.728949990000000, 0.000000000000000, 0.295481650000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.463463240000000, 0.232870170000000, 0.190952540000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 12 coordinates: [ 0.036536760000000, 0.267129830000000, 0.809047460000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 13 coordinates: [ 0.963463240000000, 0.267129830000000, 0.190952540000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 14 coordinates: [ 0.271050010000000, 0.000000000000000, 0.704518350000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 15 coordinates: [ 0.536536760000000, 0.232870170000000, 0.809047460000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 16 coordinates: [ 0.228949990000000, 0.500000000000000, 0.295481650000000 ] mass: 15.999400 reduced_to: 10 - symbol: Ta # 17 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 17 - symbol: Ta # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 17 - symbol: Bi # 19 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 19supercell: lattice: - [ 10.432628350000000, 0.000000000000000, -0.008577510000000 ] # a - [ 0.000000000000000, 12.054588020000001, 0.000000000000000 ] # b - [ -7.036418540000000, 0.000000000000000, 9.974197020000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.248666860000000, 0.000000000000000, 0.121546610000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.248666860000000, 0.500000000000000, 0.121546610000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.248666860000000, 0.000000000000000, 0.621546610000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 4 coordinates: [ 0.248666860000000, 0.500000000000000, 0.621546610000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 5 coordinates: [ 0.251333140000000, 0.250000000000000, 0.378453390000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.251333140000000, 0.750000000000000, 0.378453390000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 7 coordinates: [ 0.251333140000000, 0.250000000000000, 0.878453390000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 8 coordinates: [ 0.251333140000000, 0.750000000000000, 0.878453390000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 9 coordinates: [ 0.748666860000000, 0.250000000000000, 0.121546610000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 10 coordinates: [ 0.748666860000000, 0.750000000000000, 0.121546610000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 11 coordinates: [ 0.748666860000000, 0.250000000000000, 0.621546610000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 12 coordinates: [ 0.748666860000000, 0.750000000000000, 0.621546610000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 13 coordinates: [ 0.751333140000000, 0.000000000000000, 0.378453390000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 14 coordinates: [ 0.751333140000000, 0.500000000000000, 0.378453390000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 15 coordinates: [ 0.751333140000000, 0.000000000000000, 0.878453390000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 16 coordinates: [ 0.751333140000000, 0.500000000000000, 0.878453390000000 ] mass: 137.327000 reduced_to: 5 - symbol: O # 17 coordinates: [ 0.963463240000000, 0.366435085000000, 0.095476270000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.963463240000000, 0.866435085000000, 0.095476270000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.963463240000000, 0.366435085000000, 0.595476270000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.963463240000000, 0.866435085000000, 0.595476270000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.536536760000000, 0.383564915000000, 0.404523730000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.536536760000000, 0.883564915000000, 0.404523730000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.536536760000000, 0.383564915000000, 0.904523730000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.536536760000000, 0.883564915000000, 0.904523730000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.463463240000000, 0.383564915000000, 0.095476270000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.463463240000000, 0.883564915000000, 0.095476270000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.463463240000000, 0.383564915000000, 0.595476270000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.463463240000000, 0.883564915000000, 0.595476270000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.771050010000000, 0.250000000000000, 0.352259175000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.771050010000000, 0.750000000000000, 0.352259175000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.771050010000000, 0.250000000000000, 0.852259175000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 32 coordinates: [ 0.771050010000000, 0.750000000000000, 0.852259175000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.036536760000000, 0.366435085000000, 0.404523730000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.036536760000000, 0.866435085000000, 0.404523730000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.036536760000000, 0.366435085000000, 0.904523730000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.036536760000000, 0.866435085000000, 0.904523730000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.728949990000000, 0.000000000000000, 0.147740825000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.728949990000000, 0.500000000000000, 0.147740825000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.728949990000000, 0.000000000000000, 0.647740825000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.728949990000000, 0.500000000000000, 0.647740825000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.463463240000000, 0.116435085000000, 0.095476270000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 42 coordinates: [ 0.463463240000000, 0.616435085000000, 0.095476270000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 43 coordinates: [ 0.463463240000000, 0.116435085000000, 0.595476270000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 44 coordinates: [ 0.463463240000000, 0.616435085000000, 0.595476270000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 45 coordinates: [ 0.036536760000000, 0.133564915000000, 0.404523730000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 46 coordinates: [ 0.036536760000000, 0.633564915000000, 0.404523730000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 47 coordinates: [ 0.036536760000000, 0.133564915000000, 0.904523730000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 48 coordinates: [ 0.036536760000000, 0.633564915000000, 0.904523730000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 49 coordinates: [ 0.963463240000000, 0.133564915000000, 0.095476270000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 50 coordinates: [ 0.963463240000000, 0.633564915000000, 0.095476270000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 51 coordinates: [ 0.963463240000000, 0.133564915000000, 0.595476270000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 52 coordinates: [ 0.963463240000000, 0.633564915000000, 0.595476270000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 53 coordinates: [ 0.271050010000000, 0.000000000000000, 0.352259175000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 54 coordinates: [ 0.271050010000000, 0.500000000000000, 0.352259175000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 55 coordinates: [ 0.271050010000000, 0.000000000000000, 0.852259175000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 56 coordinates: [ 0.271050010000000, 0.500000000000000, 0.852259175000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 57 coordinates: [ 0.536536760000000, 0.116435085000000, 0.404523730000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 58 coordinates: [ 0.536536760000000, 0.616435085000000, 0.404523730000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 59 coordinates: [ 0.536536760000000, 0.116435085000000, 0.904523730000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 60 coordinates: [ 0.536536760000000, 0.616435085000000, 0.904523730000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 61 coordinates: [ 0.228949990000000, 0.250000000000000, 0.147740825000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 62 coordinates: [ 0.228949990000000, 0.750000000000000, 0.147740825000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 63 coordinates: [ 0.228949990000000, 0.250000000000000, 0.647740825000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 64 coordinates: [ 0.228949990000000, 0.750000000000000, 0.647740825000000 ] mass: 15.999400 reduced_to: 37 - symbol: Ta # 65 coordinates: [ 0.000000000000000, 0.250000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 66 coordinates: [ 0.000000000000000, 0.750000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 67 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 68 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 69 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 70 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 71 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 72 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Bi # 73 coordinates: [ 0.500000000000000, 0.250000000000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 74 coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 75 coordinates: [ 0.500000000000000, 0.250000000000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 76 coordinates: [ 0.500000000000000, 0.750000000000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 78 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 79 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 80 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 73born_effective_charge:- # 1 (Ba) - [ 2.694240370000000, -0.000000000000000, -0.106133570000000 ] - [ -0.000000000000000, 2.708864510000000, -0.000000000000000 ] - [ -0.089663690000000, 0.000000000000000, 2.786484910000000 ]- # 2 (Ba) - [ 2.694240370000000, -0.000000000000000, -0.106133570000000 ] - [ -0.000000000000000, 2.708864510000000, -0.000000000000000 ] - [ -0.089663690000000, 0.000000000000000, 2.786484910000000 ]- # 3 (O) - [ -2.512883990000000, 1.214357740000000, 0.968284770000000 ] - [ 1.202591590000000, -3.764674010000000, -1.638788490000000 ] - [ 0.953709900000000, -1.513685760000000, -3.053673640000000 ]- # 4 (O) - [ -2.512883990000000, 1.214357740000000, 0.968284770000000 ] - [ 1.202591590000000, -3.764674010000000, -1.638788490000000 ] - [ 0.953709900000000, -1.513685760000000, -3.053673640000000 ]- # 5 (O) - [ -2.512883990000000, -1.214357740000000, 0.968284770000000 ] - [ -1.202591590000000, -3.764674010000000, 1.638788490000000 ] - [ 0.953709900000000, 1.513685760000000, -3.053673640000000 ]- # 6 (O) - [ -4.317430760000000, -0.000000000000000, -1.824883120000000 ] - [ -0.000000000000000, -1.681509610000000, -0.000000000000000 ] - [ -1.854356810000000, -0.000000000000000, -3.416317570000000 ]- # 7 (O) - [ -2.512883990000000, -1.214357740000000, 0.968284770000000 ] - [ -1.202591590000000, -3.764674010000000, 1.638788490000000 ] - [ 0.953709900000000, 1.513685760000000, -3.053673640000000 ]- # 8 (O) - [ -4.317430760000000, -0.000000000000000, -1.824883120000000 ] - [ -0.000000000000000, -1.681509610000000, -0.000000000000000 ] - [ -1.854356810000000, -0.000000000000000, -3.416317570000000 ]- # 9 (Ta) - [ 7.927223940000000, 0.000000000000000, 0.427714540000000 ] - [ 0.000000000000000, 7.813725820000000, 0.000000000000000 ] - [ -0.314521310000000, 0.000000000000000, 7.722196930000000 ]- # 10 (Bi) - [ 5.370692800000000, -0.000000000000000, -0.438820230000000 ] - [ 0.000000000000000, 5.190260410000000, -0.000000000000000 ] - [ 0.387722700000000, 0.000000000000000, 5.752162940000000 ]dielectric_constant: - [ 5.689928930000000, 0.000000000000000, 0.003020760000000 ] - [ 0.000000000000000, 5.660971280000000, 0.000000000000000 ] - [ 0.003025310000000, 0.000000000000000, 5.721315150000000 ]displacements:- atom: 1 displacement: [ 0.0099999966200928, 0.0000000000000000, -0.0000082218083623 ] forces: - [ -0.0546494100000000, 0.0000000000000000, 0.0058164700000000 ] - [ -0.0011309700000000, 0.0000000000000000, 0.0000509900000000 ] - [ 0.0008726100000000, 0.0000000000000000, -0.0019291000000000 ] - [ -0.0000595400000000, 0.0000000000000000, 0.0001303100000000 ] - [ -0.0001015700000000, -0.0028157200000000, -0.0028229800000000 ] - [ -0.0001015700000000, 0.0028157200000000, -0.0028229800000000 ] - [ -0.0010901800000000, 0.0034066400000000, -0.0035098800000000 ] - [ -0.0010901800000000, -0.0034066400000000, -0.0035098800000000 ] - [ 0.0033101300000000, 0.0002850600000000, 0.0005538900000000 ] - [ 0.0033101300000000, -0.0002850600000000, 0.0005538900000000 ] - [ -0.0000098800000000, -0.0000699000000000, 0.0016883700000000 ] - [ -0.0000098800000000, 0.0000699000000000, 0.0016883700000000 ] - [ 0.0043921400000000, 0.0000000000000000, 0.0044366100000000 ] - [ 0.0005686200000000, 0.0000000000000000, -0.0001135800000000 ] - [ 0.0056192400000000, 0.0000000000000000, 0.0042962200000000 ] - [ 0.0005746400000000, 0.0000000000000000, -0.0000521200000000 ] - [ -0.0004939600000000, 0.0018338500000000, 0.0004672400000000 ] - [ -0.0044752200000000, -0.0055351000000000, -0.0013739400000000 ] - [ -0.0000757000000000, -0.0000135000000000, -0.0000824100000000 ] - [ 0.0000280800000000, 0.0000769800000000, -0.0006772900000000 ] - [ 0.0011451900000000, -0.0018689600000000, -0.0018815600000000 ] - [ 0.0032622400000000, -0.0005416100000000, -0.0031813400000000 ] - [ -0.0006156100000000, 0.0001797800000000, 0.0003697200000000 ] - [ -0.0038289800000000, 0.0021462700000000, 0.0023296200000000 ] - [ -0.0003530000000000, -0.0014723900000000, 0.0006870900000000 ] - [ 0.0024181700000000, 0.0017962600000000, -0.0007564400000000 ] - [ 0.0002814400000000, 0.0001860500000000, 0.0001269000000000 ] - [ 0.0004309500000000, -0.0006341600000000, 0.0009209000000000 ] - [ -0.0016965000000000, -0.0003244600000000, -0.0010375800000000 ] - [ -0.0016965000000000, 0.0003244600000000, -0.0010375800000000 ] - [ -0.0013694600000000, 0.0008777900000000, -0.0018196500000000 ] - [ -0.0013694600000000, -0.0008777900000000, -0.0018196500000000 ] - [ -0.0005426800000000, -0.0000390600000000, 0.0004007000000000 ] - [ -0.0017732000000000, -0.0019503900000000, 0.0022936300000000 ] - [ 0.0012994200000000, 0.0016969000000000, -0.0010936900000000 ] - [ 0.0049215200000000, 0.0009024600000000, -0.0005956200000000 ] - [ -0.0078475500000000, 0.0000000000000000, -0.0032901600000000 ] - [ -0.0005168800000000, 0.0000000000000000, -0.0003146000000000 ] - [ 0.0020275200000000, 0.0000000000000000, -0.0001119500000000 ] - [ 0.0000823600000000, 0.0000000000000000, -0.0006994500000000 ] - [ 0.0024181700000000, -0.0017962600000000, -0.0007564400000000 ] - [ -0.0003530000000000, 0.0014723900000000, 0.0006870900000000 ] - [ 0.0004309500000000, 0.0006341600000000, 0.0009209000000000 ] - [ 0.0002814400000000, -0.0001860500000000, 0.0001269000000000 ] - [ -0.0017732000000000, 0.0019503900000000, 0.0022936300000000 ] - [ -0.0005426800000000, 0.0000390600000000, 0.0004007000000000 ] - [ 0.0049215200000000, -0.0009024600000000, -0.0005956200000000 ] - [ 0.0012994200000000, -0.0016969000000000, -0.0010936900000000 ] - [ -0.0044752200000000, 0.0055351000000000, -0.0013739400000000 ] - [ -0.0004939600000000, -0.0018338500000000, 0.0004672400000000 ] - [ 0.0000280800000000, -0.0000769800000000, -0.0006772900000000 ] - [ -0.0000757000000000, 0.0000135000000000, -0.0000824100000000 ] - [ 0.0073909500000000, 0.0000000000000000, -0.0022284000000000 ] - [ 0.0003418800000000, 0.0000000000000000, 0.0005195500000000 ] - [ -0.0010706000000000, 0.0000000000000000, 0.0067970700000000 ] - [ 0.0000715700000000, 0.0000000000000000, 0.0004671200000000 ] - [ 0.0032622400000000, 0.0005416100000000, -0.0031813400000000 ] - [ 0.0011451900000000, 0.0018689600000000, -0.0018815600000000 ] - [ -0.0038289800000000, -0.0021462700000000, 0.0023296200000000 ] - [ -0.0006156100000000, -0.0001797800000000, 0.0003697200000000 ] - [ 0.0053191100000000, 0.0014913100000000, 0.0012818400000000 ] - [ 0.0053191100000000, -0.0014913100000000, 0.0012818400000000 ] - [ -0.0000444800000000, -0.0000225200000000, 0.0006802200000000 ] - [ -0.0000444800000000, 0.0000225200000000, 0.0006802200000000 ] - [ -0.0016656400000000, -0.0140058900000000, 0.0060090800000000 ] - [ -0.0016656400000000, 0.0140058900000000, 0.0060090800000000 ] - [ 0.0019931600000000, -0.0008193300000000, -0.0005480200000000 ] - [ 0.0019931600000000, 0.0008193300000000, -0.0005480200000000 ] - [ 0.0289643300000000, 0.0000000000000000, -0.0111949600000000 ] - [ 0.0017120300000000, 0.0000000000000000, -0.0010671700000000 ] - [ -0.0111952100000000, 0.0000000000000000, -0.0034967700000000 ] - [ -0.0016701200000000, 0.0000000000000000, 0.0011427100000000 ] - [ -0.0018572500000000, 0.0113752600000000, 0.0064061400000000 ] - [ -0.0018572500000000, -0.0113752600000000, 0.0064061400000000 ] - [ 0.0017501900000000, 0.0004936900000000, -0.0008860100000000 ] - [ 0.0017501900000000, -0.0004936900000000, -0.0008860100000000 ] - [ 0.0201793500000000, 0.0000000000000000, -0.0080695400000000 ] - [ 0.0008150700000000, 0.0000000000000000, -0.0009427100000000 ] - [ -0.0069807100000000, 0.0000000000000000, 0.0010659700000000 ] - [ -0.0008238300000000, 0.0000000000000000, 0.0008896100000000 ]- atom: 1 displacement: [ -0.0099999966200928, 0.0000000000000000, 0.0000082218083623 ] forces: - [ 0.0538704100000000, 0.0000000000000000, -0.0050384600000000 ] - [ 0.0010417700000000, 0.0000000000000000, 0.0008376800000000 ] - [ -0.0009441700000000, 0.0000000000000000, 0.0028108200000000 ] - [ -0.0000219000000000, 0.0000000000000000, 0.0007595000000000 ] - [ 0.0002012200000000, 0.0028149300000000, 0.0019278700000000 ] - [ 0.0002012200000000, -0.0028149300000000, 0.0019278700000000 ] - [ 0.0011463100000000, -0.0033940500000000, 0.0026069300000000 ] - [ 0.0011463100000000, 0.0033940500000000, 0.0026069300000000 ] - [ -0.0033897400000000, -0.0002727800000000, 0.0003357100000000 ] - [ -0.0033897400000000, 0.0002727800000000, 0.0003357100000000 ] - [ -0.0000733200000000, 0.0000630900000000, -0.0007882000000000 ] - [ -0.0000733200000000, -0.0000630900000000, -0.0007882000000000 ] - [ -0.0042837400000000, 0.0000000000000000, -0.0052686100000000 ] - [ -0.0004857600000000, 0.0000000000000000, -0.0007770300000000 ] - [ -0.0055578900000000, 0.0000000000000000, -0.0052407400000000 ] - [ -0.0004878500000000, 0.0000000000000000, -0.0008384600000000 ] - [ 0.0005046400000000, -0.0017298400000000, -0.0005208100000000 ] - [ 0.0044320000000000, 0.0056344500000000, 0.0013166400000000 ] - [ 0.0001045400000000, 0.0001083400000000, 0.0000161500000000 ] - [ 0.0000043800000000, 0.0000183100000000, 0.0006018700000000 ] - [ -0.0011610000000000, 0.0017567400000000, 0.0019283300000000 ] - [ -0.0032572400000000, 0.0004265000000000, 0.0032539700000000 ] - [ 0.0005894600000000, -0.0002803800000000, -0.0003076000000000 ] - [ 0.0037948200000000, -0.0022296800000000, -0.0022583300000000 ] - [ 0.0003799300000000, 0.0013670000000000, -0.0007472400000000 ] - [ -0.0019753500000000, -0.0020383100000000, 0.0006279100000000 ] - [ -0.0002572600000000, -0.0002867100000000, -0.0001849900000000 ] - [ -0.0004114300000000, 0.0005194900000000, -0.0009645100000000 ] - [ 0.0011166100000000, 0.0003203800000000, 0.0010414500000000 ] - [ 0.0011166100000000, -0.0003203800000000, 0.0010414500000000 ] - [ 0.0007678500000000, -0.0008797900000000, 0.0018235800000000 ] - [ 0.0007678500000000, 0.0008797900000000, 0.0018235800000000 ] - [ 0.0005147600000000, 0.0001349800000000, -0.0003387900000000 ] - [ 0.0017553600000000, 0.0020714900000000, -0.0022527700000000 ] - [ -0.0013223500000000, -0.0015811500000000, 0.0011457700000000 ] - [ -0.0049743300000000, -0.0008620600000000, 0.0006077200000000 ] - [ 0.0084172800000000, 0.0000000000000000, 0.0032897300000000 ] - [ 0.0010961800000000, 0.0000000000000000, 0.0003066900000000 ] - [ -0.0014432900000000, 0.0000000000000000, 0.0001145000000000 ] - [ 0.0004991700000000, 0.0000000000000000, 0.0006884100000000 ] - [ -0.0019753500000000, 0.0020383100000000, 0.0006279100000000 ] - [ 0.0003799300000000, -0.0013670000000000, -0.0007472400000000 ] - [ -0.0004114300000000, -0.0005194900000000, -0.0009645100000000 ] - [ -0.0002572600000000, 0.0002867100000000, -0.0001849900000000 ] - [ 0.0017553600000000, -0.0020714900000000, -0.0022527700000000 ] - [ 0.0005147600000000, -0.0001349800000000, -0.0003387900000000 ] - [ -0.0049743300000000, 0.0008620600000000, 0.0006077200000000 ] - [ -0.0013223500000000, 0.0015811500000000, 0.0011457700000000 ] - [ 0.0044320000000000, -0.0056344500000000, 0.0013166400000000 ] - [ 0.0005046400000000, 0.0017298400000000, -0.0005208100000000 ] - [ 0.0000043800000000, -0.0000183100000000, 0.0006018700000000 ] - [ 0.0001045400000000, -0.0001083400000000, 0.0000161500000000 ] - [ -0.0081178500000000, 0.0000000000000000, 0.0025588600000000 ] - [ -0.0009226700000000, 0.0000000000000000, -0.0005075900000000 ] - [ 0.0005196800000000, 0.0000000000000000, -0.0067248700000000 ] - [ -0.0006501000000000, 0.0000000000000000, -0.0004583500000000 ] - [ -0.0032572400000000, -0.0004265000000000, 0.0032539700000000 ] - [ -0.0011610000000000, -0.0017567400000000, 0.0019283300000000 ] - [ 0.0037948200000000, 0.0022296800000000, -0.0022583300000000 ] - [ 0.0005894600000000, 0.0002803800000000, -0.0003076000000000 ] - [ -0.0047410800000000, -0.0014381500000000, -0.0012900600000000 ] - [ -0.0047410800000000, 0.0014381500000000, -0.0012900600000000 ] - [ 0.0006247700000000, 0.0000207800000000, -0.0006882600000000 ] - [ 0.0006247700000000, -0.0000207800000000, -0.0006882600000000 ] - [ 0.0017707200000000, 0.0140273500000000, -0.0060465800000000 ] - [ 0.0017707200000000, -0.0140273500000000, -0.0060465800000000 ] - [ -0.0020016000000000, 0.0008293400000000, 0.0005624200000000 ] - [ -0.0020016000000000, -0.0008293400000000, 0.0005624200000000 ] - [ -0.0286179300000000, 0.0000000000000000, 0.0110164700000000 ] - [ -0.0017052100000000, 0.0000000000000000, 0.0010634200000000 ] - [ 0.0111714600000000, 0.0000000000000000, 0.0034097700000000 ] - [ 0.0016662900000000, 0.0000000000000000, -0.0011403000000000 ] - [ 0.0017836600000000, -0.0113087200000000, -0.0063589300000000 ] - [ 0.0017836600000000, 0.0113087200000000, -0.0063589300000000 ] - [ -0.0017369800000000, -0.0004901800000000, 0.0008751400000000 ] - [ -0.0017369800000000, 0.0004901800000000, 0.0008751400000000 ] - [ -0.0203570900000000, 0.0000000000000000, 0.0082004800000000 ] - [ -0.0008094500000000, 0.0000000000000000, 0.0009366100000000 ] - [ 0.0069310600000000, 0.0000000000000000, -0.0009700600000000 ] - [ 0.0008128600000000, 0.0000000000000000, -0.0008772600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000790800000000, -0.0483788800000000, 0.0006590200000000 ] - [ -0.0000428000000000, 0.0049206300000000, 0.0004447000000000 ] - [ -0.0000371600000000, -0.0008767000000000, 0.0004434900000000 ] - [ -0.0000411000000000, 0.0008852100000000, 0.0004455800000000 ] - [ -0.0027810100000000, 0.0021489500000000, 0.0040736100000000 ] - [ 0.0028418300000000, 0.0021493900000000, -0.0049268100000000 ] - [ 0.0034533200000000, 0.0035193800000000, -0.0047612400000000 ] - [ -0.0033400000000000, 0.0035053500000000, 0.0038330400000000 ] - [ -0.0003222200000000, 0.0005398400000000, 0.0004797600000000 ] - [ 0.0002361800000000, 0.0005498300000000, 0.0004091700000000 ] - [ 0.0000233100000000, 0.0005581400000000, 0.0000121200000000 ] - [ -0.0001088200000000, 0.0005673500000000, 0.0008804300000000 ] - [ 0.0000306600000000, -0.0028076900000000, -0.0004549100000000 ] - [ 0.0000423200000000, 0.0015603100000000, -0.0004449400000000 ] - [ 0.0000489700000000, -0.0036499200000000, -0.0004405100000000 ] - [ 0.0000402100000000, 0.0018788700000000, -0.0004461200000000 ] - [ 0.0025865200000000, -0.0035385700000000, -0.0011537000000000 ] - [ -0.0060495900000000, 0.0014779500000000, 0.0007357700000000 ] - [ 0.0001685100000000, -0.0009958800000000, -0.0005144500000000 ] - [ -0.0003294000000000, 0.0017815100000000, 0.0009530900000000 ] - [ 0.0010867500000000, -0.0033294600000000, -0.0021754800000000 ] - [ -0.0000164500000000, 0.0026361100000000, 0.0048347300000000 ] - [ 0.0002633700000000, -0.0013669400000000, -0.0001742000000000 ] - [ -0.0000889700000000, 0.0017199600000000, -0.0001126100000000 ] - [ -0.0014678100000000, -0.0033817800000000, 0.0015816200000000 ] - [ 0.0018308500000000, 0.0068433300000000, -0.0014157700000000 ] - [ -0.0003422200000000, -0.0014291600000000, 0.0000732300000000 ] - [ 0.0001496200000000, 0.0015307700000000, -0.0001090600000000 ] - [ -0.0033650300000000, -0.0000566900000000, -0.0021189300000000 ] - [ 0.0027565600000000, -0.0000627800000000, 0.0021136600000000 ] - [ 0.0026982100000000, -0.0008365300000000, 0.0025037000000000 ] - [ -0.0032784600000000, -0.0008424900000000, -0.0024890600000000 ] - [ -0.0000771600000000, -0.0010112800000000, 0.0003236300000000 ] - [ 0.0002597400000000, 0.0014558800000000, -0.0004972500000000 ] - [ -0.0007299400000000, -0.0040395200000000, 0.0026276100000000 ] - [ 0.0007331500000000, 0.0056158600000000, -0.0019446300000000 ] - [ 0.0002894400000000, 0.0021145500000000, -0.0000054100000000 ] - [ 0.0002900200000000, -0.0009767400000000, -0.0000040700000000 ] - [ 0.0002979300000000, 0.0017862800000000, 0.0000033900000000 ] - [ 0.0002914000000000, -0.0010280500000000, -0.0000052800000000 ] - [ -0.0016353700000000, 0.0070458200000000, 0.0013372900000000 ] - [ 0.0014829000000000, -0.0032757300000000, -0.0016359500000000 ] - [ -0.0001328500000000, 0.0016519500000000, 0.0000660400000000 ] - [ 0.0003695000000000, -0.0013349200000000, -0.0001409300000000 ] - [ -0.0002892200000000, 0.0013705700000000, 0.0005644000000000 ] - [ 0.0000548400000000, -0.0011137600000000, -0.0002641000000000 ] - [ -0.0008389900000000, 0.0056830500000000, 0.0018564500000000 ] - [ 0.0007133500000000, -0.0041357600000000, -0.0025572800000000 ] - [ 0.0060865800000000, 0.0014379100000000, -0.0008087700000000 ] - [ -0.0025570100000000, -0.0036385600000000, 0.0010950400000000 ] - [ 0.0003557400000000, 0.0016857300000000, -0.0010117100000000 ] - [ -0.0001468000000000, -0.0011014700000000, 0.0004553300000000 ] - [ -0.0002941300000000, 0.0046440600000000, 0.0000203700000000 ] - [ -0.0002906600000000, -0.0013027800000000, 0.0000018800000000 ] - [ -0.0002910700000000, 0.0029788300000000, -0.0000034000000000 ] - [ -0.0002919600000000, -0.0012443400000000, 0.0000045400000000 ] - [ 0.0000053000000000, 0.0027882600000000, -0.0047526400000000 ] - [ -0.0011072500000000, -0.0032238100000000, 0.0022242500000000 ] - [ 0.0000745000000000, 0.0018292100000000, 0.0001626600000000 ] - [ -0.0002926700000000, -0.0012740500000000, 0.0002398000000000 ] - [ 0.0014803700000000, -0.0059758400000000, -0.0000431400000000 ] - [ -0.0009308600000000, -0.0061715000000000, 0.0000146800000000 ] - [ 0.0002093300000000, 0.0000337700000000, 0.0005711600000000 ] - [ 0.0003698500000000, 0.0000296800000000, -0.0005760300000000 ] - [ -0.0150883700000000, 0.0167460700000000, -0.0111897600000000 ] - [ 0.0149175600000000, 0.0166141200000000, 0.0110513600000000 ] - [ 0.0008868200000000, -0.0001418300000000, 0.0011869400000000 ] - [ -0.0008790600000000, -0.0001234500000000, -0.0011820200000000 ] - [ -0.0000403600000000, -0.0153382800000000, 0.0000223500000000 ] - [ 0.0000094400000000, 0.0052530300000000, -0.0000057700000000 ] - [ -0.0000234300000000, -0.0103002700000000, -0.0000612800000000 ] - [ -0.0000037900000000, 0.0051101100000000, 0.0000065000000000 ] - [ 0.0112441300000000, 0.0122177200000000, 0.0084018800000000 ] - [ -0.0110980300000000, 0.0121308500000000, -0.0082997800000000 ] - [ -0.0009691000000000, 0.0000780800000000, -0.0005511900000000 ] - [ 0.0009716600000000, 0.0000950300000000, 0.0005500000000000 ] - [ 0.0000454400000000, -0.0077506500000000, -0.0000014000000000 ] - [ -0.0000017400000000, 0.0035567100000000, 0.0000007300000000 ] - [ 0.0000033200000000, -0.0104063700000000, 0.0000182600000000 ] - [ 0.0000004000000000, 0.0037364400000000, -0.0000036500000000 ]- atom: 1 displacement: [ -0.0057645400733883, 0.0000000000000000, 0.0081712959646742 ] forces: - [ 0.0357940100000000, 0.0000000000000000, -0.0516268200000000 ] - [ 0.0002614800000000, 0.0000000000000000, 0.0000809500000000 ] - [ -0.0024969400000000, 0.0000000000000000, 0.0041236800000000 ] - [ -0.0002868700000000, 0.0000000000000000, 0.0007771000000000 ] - [ -0.0018144900000000, 0.0053273400000000, 0.0018071700000000 ] - [ -0.0018144900000000, -0.0053273400000000, 0.0018071700000000 ] - [ -0.0018111700000000, -0.0054496800000000, 0.0024721400000000 ] - [ -0.0018111700000000, 0.0054496800000000, 0.0024721400000000 ] - [ -0.0018847300000000, -0.0001874500000000, -0.0000254300000000 ] - [ -0.0018847300000000, 0.0001874500000000, -0.0000254300000000 ] - [ 0.0009542900000000, 0.0003949300000000, 0.0019458300000000 ] - [ 0.0009542900000000, -0.0003949300000000, 0.0019458300000000 ] - [ 0.0014973900000000, 0.0000000000000000, -0.0019945400000000 ] - [ 0.0000070600000000, 0.0000000000000000, -0.0005829000000000 ] - [ 0.0007321000000000, 0.0000000000000000, -0.0014385200000000 ] - [ 0.0000581800000000, 0.0000000000000000, -0.0003434300000000 ] - [ -0.0004172100000000, 0.0000838900000000, 0.0007283300000000 ] - [ 0.0010093100000000, 0.0041969300000000, 0.0043397500000000 ] - [ 0.0001382900000000, -0.0000754900000000, -0.0005103900000000 ] - [ 0.0008881400000000, -0.0019011100000000, -0.0024499300000000 ] - [ -0.0006513600000000, 0.0005578000000000, 0.0009776300000000 ] - [ -0.0048330500000000, 0.0042739900000000, -0.0024632800000000 ] - [ 0.0003974100000000, -0.0002544800000000, -0.0003701400000000 ] - [ 0.0029194200000000, -0.0020745100000000, -0.0013222100000000 ] - [ -0.0001645100000000, 0.0000185200000000, 0.0008646600000000 ] - [ -0.0010535500000000, -0.0018265900000000, 0.0043421500000000 ] - [ -0.0000615400000000, -0.0002706900000000, -0.0005943800000000 ] - [ 0.0011645900000000, 0.0022895100000000, -0.0040012700000000 ] - [ -0.0002748900000000, 0.0000314700000000, 0.0001614500000000 ] - [ -0.0002748900000000, -0.0000314700000000, 0.0001614500000000 ] - [ -0.0012502400000000, 0.0001918600000000, 0.0003248600000000 ] - [ -0.0012502400000000, -0.0001918600000000, 0.0003248600000000 ] - [ 0.0006431900000000, -0.0000882400000000, -0.0002729400000000 ] - [ 0.0019727700000000, 0.0020580900000000, -0.0020405900000000 ] - [ -0.0007426500000000, 0.0006871100000000, 0.0007833600000000 ] - [ -0.0041667600000000, -0.0016175500000000, 0.0048042500000000 ] - [ 0.0082776800000000, 0.0000000000000000, 0.0045744200000000 ] - [ 0.0005540300000000, 0.0000000000000000, 0.0001643400000000 ] - [ -0.0054083100000000, 0.0000000000000000, -0.0054104000000000 ] - [ 0.0000564100000000, 0.0000000000000000, -0.0000801700000000 ] - [ -0.0010535500000000, 0.0018265900000000, 0.0043421500000000 ] - [ -0.0001645100000000, -0.0000185200000000, 0.0008646600000000 ] - [ 0.0011645900000000, -0.0022895100000000, -0.0040012700000000 ] - [ -0.0000615400000000, 0.0002706900000000, -0.0005943800000000 ] - [ 0.0019727700000000, -0.0020580900000000, -0.0020405900000000 ] - [ 0.0006431900000000, 0.0000882400000000, -0.0002729400000000 ] - [ -0.0041667600000000, 0.0016175500000000, 0.0048042500000000 ] - [ -0.0007426500000000, -0.0006871100000000, 0.0007833600000000 ] - [ 0.0010093100000000, -0.0041969300000000, 0.0043397500000000 ] - [ -0.0004172100000000, -0.0000838900000000, 0.0007283300000000 ] - [ 0.0008881400000000, 0.0019011100000000, -0.0024499300000000 ] - [ 0.0001382900000000, 0.0000754900000000, -0.0005103900000000 ] - [ -0.0072694700000000, 0.0000000000000000, 0.0093665400000000 ] - [ -0.0003976700000000, 0.0000000000000000, -0.0000154000000000 ] - [ 0.0054361000000000, 0.0000000000000000, -0.0058795500000000 ] - [ -0.0002045800000000, 0.0000000000000000, 0.0000195700000000 ] - [ -0.0048330500000000, -0.0042739900000000, -0.0024632800000000 ] - [ -0.0006513600000000, -0.0005578000000000, 0.0009776300000000 ] - [ 0.0029194200000000, 0.0020745100000000, -0.0013222100000000 ] - [ 0.0003974100000000, 0.0002544800000000, -0.0003701400000000 ] - [ -0.0014424700000000, -0.0010094600000000, 0.0038927700000000 ] - [ -0.0014424700000000, 0.0010094600000000, 0.0038927700000000 ] - [ 0.0007400700000000, 0.0000332900000000, -0.0011150000000000 ] - [ 0.0007400700000000, -0.0000332900000000, -0.0011150000000000 ] - [ 0.0074621200000000, -0.0017489500000000, -0.0099645800000000 ] - [ 0.0074621200000000, 0.0017489500000000, -0.0099645800000000 ] - [ -0.0020630800000000, 0.0003143200000000, 0.0025184100000000 ] - [ -0.0020630800000000, -0.0003143200000000, 0.0025184100000000 ] - [ -0.0260643500000000, 0.0000000000000000, 0.0013517000000000 ] - [ -0.0007638200000000, 0.0000000000000000, -0.0000955000000000 ] - [ 0.0085034600000000, 0.0000000000000000, 0.0265709800000000 ] - [ 0.0007904100000000, 0.0000000000000000, -0.0001096100000000 ] - [ 0.0049127000000000, -0.0005414900000000, -0.0072569000000000 ] - [ 0.0049127000000000, 0.0005414900000000, -0.0072569000000000 ] - [ -0.0013763400000000, 0.0002689400000000, 0.0024955300000000 ] - [ -0.0013763400000000, -0.0002689400000000, 0.0024955300000000 ] - [ -0.0219110200000000, 0.0000000000000000, 0.0004812900000000 ] - [ -0.0004345300000000, 0.0000000000000000, -0.0004275100000000 ] - [ 0.0045095100000000, 0.0000000000000000, 0.0196812400000000 ] - [ 0.0003712400000000, 0.0000000000000000, 0.0006700200000000 ]- atom: 1 displacement: [ 0.0057645400733883, 0.0000000000000000, -0.0081712959646742 ] forces: - [ -0.0355467300000000, 0.0000000000000000, 0.0518605700000000 ] - [ -0.0003475500000000, 0.0000000000000000, 0.0008071800000000 ] - [ 0.0024170000000000, 0.0000000000000000, -0.0032330100000000 ] - [ 0.0002048800000000, 0.0000000000000000, 0.0001155000000000 ] - [ 0.0018893000000000, -0.0052694100000000, -0.0026911800000000 ] - [ 0.0018893000000000, 0.0052694100000000, -0.0026911800000000 ] - [ 0.0018928700000000, 0.0054894000000000, -0.0033700100000000 ] - [ 0.0018928700000000, -0.0054894000000000, -0.0033700100000000 ] - [ 0.0017999500000000, 0.0001913300000000, 0.0009133600000000 ] - [ 0.0017999500000000, -0.0001913300000000, 0.0009133600000000 ] - [ -0.0010353100000000, -0.0003909600000000, -0.0010390000000000 ] - [ -0.0010353100000000, 0.0003909600000000, -0.0010390000000000 ] - [ -0.0014292900000000, 0.0000000000000000, 0.0010855700000000 ] - [ 0.0000728400000000, 0.0000000000000000, -0.0003109500000000 ] - [ -0.0006157100000000, 0.0000000000000000, 0.0005675600000000 ] - [ 0.0000280500000000, 0.0000000000000000, -0.0005447500000000 ] - [ 0.0004293600000000, 0.0000282600000000, -0.0007819400000000 ] - [ -0.0010356600000000, -0.0040963000000000, -0.0043588200000000 ] - [ -0.0001085700000000, 0.0001676700000000, 0.0004436500000000 ] - [ -0.0008625200000000, 0.0020101800000000, 0.0023917100000000 ] - [ 0.0006246000000000, -0.0006566400000000, -0.0009135400000000 ] - [ 0.0047485700000000, -0.0043390200000000, 0.0025482500000000 ] - [ -0.0004204600000000, 0.0001495600000000, 0.0004243600000000 ] - [ -0.0029498300000000, 0.0019798800000000, 0.0013746200000000 ] - [ 0.0001917800000000, -0.0001169300000000, -0.0009279200000000 ] - [ 0.0013094900000000, 0.0016500100000000, -0.0044486000000000 ] - [ 0.0000821100000000, 0.0001651900000000, 0.0005338300000000 ] - [ -0.0011386300000000, -0.0023806100000000, 0.0039198400000000 ] - [ -0.0002942900000000, -0.0000346500000000, -0.0001426900000000 ] - [ -0.0002942900000000, 0.0000346500000000, -0.0001426900000000 ] - [ 0.0006445300000000, -0.0001894500000000, -0.0003297800000000 ] - [ 0.0006445300000000, 0.0001894500000000, -0.0003297800000000 ] - [ -0.0006670500000000, 0.0001793500000000, 0.0003380600000000 ] - [ -0.0019810100000000, -0.0019377500000000, 0.0020890200000000 ] - [ 0.0007235800000000, -0.0005714500000000, -0.0007315000000000 ] - [ 0.0040745400000000, 0.0015628700000000, -0.0049354700000000 ] - [ -0.0076501500000000, 0.0000000000000000, -0.0045564700000000 ] - [ 0.0000281100000000, 0.0000000000000000, -0.0001711900000000 ] - [ 0.0059881100000000, 0.0000000000000000, 0.0053905700000000 ] - [ 0.0005246200000000, 0.0000000000000000, 0.0000706600000000 ] - [ 0.0013094900000000, -0.0016500100000000, -0.0044486000000000 ] - [ 0.0001917800000000, 0.0001169300000000, -0.0009279200000000 ] - [ -0.0011386300000000, 0.0023806100000000, 0.0039198400000000 ] - [ 0.0000821100000000, -0.0001651900000000, 0.0005338300000000 ] - [ -0.0019810100000000, 0.0019377500000000, 0.0020890200000000 ] - [ -0.0006670500000000, -0.0001793500000000, 0.0003380600000000 ] - [ 0.0040745400000000, -0.0015628700000000, -0.0049354700000000 ] - [ 0.0007235800000000, 0.0005714500000000, -0.0007315000000000 ] - [ -0.0010356600000000, 0.0040963000000000, -0.0043588200000000 ] - [ 0.0004293600000000, -0.0000282600000000, -0.0007819400000000 ] - [ -0.0008625200000000, -0.0020101800000000, 0.0023917100000000 ] - [ -0.0001085700000000, -0.0001676700000000, 0.0004436500000000 ] - [ 0.0062036900000000, 0.0000000000000000, -0.0084505900000000 ] - [ -0.0001868600000000, 0.0000000000000000, 0.0000267200000000 ] - [ -0.0060442900000000, 0.0000000000000000, 0.0059181000000000 ] - [ -0.0003758300000000, 0.0000000000000000, -0.0000148900000000 ] - [ 0.0047485700000000, 0.0043390200000000, 0.0025482500000000 ] - [ 0.0006246000000000, 0.0006566400000000, -0.0009135400000000 ] - [ -0.0029498300000000, -0.0019798800000000, 0.0013746200000000 ] - [ -0.0004204600000000, -0.0001495600000000, 0.0004243600000000 ] - [ 0.0020159000000000, 0.0010513900000000, -0.0038871200000000 ] - [ 0.0020159000000000, -0.0010513900000000, -0.0038871200000000 ] - [ -0.0001586300000000, -0.0000377000000000, 0.0011057200000000 ] - [ -0.0001586300000000, 0.0000377000000000, 0.0011057200000000 ] - [ -0.0073731700000000, 0.0016639400000000, 0.0099817500000000 ] - [ -0.0073731700000000, -0.0016639400000000, 0.0099817500000000 ] - [ 0.0020466100000000, -0.0002919100000000, -0.0025148500000000 ] - [ 0.0020466100000000, 0.0002919100000000, -0.0025148500000000 ] - [ 0.0262736300000000, 0.0000000000000000, -0.0013136200000000 ] - [ 0.0007616800000000, 0.0000000000000000, 0.0001027400000000 ] - [ -0.0083992700000000, 0.0000000000000000, -0.0262958600000000 ] - [ -0.0007792200000000, 0.0000000000000000, 0.0001040400000000 ] - [ -0.0049569400000000, 0.0005008600000000, 0.0072034700000000 ] - [ -0.0049569400000000, -0.0005008600000000, 0.0072034700000000 ] - [ 0.0013845500000000, -0.0002571200000000, -0.0024822700000000 ] - [ 0.0013845500000000, 0.0002571200000000, -0.0024822700000000 ] - [ 0.0216572000000000, 0.0000000000000000, -0.0005267900000000 ] - [ 0.0004389700000000, 0.0000000000000000, 0.0004103200000000 ] - [ -0.0045944400000000, 0.0000000000000000, -0.0198130400000000 ] - [ -0.0003808300000000, 0.0000000000000000, -0.0006543200000000 ]- atom: 17 displacement: [ 0.0099999966200928, 0.0000000000000000, -0.0000082218083623 ] forces: - [ -0.0005351300000000, 0.0025779200000000, -0.0004245800000000 ] - [ -0.0044567700000000, -0.0060646700000000, -0.0014515200000000 ] - [ -0.0001307700000000, 0.0001601200000000, 0.0005361000000000 ] - [ -0.0000285300000000, -0.0003475200000000, 0.0015355700000000 ] - [ 0.0033120800000000, -0.0000283700000000, -0.0039872200000000 ] - [ 0.0012011200000000, 0.0011011800000000, -0.0004128200000000 ] - [ -0.0037715300000000, -0.0000785600000000, 0.0004635700000000 ] - [ -0.0005597400000000, 0.0002773800000000, -0.0003675000000000 ] - [ 0.0019605800000000, -0.0018343900000000, 0.0005670300000000 ] - [ -0.0004145000000000, 0.0014769300000000, -0.0000353300000000 ] - [ 0.0003862200000000, -0.0001398500000000, 0.0021526100000000 ] - [ 0.0002270700000000, 0.0003541000000000, 0.0005484500000000 ] - [ -0.0004867100000000, 0.0000719800000000, -0.0000221200000000 ] - [ -0.0017267100000000, -0.0002793200000000, 0.0007241600000000 ] - [ 0.0013492500000000, 0.0007193100000000, -0.0004199100000000 ] - [ 0.0049732200000000, -0.0007712800000000, -0.0020204500000000 ] - [ -0.0702516100000000, 0.0497428400000000, 0.0341295100000000 ] - [ -0.0003532000000000, -0.0007315900000000, 0.0001004700000000 ] - [ 0.0011614600000000, -0.0001548200000000, -0.0019173500000000 ] - [ 0.0021657900000000, -0.0035502000000000, -0.0032339700000000 ] - [ -0.0005392500000000, 0.0015967900000000, 0.0012418700000000 ] - [ 0.0001982500000000, -0.0006608900000000, -0.0001259700000000 ] - [ 0.0027166200000000, -0.0003121500000000, 0.0025477400000000 ] - [ 0.0002357300000000, -0.0004794800000000, 0.0000241500000000 ] - [ 0.0031796400000000, 0.0012044200000000, -0.0008437800000000 ] - [ 0.0005880400000000, -0.0002704500000000, 0.0000024500000000 ] - [ -0.0002792100000000, 0.0004798700000000, 0.0004072100000000 ] - [ -0.0004960600000000, -0.0009215700000000, 0.0003964700000000 ] - [ 0.0035982800000000, 0.0001552600000000, -0.0013531100000000 ] - [ 0.0005918400000000, -0.0005339900000000, -0.0000915900000000 ] - [ -0.0091703800000000, 0.0023394000000000, -0.0011853000000000 ] - [ -0.0008682700000000, -0.0010049700000000, 0.0001094300000000 ] - [ 0.0016329600000000, 0.0027661800000000, -0.0038666000000000 ] - [ -0.0002639900000000, -0.0013610600000000, 0.0004504700000000 ] - [ 0.0132861600000000, 0.0042416600000000, -0.0169385300000000 ] - [ -0.0008295400000000, -0.0014925800000000, 0.0007821700000000 ] - [ 0.0004606900000000, 0.0011275300000000, 0.0002196600000000 ] - [ 0.0057196700000000, -0.0027976700000000, 0.0005031300000000 ] - [ -0.0004358700000000, -0.0002776800000000, -0.0004773100000000 ] - [ -0.0013729100000000, 0.0005854700000000, 0.0004390300000000 ] - [ 0.0028577900000000, -0.0001743900000000, -0.0000839000000000 ] - [ 0.0028573300000000, -0.0005678000000000, -0.0004664700000000 ] - [ -0.0003815800000000, 0.0002585200000000, 0.0005972600000000 ] - [ -0.0003820900000000, 0.0002399400000000, 0.0006112300000000 ] - [ -0.0002834600000000, 0.0007394300000000, -0.0005114600000000 ] - [ 0.0053377500000000, -0.0093907400000000, -0.0087447400000000 ] - [ 0.0134392500000000, -0.0152138100000000, -0.0109046300000000 ] - [ -0.0010243000000000, 0.0012714300000000, 0.0003125500000000 ] - [ -0.0085732500000000, -0.0037189500000000, 0.0035637800000000 ] - [ -0.0031416000000000, -0.0030489300000000, 0.0035545900000000 ] - [ 0.0009414400000000, 0.0010363600000000, -0.0014347300000000 ] - [ 0.0015336900000000, 0.0014359900000000, -0.0023398800000000 ] - [ -0.0007551200000000, -0.0004253100000000, 0.0004081600000000 ] - [ -0.0061142000000000, 0.0022616200000000, 0.0002706100000000 ] - [ 0.0011093200000000, -0.0003456700000000, 0.0004780200000000 ] - [ 0.0021993600000000, 0.0001989600000000, 0.0008426700000000 ] - [ -0.0000510200000000, -0.0006934100000000, 0.0006115700000000 ] - [ -0.0000508600000000, 0.0000225500000000, 0.0002981600000000 ] - [ 0.0007798400000000, 0.0014155100000000, 0.0013676500000000 ] - [ 0.0007846900000000, -0.0008542800000000, 0.0006141500000000 ] - [ 0.0207716500000000, -0.0120015600000000, 0.0081482000000000 ] - [ -0.0001743600000000, -0.0001030100000000, 0.0001144500000000 ] - [ 0.0001594000000000, 0.0004258300000000, -0.0011664000000000 ] - [ 0.0002661300000000, -0.0006231100000000, -0.0008359200000000 ] - [ 0.0301590700000000, -0.0159282000000000, -0.0116274800000000 ] - [ 0.0035069600000000, 0.0024281900000000, -0.0017724200000000 ] - [ -0.0028039700000000, -0.0030450800000000, 0.0042009000000000 ] - [ -0.0042171800000000, 0.0049626200000000, 0.0040335000000000 ] - [ -0.0026955100000000, -0.0003411300000000, -0.0005042200000000 ] - [ -0.0086792200000000, 0.0013598500000000, -0.0030740600000000 ] - [ 0.0009379200000000, 0.0012785100000000, -0.0003874300000000 ] - [ 0.0019172000000000, -0.0013592500000000, -0.0004924700000000 ] - [ -0.0087544500000000, -0.0007553800000000, -0.0035300800000000 ] - [ -0.0008184800000000, 0.0004538200000000, -0.0000881900000000 ] - [ 0.0017044000000000, -0.0015273200000000, -0.0017372300000000 ] - [ 0.0003270000000000, 0.0011504100000000, -0.0004186600000000 ] - [ 0.0018343500000000, 0.0010200400000000, -0.0012666600000000 ] - [ 0.0074873500000000, 0.0020188500000000, 0.0030156500000000 ] - [ -0.0018672300000000, 0.0043951200000000, 0.0045713900000000 ] - [ -0.0021180000000000, -0.0051414800000000, 0.0050663200000000 ]- atom: 17 displacement: [ -0.0099999966200928, 0.0000000000000000, 0.0000082218083623 ] forces: - [ 0.0004659900000000, -0.0025675400000000, 0.0013185900000000 ] - [ 0.0044520800000000, 0.0060722500000000, 0.0023392200000000 ] - [ 0.0000498800000000, -0.0001554600000000, 0.0003598700000000 ] - [ -0.0000548400000000, 0.0003400500000000, -0.0006306800000000 ] - [ -0.0032064300000000, 0.0000007500000000, 0.0031344500000000 ] - [ -0.0011082800000000, -0.0010973200000000, -0.0004788800000000 ] - [ 0.0038554300000000, 0.0000838600000000, -0.0013420200000000 ] - [ 0.0006457600000000, -0.0002797900000000, -0.0005190300000000 ] - [ -0.0024330000000000, 0.0016320700000000, 0.0003702500000000 ] - [ 0.0003204400000000, -0.0014757700000000, 0.0009208100000000 ] - [ -0.0004574000000000, 0.0001428000000000, -0.0012694200000000 ] - [ -0.0003112800000000, -0.0003564300000000, 0.0003430300000000 ] - [ 0.0005709000000000, -0.0000608000000000, -0.0008805500000000 ] - [ 0.0018041200000000, 0.0002702600000000, -0.0016282900000000 ] - [ -0.0012741600000000, -0.0007276500000000, -0.0004760600000000 ] - [ -0.0049211200000000, 0.0008032500000000, 0.0010952900000000 ] - [ 0.0698278200000000, -0.0480876100000000, -0.0332952100000000 ] - [ 0.0003776100000000, 0.0008316600000000, -0.0001622200000000 ] - [ -0.0011343600000000, 0.0002569700000000, 0.0018529000000000 ] - [ -0.0021360400000000, 0.0036471900000000, 0.0031744500000000 ] - [ 0.0005044000000000, -0.0016831700000000, -0.0011658600000000 ] - [ -0.0002233600000000, 0.0005607400000000, 0.0001913900000000 ] - [ -0.0027538300000000, 0.0002239500000000, -0.0025209900000000 ] - [ -0.0002527000000000, 0.0003690400000000, 0.0000290000000000 ] - [ -0.0031583700000000, -0.0012936300000000, 0.0007787000000000 ] - [ -0.0005675000000000, 0.0001608700000000, -0.0000590200000000 ] - [ 0.0003028900000000, -0.0005777000000000, -0.0004705800000000 ] - [ 0.0005191500000000, 0.0008193200000000, -0.0004558600000000 ] - [ -0.0041733800000000, -0.0001533700000000, 0.0014007400000000 ] - [ -0.0011639800000000, 0.0005322100000000, 0.0001066700000000 ] - [ 0.0085936600000000, -0.0022667000000000, 0.0012812900000000 ] - [ 0.0002833500000000, 0.0010032000000000, -0.0001003600000000 ] - [ -0.0016410400000000, -0.0026268900000000, 0.0039253200000000 ] - [ 0.0002426900000000, 0.0014553300000000, -0.0003914100000000 ] - [ -0.0132147300000000, -0.0040962500000000, 0.0168107100000000 ] - [ 0.0008017100000000, 0.0015908500000000, -0.0007252400000000 ] - [ 0.0001317100000000, -0.0011492100000000, -0.0002250000000000 ] - [ -0.0051703300000000, 0.0028724700000000, -0.0004706600000000 ] - [ 0.0010230800000000, 0.0002770000000000, 0.0004752800000000 ] - [ 0.0019465400000000, -0.0005850700000000, -0.0004467300000000 ] - [ -0.0028378000000000, 0.0002518300000000, 0.0000160500000000 ] - [ -0.0028378500000000, 0.0006856800000000, 0.0004055600000000 ] - [ 0.0004066300000000, -0.0001548100000000, -0.0006596400000000 ] - [ 0.0004061900000000, -0.0001401400000000, -0.0006684900000000 ] - [ 0.0002707400000000, -0.0008462400000000, 0.0005714500000000 ] - [ -0.0053378900000000, 0.0092233400000000, 0.0087439200000000 ] - [ -0.0133835300000000, 0.0151321300000000, 0.0109729600000000 ] - [ 0.0009901500000000, -0.0013612200000000, -0.0002449700000000 ] - [ 0.0085885000000000, 0.0037335300000000, -0.0036047800000000 ] - [ 0.0031561700000000, 0.0029178800000000, -0.0036052500000000 ] - [ -0.0009188100000000, -0.0011454100000000, 0.0013818100000000 ] - [ -0.0014990500000000, -0.0015236500000000, 0.0022664100000000 ] - [ 0.0001697400000000, 0.0004246600000000, -0.0003988400000000 ] - [ 0.0055149800000000, -0.0022642100000000, -0.0002696400000000 ] - [ -0.0017017200000000, 0.0003387700000000, -0.0004829800000000 ] - [ -0.0027891000000000, -0.0001912400000000, -0.0008443000000000 ] - [ 0.0000222700000000, 0.0007829200000000, -0.0005382000000000 ] - [ 0.0000230500000000, 0.0000776800000000, -0.0002350200000000 ] - [ -0.0008009900000000, -0.0013300000000000, -0.0013281700000000 ] - [ -0.0007947800000000, 0.0009673700000000, -0.0005669200000000 ] - [ -0.0199614700000000, 0.0118360900000000, -0.0080369400000000 ] - [ 0.0007503300000000, 0.0001027400000000, -0.0001233300000000 ] - [ 0.0004346700000000, -0.0004260700000000, 0.0011595300000000 ] - [ 0.0003149100000000, 0.0006188000000000, 0.0008155300000000 ] - [ -0.0297081900000000, 0.0144312200000000, 0.0106061600000000 ] - [ -0.0034821300000000, -0.0024127700000000, 0.0017571200000000 ] - [ 0.0027758200000000, 0.0030388500000000, -0.0042190000000000 ] - [ 0.0041819900000000, -0.0049329700000000, -0.0040071800000000 ] - [ 0.0026946700000000, 0.0003748100000000, 0.0005255400000000 ] - [ 0.0087075500000000, -0.0014010600000000, 0.0031096100000000 ] - [ -0.0009320200000000, -0.0012727100000000, 0.0003769100000000 ] - [ -0.0018915100000000, 0.0013529500000000, 0.0004912300000000 ] - [ 0.0087405200000000, 0.0007464300000000, 0.0034893500000000 ] - [ 0.0008210600000000, -0.0004583900000000, 0.0000755500000000 ] - [ -0.0017432100000000, 0.0015326100000000, 0.0017517000000000 ] - [ -0.0003295900000000, -0.0011479400000000, 0.0004265400000000 ] - [ -0.0018558000000000, -0.0010222200000000, 0.0012786900000000 ] - [ -0.0075300800000000, -0.0019667600000000, -0.0029602700000000 ] - [ 0.0018795100000000, -0.0043901300000000, -0.0045729100000000 ] - [ 0.0021229600000000, 0.0051119400000000, -0.0050486400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017322800000000, -0.0035895600000000, 0.0017340800000000 ] - [ -0.0056016200000000, 0.0014903300000000, 0.0015844500000000 ] - [ -0.0001024700000000, -0.0010508800000000, 0.0002534300000000 ] - [ -0.0000129500000000, 0.0017376900000000, -0.0019309600000000 ] - [ -0.0004262900000000, 0.0026859000000000, 0.0045155400000000 ] - [ -0.0017741900000000, -0.0032764700000000, -0.0009860100000000 ] - [ 0.0022281000000000, 0.0017687500000000, -0.0013843500000000 ] - [ 0.0002700400000000, -0.0013180000000000, -0.0005310600000000 ] - [ -0.0020568500000000, 0.0068906400000000, 0.0012300600000000 ] - [ 0.0013857900000000, -0.0033277100000000, 0.0013654700000000 ] - [ 0.0005335900000000, 0.0015873700000000, -0.0020076800000000 ] - [ -0.0002782100000000, -0.0013808400000000, 0.0005481200000000 ] - [ 0.0001301200000000, -0.0010647800000000, -0.0002205500000000 ] - [ 0.0020530900000000, 0.0014167300000000, -0.0014734400000000 ] - [ -0.0015918300000000, -0.0040873200000000, -0.0023637700000000 ] - [ -0.0008750200000000, 0.0057356400000000, 0.0007745300000000 ] - [ 0.0481437200000000, -0.1110804600000000, -0.0513532400000000 ] - [ -0.0007697100000000, 0.0056296900000000, 0.0008494600000000 ] - [ -0.0001932800000000, -0.0017234800000000, 0.0000085600000000 ] - [ -0.0035808500000000, 0.0068702700000000, 0.0052591900000000 ] - [ 0.0016254100000000, -0.0034957200000000, -0.0011247300000000 ] - [ -0.0006217500000000, 0.0018648500000000, 0.0007330400000000 ] - [ -0.0002714100000000, -0.0037026400000000, -0.0012390700000000 ] - [ -0.0004374700000000, 0.0023957500000000, 0.0008380900000000 ] - [ -0.0012342700000000, -0.0034114700000000, 0.0008757300000000 ] - [ 0.0002280300000000, 0.0020665100000000, -0.0007547400000000 ] - [ -0.0005177400000000, -0.0032223300000000, 0.0010312900000000 ] - [ 0.0008817100000000, 0.0021351300000000, -0.0006222300000000 ] - [ -0.0024362900000000, -0.0009194500000000, -0.0022140200000000 ] - [ -0.0017392200000000, 0.0013094200000000, -0.0001381400000000 ] - [ 0.0071632600000000, 0.0020855800000000, 0.0178702300000000 ] - [ -0.0002055700000000, 0.0023055100000000, -0.0007356500000000 ] - [ -0.0026983500000000, -0.0100094400000000, 0.0048818900000000 ] - [ 0.0013911400000000, 0.0052029000000000, -0.0025242300000000 ] - [ -0.0042223900000000, -0.0117145400000000, 0.0042292300000000 ] - [ 0.0015316900000000, 0.0039823000000000, -0.0016444400000000 ] - [ 0.0012137200000000, 0.0012368600000000, 0.0001551500000000 ] - [ -0.0081466900000000, -0.0010615500000000, -0.0043850300000000 ] - [ 0.0009022400000000, 0.0008009800000000, 0.0011442700000000 ] - [ 0.0023764500000000, -0.0009881300000000, -0.0008847700000000 ] - [ -0.0006117300000000, 0.0009818500000000, 0.0000146000000000 ] - [ -0.0001993900000000, 0.0009723100000000, -0.0000934400000000 ] - [ 0.0001989300000000, 0.0007187600000000, 0.0002154500000000 ] - [ 0.0002201000000000, 0.0007081200000000, 0.0000392900000000 ] - [ 0.0007777500000000, -0.0013009400000000, -0.0013620500000000 ] - [ -0.0093119400000000, 0.0193783800000000, 0.0174776100000000 ] - [ -0.0151386000000000, 0.0233644200000000, 0.0153380800000000 ] - [ 0.0013097800000000, 0.0006124600000000, -0.0013236900000000 ] - [ 0.0037021400000000, 0.0300122000000000, -0.0038136600000000 ] - [ 0.0029853900000000, 0.0106260300000000, -0.0038918200000000 ] - [ -0.0010760300000000, -0.0015270400000000, 0.0011740100000000 ] - [ -0.0014697500000000, -0.0005679800000000, 0.0017969200000000 ] - [ -0.0008041700000000, 0.0010383800000000, -0.0011280500000000 ] - [ 0.0073857000000000, -0.0012039300000000, 0.0046415900000000 ] - [ -0.0010931300000000, 0.0007926000000000, -0.0000302600000000 ] - [ -0.0017741700000000, -0.0007459900000000, -0.0007706700000000 ] - [ 0.0000163300000000, 0.0006880900000000, -0.0002209300000000 ] - [ 0.0007255500000000, 0.0006822100000000, -0.0000711000000000 ] - [ 0.0008997200000000, 0.0008082200000000, 0.0005532100000000 ] - [ -0.0013870900000000, 0.0007974100000000, -0.0005725500000000 ] - [ -0.0168359400000000, 0.0018908600000000, -0.0080109000000000 ] - [ 0.0012924800000000, 0.0016540700000000, -0.0000265700000000 ] - [ 0.0017370000000000, -0.0009570300000000, 0.0016136300000000 ] - [ 0.0006040700000000, 0.0015518900000000, 0.0017584500000000 ] - [ -0.0112361700000000, 0.0363717300000000, 0.0106892000000000 ] - [ -0.0052121200000000, -0.0115366800000000, 0.0042135400000000 ] - [ 0.0026814500000000, 0.0062135300000000, -0.0015619600000000 ] - [ 0.0068959000000000, -0.0119739600000000, -0.0064100700000000 ] - [ 0.0000706500000000, -0.0038870200000000, -0.0003962900000000 ] - [ 0.0057025600000000, 0.0034827700000000, 0.0041775600000000 ] - [ -0.0001850400000000, -0.0032015500000000, -0.0001158100000000 ] - [ -0.0046344600000000, 0.0035422100000000, -0.0032333600000000 ] - [ 0.0047372400000000, 0.0027072700000000, 0.0031049700000000 ] - [ 0.0002370300000000, -0.0025105100000000, 0.0000595100000000 ] - [ -0.0053799600000000, 0.0030372300000000, -0.0028182400000000 ] - [ 0.0000091300000000, -0.0032558200000000, -0.0001266500000000 ] - [ -0.0032127100000000, -0.0082266600000000, 0.0068959700000000 ] - [ 0.0005205800000000, 0.0105947500000000, -0.0012250200000000 ] - [ 0.0027354400000000, -0.0069316900000000, -0.0062775100000000 ] - [ 0.0001215500000000, 0.0038250400000000, -0.0016466900000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018333800000000, 0.0035886700000000, -0.0008497400000000 ] - [ 0.0055671700000000, -0.0014242500000000, -0.0006859000000000 ] - [ 0.0000193900000000, 0.0010461900000000, 0.0006372900000000 ] - [ -0.0000677700000000, -0.0017300800000000, 0.0028168000000000 ] - [ 0.0005337300000000, -0.0027377800000000, -0.0053472700000000 ] - [ 0.0018526300000000, 0.0032779500000000, 0.0000865000000000 ] - [ -0.0021462200000000, -0.0017804700000000, 0.0004917000000000 ] - [ -0.0001899200000000, 0.0013232400000000, -0.0003609700000000 ] - [ 0.0017784500000000, -0.0069989000000000, -0.0003188500000000 ] - [ -0.0014551700000000, 0.0033294600000000, -0.0004729200000000 ] - [ -0.0006159700000000, -0.0015950400000000, 0.0028964500000000 ] - [ 0.0001947100000000, 0.0013833500000000, 0.0003483000000000 ] - [ -0.0000442700000000, 0.0010603900000000, -0.0006708300000000 ] - [ -0.0019670400000000, -0.0014098700000000, 0.0005804400000000 ] - [ 0.0016901500000000, 0.0040886700000000, 0.0014920400000000 ] - [ 0.0008884700000000, -0.0055626500000000, -0.0018732000000000 ] - [ -0.0496257700000000, 0.1127815300000000, 0.0525276100000000 ] - [ 0.0007918300000000, -0.0055320500000000, -0.0009089400000000 ] - [ 0.0002181600000000, 0.0018228200000000, -0.0000713300000000 ] - [ 0.0036081300000000, -0.0067746200000000, -0.0053217800000000 ] - [ -0.0016525500000000, 0.0033934600000000, 0.0011835200000000 ] - [ 0.0005988300000000, -0.0019645300000000, -0.0006709000000000 ] - [ 0.0002667500000000, 0.0035902000000000, 0.0013136100000000 ] - [ 0.0004097000000000, -0.0024943300000000, -0.0007777600000000 ] - [ 0.0012626400000000, 0.0033070600000000, -0.0009371700000000 ] - [ -0.0002021800000000, -0.0021670400000000, 0.0006956000000000 ] - [ 0.0005382200000000, 0.0031160400000000, -0.0010967200000000 ] - [ -0.0008582100000000, -0.0022349400000000, 0.0005623200000000 ] - [ 0.0018591200000000, 0.0009216500000000, 0.0022059100000000 ] - [ 0.0011533800000000, -0.0013118600000000, 0.0001451400000000 ] - [ -0.0078140300000000, -0.0020157200000000, -0.0179358900000000 ] - [ -0.0003850100000000, -0.0023109300000000, 0.0007327500000000 ] - [ 0.0026864800000000, 0.0100690000000000, -0.0048332400000000 ] - [ -0.0014205500000000, -0.0051169900000000, 0.0026001000000000 ] - [ 0.0041089000000000, 0.0118819800000000, -0.0040783000000000 ] - [ -0.0015487900000000, -0.0038763100000000, 0.0016949700000000 ] - [ -0.0006413700000000, -0.0012275100000000, -0.0001665600000000 ] - [ 0.0087251600000000, 0.0010513600000000, 0.0043758900000000 ] - [ -0.0003194900000000, -0.0007992700000000, -0.0011574800000000 ] - [ -0.0017858200000000, 0.0009852200000000, 0.0008783200000000 ] - [ 0.0006415800000000, -0.0008710400000000, -0.0000720900000000 ] - [ 0.0002269900000000, -0.0008803900000000, 0.0000288600000000 ] - [ -0.0001814200000000, -0.0006030900000000, -0.0002785700000000 ] - [ -0.0001936000000000, -0.0006134800000000, -0.0001056400000000 ] - [ -0.0008056800000000, 0.0012201700000000, 0.0014313500000000 ] - [ 0.0092736700000000, -0.0194109500000000, -0.0173660200000000 ] - [ 0.0151828500000000, -0.0236838100000000, -0.0153546100000000 ] - [ -0.0013205200000000, -0.0007287200000000, 0.0013721600000000 ] - [ -0.0037445700000000, -0.0305998900000000, 0.0038339200000000 ] - [ -0.0029752600000000, -0.0106151800000000, 0.0038673400000000 ] - [ 0.0011037600000000, 0.0014354300000000, -0.0012390200000000 ] - [ 0.0014873900000000, 0.0004541500000000, -0.0018473100000000 ] - [ 0.0002280100000000, -0.0010343900000000, 0.0011455300000000 ] - [ -0.0079730300000000, 0.0011877700000000, -0.0046450000000000 ] - [ 0.0005152100000000, -0.0007908600000000, 0.0000393300000000 ] - [ 0.0011935000000000, 0.0007405600000000, 0.0007799300000000 ] - [ -0.0000381400000000, -0.0005802700000000, 0.0002792500000000 ] - [ -0.0007503200000000, -0.0005860200000000, 0.0001326500000000 ] - [ -0.0009223800000000, -0.0006947600000000, -0.0004862000000000 ] - [ 0.0013594100000000, -0.0007054300000000, 0.0006346600000000 ] - [ 0.0174763800000000, -0.0018063600000000, 0.0080745900000000 ] - [ -0.0006978300000000, -0.0016551500000000, 0.0000250900000000 ] - [ -0.0011545800000000, 0.0009602500000000, -0.0016215400000000 ] - [ -0.0000174800000000, -0.0015542700000000, -0.0017613700000000 ] - [ 0.0133537600000000, -0.0383710800000000, -0.0126209500000000 ] - [ 0.0051764300000000, 0.0115221600000000, -0.0041797000000000 ] - [ -0.0026872700000000, -0.0062437300000000, 0.0015760400000000 ] - [ -0.0068958300000000, 0.0119880800000000, 0.0063996600000000 ] - [ -0.0000718600000000, 0.0038654100000000, 0.0003982900000000 ] - [ -0.0057132600000000, -0.0034545000000000, -0.0041747800000000 ] - [ 0.0001840000000000, 0.0031860700000000, 0.0001163100000000 ] - [ 0.0046421500000000, -0.0035261000000000, 0.0032444600000000 ] - [ -0.0047398100000000, -0.0027106800000000, -0.0031051700000000 ] - [ -0.0002407700000000, 0.0025163800000000, -0.0000611700000000 ] - [ 0.0053841500000000, -0.0030448600000000, 0.0028081100000000 ] - [ -0.0000041300000000, 0.0032607500000000, 0.0001276700000000 ] - [ 0.0032470500000000, 0.0082523000000000, -0.0069601100000000 ] - [ -0.0008545600000000, -0.0099222500000000, 0.0018958200000000 ] - [ -0.0027513800000000, 0.0069371500000000, 0.0063065300000000 ] - [ -0.0001211100000000, -0.0037925000000000, 0.0016322200000000 ]- atom: 17 displacement: [ -0.0057645400733883, 0.0000000000000000, 0.0081712959646742 ] forces: - [ 0.0006557300000000, -0.0024039200000000, 0.0019855500000000 ] - [ 0.0014754200000000, 0.0041474200000000, 0.0051054800000000 ] - [ -0.0000305700000000, -0.0004852000000000, -0.0001097700000000 ] - [ -0.0005780800000000, 0.0009991500000000, -0.0029731600000000 ] - [ -0.0044736700000000, 0.0039136900000000, -0.0027199000000000 ] - [ -0.0021829700000000, -0.0024335300000000, -0.0006176800000000 ] - [ 0.0041076900000000, -0.0000630800000000, -0.0009969400000000 ] - [ 0.0006651400000000, -0.0003287300000000, -0.0006940800000000 ] - [ -0.0019817000000000, 0.0020689500000000, 0.0044074300000000 ] - [ 0.0007565800000000, -0.0021664200000000, 0.0020346900000000 ] - [ 0.0004863400000000, 0.0001530900000000, -0.0039493800000000 ] - [ -0.0000671300000000, -0.0002920000000000, -0.0000880600000000 ] - [ 0.0006497100000000, -0.0002772500000000, -0.0007847100000000 ] - [ 0.0029203000000000, 0.0005915800000000, -0.0018770900000000 ] - [ -0.0016287900000000, -0.0025348100000000, -0.0003573700000000 ] - [ -0.0033299200000000, 0.0020713600000000, 0.0048854300000000 ] - [ 0.0672269400000000, -0.0696731400000000, -0.0814708700000000 ] - [ 0.0003294600000000, 0.0012194400000000, -0.0005482100000000 ] - [ -0.0021891000000000, 0.0002017300000000, 0.0029194200000000 ] - [ -0.0038405000000000, 0.0064444200000000, 0.0056121700000000 ] - [ 0.0012709600000000, -0.0019367700000000, -0.0001057400000000 ] - [ -0.0002627500000000, 0.0008742200000000, 0.0004731800000000 ] - [ 0.0004924000000000, -0.0009358500000000, -0.0026060000000000 ] - [ -0.0001533900000000, 0.0008522400000000, 0.0001234600000000 ] - [ -0.0024800700000000, -0.0015084100000000, -0.0001022800000000 ] - [ -0.0002970400000000, 0.0006645600000000, -0.0004131700000000 ] - [ 0.0005413600000000, -0.0012211900000000, 0.0019617200000000 ] - [ 0.0006525300000000, 0.0009337600000000, -0.0001520400000000 ] - [ -0.0036092100000000, -0.0006005700000000, 0.0007565100000000 ] - [ -0.0021530000000000, 0.0010068200000000, -0.0002641300000000 ] - [ 0.0103038100000000, 0.0090087100000000, 0.0174793300000000 ] - [ -0.0000867000000000, 0.0001934000000000, -0.0007131500000000 ] - [ -0.0041478100000000, -0.0054538000000000, 0.0073599700000000 ] - [ 0.0004815900000000, 0.0029598300000000, -0.0008800300000000 ] - [ -0.0212638300000000, -0.0056974000000000, 0.0194017000000000 ] - [ 0.0010699800000000, 0.0022994800000000, -0.0015005600000000 ] - [ 0.0001237600000000, -0.0005565900000000, -0.0004839600000000 ] - [ -0.0086937600000000, 0.0005312600000000, -0.0054190900000000 ] - [ 0.0013754300000000, 0.0006278800000000, 0.0012182700000000 ] - [ 0.0020851100000000, -0.0007663800000000, 0.0027997100000000 ] - [ -0.0019882900000000, 0.0001223600000000, -0.0004646000000000 ] - [ -0.0016760200000000, 0.0004449900000000, -0.0002446900000000 ] - [ 0.0007627300000000, -0.0000101400000000, 0.0014727900000000 ] - [ 0.0007559500000000, 0.0001405600000000, 0.0014686000000000 ] - [ -0.0002904300000000, -0.0016549900000000, 0.0006383800000000 ] - [ -0.0102393900000000, 0.0195749700000000, 0.0190966700000000 ] - [ -0.0166030500000000, 0.0211820400000000, 0.0173802100000000 ] - [ 0.0007913500000000, -0.0019063800000000, -0.0010734100000000 ] - [ 0.0078592900000000, 0.0052950600000000, -0.0087814800000000 ] - [ 0.0047530000000000, 0.0048246000000000, -0.0091003100000000 ] - [ -0.0016749100000000, -0.0016680600000000, 0.0021519800000000 ] - [ -0.0027399600000000, -0.0023859100000000, 0.0037360600000000 ] - [ 0.0002950800000000, 0.0002349600000000, -0.0002247300000000 ] - [ 0.0092006800000000, -0.0006906000000000, 0.0042954700000000 ] - [ -0.0018291000000000, 0.0005723000000000, -0.0005109100000000 ] - [ -0.0031017800000000, -0.0006561000000000, -0.0010895500000000 ] - [ 0.0002277400000000, 0.0005588500000000, 0.0000774100000000 ] - [ 0.0004783000000000, 0.0002698500000000, 0.0002558600000000 ] - [ 0.0000169400000000, -0.0002511700000000, -0.0015165400000000 ] - [ 0.0006385500000000, 0.0001492800000000, -0.0010798000000000 ] - [ -0.0113455800000000, 0.0045229900000000, -0.0115046600000000 ] - [ 0.0006488900000000, 0.0004178800000000, -0.0006251300000000 ] - [ 0.0021721100000000, -0.0007389800000000, 0.0030592600000000 ] - [ 0.0009679400000000, 0.0012537400000000, 0.0023656700000000 ] - [ -0.0218148600000000, 0.0153274700000000, 0.0268007800000000 ] - [ -0.0038530200000000, -0.0037753100000000, 0.0043137900000000 ] - [ 0.0054915000000000, 0.0059834800000000, -0.0074609000000000 ] - [ 0.0083927400000000, -0.0104002500000000, -0.0080751900000000 ] - [ 0.0018058600000000, -0.0008188700000000, 0.0012641800000000 ] - [ 0.0066368400000000, 0.0006940100000000, 0.0065266000000000 ] - [ -0.0013992800000000, -0.0015707100000000, -0.0009089900000000 ] - [ -0.0059857200000000, 0.0015604000000000, -0.0062434800000000 ] - [ 0.0059247300000000, 0.0009782100000000, 0.0026247600000000 ] - [ 0.0009535900000000, -0.0008690100000000, 0.0004830000000000 ] - [ -0.0070328300000000, 0.0007868900000000, -0.0028981400000000 ] - [ -0.0012426700000000, -0.0005624900000000, -0.0007808900000000 ] - [ -0.0019755700000000, -0.0017191400000000, 0.0028270100000000 ] - [ -0.0050646200000000, 0.0016157800000000, 0.0068687300000000 ] - [ 0.0029809600000000, -0.0066105700000000, -0.0066049800000000 ] - [ 0.0038820600000000, 0.0073500200000000, -0.0072155000000000 ]- atom: 17 displacement: [ 0.0057645400733883, 0.0000000000000000, -0.0081712959646742 ] forces: - [ -0.0007301500000000, 0.0023985600000000, -0.0010990200000000 ] - [ -0.0014691100000000, -0.0041106300000000, -0.0042269100000000 ] - [ -0.0000537900000000, 0.0004880100000000, 0.0010027900000000 ] - [ 0.0004861800000000, -0.0010024700000000, 0.0038543100000000 ] - [ 0.0045462300000000, -0.0039325100000000, 0.0018960800000000 ] - [ 0.0022597600000000, 0.0024274300000000, -0.0002746000000000 ] - [ -0.0040356800000000, 0.0000675700000000, 0.0000958400000000 ] - [ -0.0005823300000000, 0.0003309100000000, -0.0002028800000000 ] - [ 0.0016725000000000, -0.0021794000000000, -0.0034718400000000 ] - [ -0.0008407200000000, 0.0021626500000000, -0.0011357800000000 ] - [ -0.0005615400000000, -0.0001531200000000, 0.0048577900000000 ] - [ -0.0000108100000000, 0.0002928600000000, 0.0009787600000000 ] - [ -0.0005637200000000, 0.0002792600000000, -0.0001052700000000 ] - [ -0.0028270400000000, -0.0005923800000000, 0.0009873000000000 ] - [ 0.0017129100000000, 0.0025341900000000, -0.0005487400000000 ] - [ 0.0033481700000000, -0.0019399900000000, -0.0059562200000000 ] - [ -0.0685019700000000, 0.0715676300000000, 0.0823584800000000 ] - [ -0.0003056300000000, -0.0011176200000000, 0.0004874200000000 ] - [ 0.0022086900000000, -0.0001007800000000, -0.0029865400000000 ] - [ 0.0038668800000000, -0.0063456900000000, -0.0056730100000000 ] - [ -0.0012974900000000, 0.0018390000000000, 0.0001626400000000 ] - [ 0.0002391700000000, -0.0009765200000000, -0.0004140300000000 ] - [ -0.0004913000000000, 0.0008400200000000, 0.0026740800000000 ] - [ 0.0001322400000000, -0.0009562500000000, -0.0000644500000000 ] - [ 0.0024993800000000, 0.0014124200000000, 0.0000462300000000 ] - [ 0.0003194000000000, -0.0007683700000000, 0.0003560700000000 ] - [ -0.0005148500000000, 0.0011264400000000, -0.0020229700000000 ] - [ -0.0006291100000000, -0.0010369700000000, 0.0000936900000000 ] - [ 0.0030053000000000, 0.0005968100000000, -0.0007665100000000 ] - [ 0.0015635300000000, -0.0010060600000000, 0.0002641800000000 ] - [ -0.0110236700000000, -0.0090706500000000, -0.0175638200000000 ] - [ -0.0004991800000000, -0.0002018700000000, 0.0007197900000000 ] - [ 0.0040948200000000, 0.0055889300000000, -0.0072485300000000 ] - [ -0.0004964600000000, -0.0028484800000000, 0.0009290400000000 ] - [ 0.0215601000000000, 0.0058945600000000, -0.0196035900000000 ] - [ -0.0010991700000000, -0.0022048600000000, 0.0015640700000000 ] - [ 0.0004665500000000, 0.0005548500000000, 0.0004785100000000 ] - [ 0.0092646700000000, -0.0005191600000000, 0.0054034600000000 ] - [ -0.0007960200000000, -0.0006303200000000, -0.0012292300000000 ] - [ -0.0015191700000000, 0.0007710700000000, -0.0028013500000000 ] - [ 0.0020078100000000, -0.0000236100000000, 0.0004093600000000 ] - [ 0.0016892200000000, -0.0003482600000000, 0.0001842000000000 ] - [ -0.0007397200000000, 0.0001096000000000, -0.0015348000000000 ] - [ -0.0007280800000000, -0.0000436700000000, -0.0015258100000000 ] - [ 0.0002741300000000, 0.0015404300000000, -0.0005876900000000 ] - [ 0.0101744000000000, -0.0196104000000000, -0.0189434000000000 ] - [ 0.0167086000000000, -0.0213765200000000, -0.0174914600000000 ] - [ -0.0008229900000000, 0.0018128700000000, 0.0011505600000000 ] - [ -0.0078773500000000, -0.0052451700000000, 0.0087696700000000 ] - [ -0.0047126500000000, -0.0049505400000000, 0.0089904300000000 ] - [ 0.0016955000000000, 0.0015604800000000, -0.0022104200000000 ] - [ 0.0027660700000000, 0.0022963900000000, -0.0038059000000000 ] - [ -0.0008817800000000, -0.0002349400000000, 0.0002272000000000 ] - [ -0.0097729100000000, 0.0006735300000000, -0.0043104800000000 ] - [ 0.0012514400000000, -0.0005761700000000, 0.0005215300000000 ] - [ 0.0025320300000000, 0.0006591700000000, 0.0011059600000000 ] - [ -0.0002503700000000, -0.0004584900000000, -0.0000212000000000 ] - [ -0.0005034700000000, -0.0001699900000000, -0.0001982900000000 ] - [ -0.0000347400000000, 0.0003455100000000, 0.0015755400000000 ] - [ -0.0006508800000000, -0.0000516600000000, 0.0011390000000000 ] - [ 0.0118674800000000, -0.0044666700000000, 0.0115807900000000 ] - [ -0.0000686400000000, -0.0004218700000000, 0.0006167100000000 ] - [ -0.0015842200000000, 0.0007350000000000, -0.0030655600000000 ] - [ -0.0003749800000000, -0.0012520200000000, -0.0023661200000000 ] - [ 0.0234246500000000, -0.0181004100000000, -0.0280412100000000 ] - [ 0.0038754400000000, 0.0037929300000000, -0.0043268900000000 ] - [ -0.0054694400000000, -0.0059495600000000, 0.0074581300000000 ] - [ -0.0083998400000000, 0.0103833700000000, 0.0080717100000000 ] - [ -0.0018116000000000, 0.0008234000000000, -0.0012712100000000 ] - [ -0.0066477200000000, -0.0006909300000000, -0.0065191100000000 ] - [ 0.0014031200000000, 0.0015750000000000, 0.0009196000000000 ] - [ 0.0059962300000000, -0.0015617400000000, 0.0062517100000000 ] - [ -0.0059013000000000, -0.0009816800000000, -0.0026140400000000 ] - [ -0.0009476700000000, 0.0008732400000000, -0.0004789900000000 ] - [ 0.0070374200000000, -0.0008004900000000, 0.0028897200000000 ] - [ 0.0012350100000000, 0.0005697300000000, 0.0007756000000000 ] - [ 0.0019581200000000, 0.0017036700000000, -0.0027944200000000 ] - [ 0.0047523300000000, -0.0008497800000000, -0.0062009700000000 ] - [ -0.0029823200000000, 0.0066378200000000, 0.0066130200000000 ] - [ -0.0038839000000000, -0.0074066200000000, 0.0072423000000000 ]- atom: 29 displacement: [ 0.0099999966200928, 0.0000000000000000, -0.0000082218083623 ] forces: - [ -0.0014466600000000, -0.0030476100000000, -0.0005307600000000 ] - [ -0.0014466600000000, 0.0030476100000000, -0.0005307600000000 ] - [ -0.0011023400000000, 0.0029861200000000, -0.0014724200000000 ] - [ -0.0011023400000000, -0.0029861200000000, -0.0014724200000000 ] - [ -0.0080813600000000, 0.0000000000000000, 0.0035580100000000 ] - [ -0.0007650900000000, 0.0000000000000000, -0.0006907900000000 ] - [ 0.0017704200000000, 0.0000000000000000, -0.0061777200000000 ] - [ -0.0001660500000000, 0.0000000000000000, -0.0008779900000000 ] - [ 0.0077803000000000, 0.0000000000000000, -0.0024907500000000 ] - [ 0.0005923200000000, 0.0000000000000000, 0.0007600000000000 ] - [ -0.0008676700000000, 0.0000000000000000, 0.0069215000000000 ] - [ 0.0003147100000000, 0.0000000000000000, 0.0008060500000000 ] - [ 0.0050538500000000, -0.0012474800000000, 0.0009839400000000 ] - [ 0.0050538500000000, 0.0012474800000000, 0.0009839400000000 ] - [ -0.0002931300000000, 0.0000807300000000, -0.0001323300000000 ] - [ -0.0002931300000000, -0.0000807300000000, -0.0001323300000000 ] - [ 0.0038852800000000, -0.0020920200000000, -0.0013377200000000 ] - [ 0.0008903500000000, -0.0014003300000000, -0.0016895100000000 ] - [ -0.0089043000000000, 0.0074946800000000, 0.0066654700000000 ] - [ -0.0005682300000000, 0.0001449700000000, -0.0001857800000000 ] - [ 0.0054053500000000, -0.0084584300000000, -0.0071069900000000 ] - [ 0.0001614800000000, 0.0008728200000000, -0.0000660700000000 ] - [ -0.0016711400000000, 0.0020324000000000, 0.0010699300000000 ] - [ -0.0007398200000000, 0.0005594200000000, 0.0008447000000000 ] - [ -0.0057708000000000, -0.0077039500000000, 0.0074638400000000 ] - [ -0.0004492300000000, 0.0004635600000000, 0.0003659600000000 ] - [ 0.0025051000000000, 0.0014352100000000, -0.0017146500000000 ] - [ 0.0014133500000000, 0.0007473400000000, -0.0009189400000000 ] - [ -0.1171108700000000, 0.0000000000000000, -0.0622923100000000 ] - [ -0.0011573300000000, 0.0000000000000000, -0.0004300700000000 ] - [ 0.0083448900000000, 0.0000000000000000, 0.0041607000000000 ] - [ -0.0006934700000000, 0.0000000000000000, -0.0006376200000000 ] - [ 0.0204427800000000, 0.0173137300000000, 0.0002069900000000 ] - [ -0.0004804700000000, -0.0009490700000000, 0.0001456100000000 ] - [ -0.0001428600000000, -0.0013848000000000, 0.0022197800000000 ] - [ -0.0000320100000000, -0.0002532500000000, 0.0008247100000000 ] - [ -0.0017497000000000, -0.0005005900000000, -0.0009737800000000 ] - [ -0.0017497000000000, 0.0005005900000000, -0.0009737800000000 ] - [ -0.0003830900000000, 0.0007015400000000, -0.0016326100000000 ] - [ -0.0003830900000000, -0.0007015400000000, -0.0016326100000000 ] - [ -0.0057708000000000, 0.0077039500000000, 0.0074638400000000 ] - [ -0.0004492300000000, -0.0004635600000000, 0.0003659600000000 ] - [ 0.0025051000000000, -0.0014352100000000, -0.0017146500000000 ] - [ 0.0014133500000000, -0.0007473400000000, -0.0009189400000000 ] - [ 0.0204427800000000, -0.0173137300000000, 0.0002069900000000 ] - [ -0.0004804700000000, 0.0009490700000000, 0.0001456100000000 ] - [ -0.0001428600000000, 0.0013848000000000, 0.0022197800000000 ] - [ -0.0000320100000000, 0.0002532500000000, 0.0008247100000000 ] - [ 0.0038852800000000, 0.0020920200000000, -0.0013377200000000 ] - [ 0.0008903500000000, 0.0014003300000000, -0.0016895100000000 ] - [ -0.0089043000000000, -0.0074946800000000, 0.0066654700000000 ] - [ -0.0005682300000000, -0.0001449700000000, -0.0001857800000000 ] - [ 0.0030380900000000, 0.0002425100000000, 0.0005356800000000 ] - [ 0.0030380900000000, -0.0002425100000000, 0.0005356800000000 ] - [ -0.0002483700000000, 0.0001066200000000, 0.0019971000000000 ] - [ -0.0002483700000000, -0.0001066200000000, 0.0019971000000000 ] - [ 0.0054053500000000, 0.0084584300000000, -0.0071069900000000 ] - [ 0.0001614800000000, -0.0008728200000000, -0.0000660700000000 ] - [ -0.0016711400000000, -0.0020324000000000, 0.0010699300000000 ] - [ -0.0007398200000000, -0.0005594200000000, 0.0008447000000000 ] - [ 0.0313904200000000, 0.0000000000000000, 0.0164090400000000 ] - [ 0.0010003400000000, 0.0000000000000000, 0.0004992800000000 ] - [ 0.0245803800000000, 0.0000000000000000, 0.0219190400000000 ] - [ 0.0005200700000000, 0.0000000000000000, 0.0003283800000000 ] - [ -0.0137061800000000, 0.0000000000000000, -0.0114208600000000 ] - [ -0.0010534200000000, 0.0000000000000000, 0.0006207800000000 ] - [ 0.0329685300000000, 0.0000000000000000, 0.0149106200000000 ] - [ 0.0018706600000000, 0.0000000000000000, -0.0002997300000000 ] - [ 0.0051203800000000, -0.0030817600000000, -0.0044715500000000 ] - [ 0.0051203800000000, 0.0030817600000000, -0.0044715500000000 ] - [ -0.0067344000000000, -0.0051071400000000, 0.0050362700000000 ] - [ -0.0067344000000000, 0.0051071400000000, 0.0050362700000000 ] - [ 0.0102014300000000, 0.0000000000000000, -0.0010486400000000 ] - [ 0.0000763800000000, 0.0000000000000000, -0.0002675500000000 ] - [ -0.0089610900000000, 0.0000000000000000, -0.0032833600000000 ] - [ -0.0004569000000000, 0.0000000000000000, -0.0000575000000000 ] - [ -0.0034746300000000, 0.0053072800000000, 0.0061400600000000 ] - [ -0.0034746300000000, -0.0053072800000000, 0.0061400600000000 ] - [ 0.0020794900000000, 0.0016337500000000, -0.0027262000000000 ] - [ 0.0020794900000000, -0.0016337500000000, -0.0027262000000000 ]- atom: 29 displacement: [ -0.0099999966200928, 0.0000000000000000, 0.0000082218083623 ] forces: - [ 0.0013667100000000, 0.0030699200000000, 0.0014297300000000 ] - [ 0.0013667100000000, -0.0030699200000000, 0.0014297300000000 ] - [ 0.0010354700000000, -0.0029859100000000, 0.0023540200000000 ] - [ 0.0010354700000000, 0.0029859100000000, 0.0023540200000000 ] - [ 0.0081717600000000, 0.0000000000000000, -0.0044589300000000 ] - [ 0.0008481200000000, 0.0000000000000000, -0.0001960100000000 ] - [ -0.0016907000000000, 0.0000000000000000, 0.0053160500000000 ] - [ 0.0002513400000000, 0.0000000000000000, -0.0000110700000000 ] - [ -0.0077276100000000, 0.0000000000000000, 0.0030673300000000 ] - [ -0.0006717000000000, 0.0000000000000000, 0.0001256300000000 ] - [ 0.0007239100000000, 0.0000000000000000, -0.0060179900000000 ] - [ -0.0004066200000000, 0.0000000000000000, 0.0000871600000000 ] - [ -0.0050057300000000, 0.0011630200000000, -0.0018730400000000 ] - [ -0.0050057300000000, -0.0011630200000000, -0.0018730400000000 ] - [ 0.0003772000000000, -0.0000802700000000, -0.0007617500000000 ] - [ 0.0003772000000000, 0.0000802700000000, -0.0007617500000000 ] - [ -0.0038862700000000, 0.0021997000000000, 0.0012757900000000 ] - [ -0.0008626100000000, 0.0014920000000000, 0.0016214800000000 ] - [ 0.0088475100000000, -0.0074530900000000, -0.0068756900000000 ] - [ 0.0005842400000000, -0.0000353600000000, 0.0001209500000000 ] - [ -0.0054718000000000, 0.0084063100000000, 0.0071861400000000 ] - [ -0.0001671800000000, -0.0009817900000000, 0.0001207300000000 ] - [ 0.0016471800000000, -0.0021318000000000, -0.0009946500000000 ] - [ 0.0007169000000000, -0.0006606800000000, -0.0007827100000000 ] - [ 0.0058469900000000, 0.0076470800000000, -0.0075515000000000 ] - [ 0.0004761400000000, -0.0005665600000000, -0.0004219400000000 ] - [ -0.0024789200000000, -0.0015316000000000, 0.0016617100000000 ] - [ -0.0013954300000000, -0.0008612200000000, 0.0008685300000000 ] - [ 0.1160494200000000, 0.0000000000000000, 0.0608252200000000 ] - [ 0.0005688400000000, 0.0000000000000000, 0.0004364000000000 ] - [ -0.0089481900000000, 0.0000000000000000, -0.0041546500000000 ] - [ 0.0001127000000000, 0.0000000000000000, 0.0006446900000000 ] - [ -0.0202772000000000, -0.0169872700000000, -0.0001330900000000 ] - [ 0.0004441900000000, 0.0010416200000000, -0.0000817400000000 ] - [ 0.0001269800000000, 0.0015043900000000, -0.0021814600000000 ] - [ 0.0000140600000000, 0.0003658300000000, -0.0007819100000000 ] - [ 0.0023245700000000, 0.0005142400000000, 0.0009841600000000 ] - [ 0.0023245700000000, -0.0005142400000000, 0.0009841600000000 ] - [ 0.0009851100000000, -0.0007062400000000, 0.0016366200000000 ] - [ 0.0009851100000000, 0.0007062400000000, 0.0016366200000000 ] - [ 0.0058469900000000, -0.0076470800000000, -0.0075515000000000 ] - [ 0.0004761400000000, 0.0005665600000000, -0.0004219400000000 ] - [ -0.0024789200000000, 0.0015316000000000, 0.0016617100000000 ] - [ -0.0013954300000000, 0.0008612200000000, 0.0008685300000000 ] - [ -0.0202772000000000, 0.0169872700000000, -0.0001330900000000 ] - [ 0.0004441900000000, -0.0010416200000000, -0.0000817400000000 ] - [ 0.0001269800000000, -0.0015043900000000, -0.0021814600000000 ] - [ 0.0000140600000000, -0.0003658300000000, -0.0007819100000000 ] - [ -0.0038862700000000, -0.0021997000000000, 0.0012757900000000 ] - [ -0.0008626100000000, -0.0014920000000000, 0.0016214800000000 ] - [ 0.0088475100000000, 0.0074530900000000, -0.0068756900000000 ] - [ 0.0005842400000000, 0.0000353600000000, 0.0001209500000000 ] - [ -0.0036228300000000, -0.0002503200000000, -0.0005317400000000 ] - [ -0.0036228300000000, 0.0002503200000000, -0.0005317400000000 ] - [ -0.0003405100000000, -0.0001050300000000, -0.0019958800000000 ] - [ -0.0003405100000000, 0.0001050300000000, -0.0019958800000000 ] - [ -0.0054718000000000, -0.0084063100000000, 0.0071861400000000 ] - [ -0.0001671800000000, 0.0009817900000000, 0.0001207300000000 ] - [ 0.0016471800000000, 0.0021318000000000, -0.0009946500000000 ] - [ 0.0007169000000000, 0.0006606800000000, -0.0007827100000000 ] - [ -0.0310823500000000, 0.0000000000000000, -0.0165318500000000 ] - [ -0.0004156400000000, 0.0000000000000000, -0.0005092100000000 ] - [ -0.0238038900000000, 0.0000000000000000, -0.0218635400000000 ] - [ 0.0000541900000000, 0.0000000000000000, -0.0003388800000000 ] - [ 0.0137774500000000, 0.0000000000000000, 0.0114741800000000 ] - [ 0.0010400800000000, 0.0000000000000000, -0.0006127900000000 ] - [ -0.0311547600000000, 0.0000000000000000, -0.0121267900000000 ] - [ -0.0018401000000000, 0.0000000000000000, 0.0003016300000000 ] - [ -0.0051374900000000, 0.0030862200000000, 0.0044664600000000 ] - [ -0.0051374900000000, -0.0030862200000000, 0.0044664600000000 ] - [ 0.0067288000000000, 0.0051468300000000, -0.0050556900000000 ] - [ 0.0067288000000000, -0.0051468300000000, -0.0050556900000000 ] - [ -0.0117092800000000, 0.0000000000000000, 0.0002730500000000 ] - [ -0.0000874900000000, 0.0000000000000000, 0.0002630600000000 ] - [ 0.0089580900000000, 0.0000000000000000, 0.0032565600000000 ] - [ 0.0004620500000000, 0.0000000000000000, 0.0000483300000000 ] - [ 0.0034909200000000, -0.0052859700000000, -0.0061154200000000 ] - [ 0.0034909200000000, 0.0052859700000000, -0.0061154200000000 ] - [ -0.0021068400000000, -0.0016553700000000, 0.0027630800000000 ] - [ -0.0021068400000000, 0.0016553700000000, 0.0027630800000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003600400000000, -0.0000670200000000, 0.0002595900000000 ] - [ 0.0002851400000000, -0.0000531100000000, 0.0006343500000000 ] - [ 0.0008368600000000, -0.0008485200000000, 0.0012985700000000 ] - [ -0.0009223500000000, -0.0008298300000000, -0.0004094100000000 ] - [ 0.0000444100000000, 0.0021140800000000, -0.0004425000000000 ] - [ 0.0000417300000000, -0.0009771800000000, -0.0004448700000000 ] - [ 0.0000383600000000, 0.0017862000000000, -0.0004413300000000 ] - [ 0.0000421800000000, -0.0010277100000000, -0.0004472600000000 ] - [ -0.0000663800000000, 0.0046447100000000, 0.0004687400000000 ] - [ -0.0000453400000000, -0.0013030100000000, 0.0004497500000000 ] - [ -0.0000452400000000, 0.0029784100000000, 0.0004444700000000 ] - [ -0.0000382000000000, -0.0012447400000000, 0.0004409900000000 ] - [ -0.0014323700000000, -0.0061530100000000, -0.0002182600000000 ] - [ 0.0014947700000000, -0.0059944500000000, -0.0006744300000000 ] - [ 0.0000627700000000, 0.0000259400000000, -0.0004747900000000 ] - [ 0.0000183400000000, 0.0000368100000000, -0.0004181300000000 ] - [ 0.0001706900000000, -0.0008788200000000, -0.0006572000000000 ] - [ -0.0005210900000000, 0.0013643400000000, 0.0008272300000000 ] - [ 0.0023334500000000, 0.0020731200000000, 0.0126927200000000 ] - [ -0.0009887500000000, 0.0023571500000000, -0.0004853800000000 ] - [ -0.0028731600000000, -0.0011175400000000, -0.0013366600000000 ] - [ 0.0011129300000000, 0.0011837100000000, 0.0001571600000000 ] - [ 0.0005768300000000, -0.0010468300000000, -0.0005052900000000 ] - [ -0.0002892600000000, 0.0007512600000000, 0.0006014600000000 ] - [ -0.0022681400000000, -0.0012540000000000, -0.0008045000000000 ] - [ 0.0004362100000000, 0.0009885500000000, -0.0000228800000000 ] - [ -0.0001885500000000, -0.0008020300000000, 0.0006439000000000 ] - [ 0.0003512400000000, 0.0007435300000000, -0.0004907900000000 ] - [ -0.0001995100000000, -0.0295770100000000, 0.0000782500000000 ] - [ -0.0002849300000000, 0.0029680100000000, 0.0000050600000000 ] - [ -0.0002992000000000, -0.0002825800000000, 0.0000029800000000 ] - [ -0.0002917800000000, 0.0004180500000000, 0.0000047500000000 ] - [ 0.0119329300000000, 0.0018702300000000, 0.0029504300000000 ] - [ 0.0000985400000000, 0.0017086500000000, -0.0004134800000000 ] - [ -0.0004414600000000, -0.0009162800000000, 0.0006383900000000 ] - [ 0.0006076300000000, 0.0016056100000000, -0.0010673200000000 ] - [ -0.0002069700000000, 0.0010970700000000, 0.0024266600000000 ] - [ 0.0008035400000000, 0.0011040800000000, -0.0024667900000000 ] - [ 0.0009937500000000, 0.0001031700000000, -0.0000963800000000 ] - [ -0.0004141200000000, 0.0000977600000000, 0.0000939900000000 ] - [ 0.0022590700000000, -0.0011374100000000, 0.0007200300000000 ] - [ -0.0004127700000000, 0.0010833200000000, -0.0000487900000000 ] - [ 0.0002010100000000, -0.0006837100000000, -0.0006904900000000 ] - [ -0.0003314200000000, 0.0008396300000000, 0.0004324000000000 ] - [ -0.0119076100000000, 0.0018263700000000, -0.0028670200000000 ] - [ -0.0001076000000000, 0.0016009800000000, 0.0004697400000000 ] - [ 0.0004093600000000, -0.0010013700000000, -0.0005652700000000 ] - [ -0.0006318400000000, 0.0015006000000000, 0.0011259600000000 ] - [ -0.0001366500000000, -0.0009620100000000, 0.0005916700000000 ] - [ 0.0005438100000000, 0.0012580000000000, -0.0008852300000000 ] - [ -0.0022938100000000, 0.0020281100000000, -0.0126959500000000 ] - [ 0.0010193100000000, 0.0022589200000000, 0.0004486900000000 ] - [ -0.0005403500000000, 0.0002615500000000, -0.0000218000000000 ] - [ -0.0000474500000000, 0.0002572900000000, 0.0000268400000000 ] - [ -0.0003992900000000, 0.0003535700000000, -0.0000497400000000 ] - [ -0.0001868300000000, 0.0003513500000000, 0.0000469200000000 ] - [ 0.0028001400000000, -0.0009946200000000, 0.0013787300000000 ] - [ -0.0011637000000000, 0.0012814600000000, -0.0000902100000000 ] - [ -0.0005924400000000, -0.0009268500000000, 0.0005517400000000 ] - [ 0.0002650700000000, 0.0008494600000000, -0.0005482400000000 ] - [ 0.0003519000000000, 0.0003665100000000, 0.0000316200000000 ] - [ 0.0002873500000000, 0.0005055200000000, -0.0000069200000000 ] - [ 0.0002052700000000, 0.0024394200000000, -0.0000938800000000 ] - [ 0.0002979400000000, 0.0008548600000000, 0.0000001000000000 ] - [ -0.0000145100000000, 0.0023009800000000, -0.0000227000000000 ] - [ 0.0000009100000000, -0.0026629500000000, -0.0000000300000000 ] - [ -0.0001157900000000, 0.0192896100000000, -0.0001184900000000 ] - [ -0.0000189500000000, -0.0047658900000000, -0.0000075800000000 ] - [ 0.0000492100000000, -0.0011084600000000, -0.0026373000000000 ] - [ -0.0000494900000000, -0.0010925200000000, 0.0026821200000000 ] - [ -0.0015025300000000, -0.0008876900000000, 0.0012973200000000 ] - [ 0.0015302300000000, -0.0008624700000000, -0.0013127100000000 ] - [ 0.0001107000000000, 0.0093585200000000, 0.0000538700000000 ] - [ 0.0000103500000000, -0.0026276700000000, 0.0000085700000000 ] - [ 0.0000223500000000, 0.0016495200000000, 0.0000079900000000 ] - [ -0.0000025300000000, -0.0014423100000000, -0.0000011800000000 ] - [ 0.0021972300000000, -0.0022813000000000, -0.0021468600000000 ] - [ -0.0022143900000000, -0.0022562100000000, 0.0021444900000000 ] - [ -0.0015489900000000, -0.0022448200000000, 0.0026054300000000 ] - [ 0.0015522400000000, -0.0022240300000000, -0.0026156100000000 ]- atom: 29 displacement: [ -0.0057645400733883, 0.0000000000000000, 0.0081712959646742 ] forces: - [ -0.0000789500000000, 0.0000326800000000, 0.0005604600000000 ] - [ -0.0000789500000000, -0.0000326800000000, 0.0005604600000000 ] - [ -0.0009120700000000, 0.0003099500000000, 0.0008309000000000 ] - [ -0.0009120700000000, -0.0003099500000000, 0.0008309000000000 ] - [ 0.0020449000000000, 0.0000000000000000, -0.0000895900000000 ] - [ 0.0002524800000000, 0.0000000000000000, -0.0003128300000000 ] - [ -0.0010529400000000, 0.0000000000000000, -0.0025894900000000 ] - [ -0.0004046600000000, 0.0000000000000000, -0.0006694000000000 ] - [ -0.0062221400000000, 0.0000000000000000, 0.0091653800000000 ] - [ 0.0000129200000000, 0.0000000000000000, 0.0005352300000000 ] - [ 0.0059451500000000, 0.0000000000000000, -0.0052952200000000 ] - [ 0.0001277700000000, 0.0000000000000000, 0.0005231600000000 ] - [ -0.0018079500000000, 0.0007044300000000, 0.0033548900000000 ] - [ -0.0018079500000000, -0.0007044300000000, 0.0033548900000000 ] - [ 0.0007900700000000, -0.0005110000000000, -0.0013389200000000 ] - [ 0.0007900700000000, 0.0005110000000000, -0.0013389200000000 ] - [ -0.0033268400000000, -0.0005118700000000, 0.0006923900000000 ] - [ -0.0005749400000000, 0.0007698400000000, 0.0006059300000000 ] - [ 0.0041708900000000, 0.0104006800000000, 0.0129080200000000 ] - [ 0.0004282800000000, -0.0005998700000000, -0.0005985700000000 ] - [ -0.0027714100000000, 0.0012350300000000, -0.0009988100000000 ] - [ 0.0000754100000000, -0.0004522000000000, -0.0002689700000000 ] - [ 0.0012978900000000, -0.0019564400000000, 0.0024717200000000 ] - [ 0.0000198400000000, 0.0005336600000000, 0.0005069600000000 ] - [ 0.0035650300000000, 0.0005894000000000, 0.0000974900000000 ] - [ 0.0006052400000000, 0.0005774400000000, -0.0002478800000000 ] - [ -0.0007388500000000, -0.0002740800000000, 0.0003309000000000 ] - [ -0.0004058800000000, -0.0004849600000000, 0.0002449600000000 ] - [ 0.0162080000000000, 0.0000000000000000, -0.0545961200000000 ] - [ -0.0001481700000000, 0.0000000000000000, -0.0002762600000000 ] - [ -0.0018786400000000, 0.0000000000000000, 0.0024124400000000 ] - [ -0.0005832200000000, 0.0000000000000000, 0.0001340700000000 ] - [ -0.0051797500000000, -0.0032852300000000, -0.0069167300000000 ] - [ 0.0003499400000000, 0.0006445300000000, -0.0005864100000000 ] - [ -0.0008786800000000, -0.0004385300000000, 0.0011539500000000 ] - [ -0.0006715200000000, -0.0012084400000000, 0.0014562400000000 ] - [ 0.0006666200000000, 0.0022772000000000, 0.0006744900000000 ] - [ 0.0006666200000000, -0.0022772000000000, 0.0006744900000000 ] - [ -0.0006515500000000, -0.0004844500000000, -0.0001056500000000 ] - [ -0.0006515500000000, 0.0004844500000000, -0.0001056500000000 ] - [ 0.0035650300000000, -0.0005894000000000, 0.0000974900000000 ] - [ 0.0006052400000000, -0.0005774400000000, -0.0002478800000000 ] - [ -0.0007388500000000, 0.0002740800000000, 0.0003309000000000 ] - [ -0.0004058800000000, 0.0004849600000000, 0.0002449600000000 ] - [ -0.0051797500000000, 0.0032852300000000, -0.0069167300000000 ] - [ 0.0003499400000000, -0.0006445300000000, -0.0005864100000000 ] - [ -0.0008786800000000, 0.0004385300000000, 0.0011539500000000 ] - [ -0.0006715200000000, 0.0012084400000000, 0.0014562400000000 ] - [ -0.0033268400000000, 0.0005118700000000, 0.0006923900000000 ] - [ -0.0005749400000000, -0.0007698400000000, 0.0006059300000000 ] - [ 0.0041708900000000, -0.0104006800000000, 0.0129080200000000 ] - [ 0.0004282800000000, 0.0005998700000000, -0.0005985700000000 ] - [ -0.0017777100000000, -0.0001207800000000, -0.0007772200000000 ] - [ -0.0017777100000000, 0.0001207800000000, -0.0007772200000000 ] - [ 0.0013101400000000, -0.0000234700000000, 0.0016545500000000 ] - [ 0.0013101400000000, 0.0000234700000000, 0.0016545500000000 ] - [ -0.0027714100000000, -0.0012350300000000, -0.0009988100000000 ] - [ 0.0000754100000000, 0.0004522000000000, -0.0002689700000000 ] - [ 0.0012978900000000, 0.0019564400000000, 0.0024717200000000 ] - [ 0.0000198400000000, -0.0005336600000000, 0.0005069600000000 ] - [ -0.0041974000000000, 0.0000000000000000, -0.0013020200000000 ] - [ 0.0002950300000000, 0.0000000000000000, 0.0002408600000000 ] - [ 0.0041361500000000, 0.0000000000000000, 0.0072983500000000 ] - [ 0.0004294400000000, 0.0000000000000000, 0.0000190100000000 ] - [ 0.0051697500000000, 0.0000000000000000, -0.0017218700000000 ] - [ 0.0014949800000000, 0.0000000000000000, -0.0013753200000000 ] - [ -0.0020498000000000, 0.0000000000000000, 0.0249015800000000 ] - [ -0.0012953800000000, 0.0000000000000000, 0.0010834100000000 ] - [ -0.0025393300000000, -0.0029674300000000, -0.0022658800000000 ] - [ -0.0025393300000000, 0.0029674300000000, -0.0022658800000000 ] - [ 0.0024797300000000, 0.0018256600000000, -0.0002177700000000 ] - [ 0.0024797300000000, -0.0018256600000000, -0.0002177700000000 ] - [ -0.0107027300000000, 0.0000000000000000, 0.0054064800000000 ] - [ -0.0003180200000000, 0.0000000000000000, 0.0007277000000000 ] - [ -0.0009568000000000, 0.0000000000000000, -0.0034414200000000 ] - [ 0.0004018300000000, 0.0000000000000000, -0.0007704800000000 ] - [ 0.0019475300000000, -0.0026131400000000, 0.0002351900000000 ] - [ 0.0019475300000000, 0.0026131400000000, 0.0002351900000000 ] - [ 0.0012545400000000, 0.0033799700000000, -0.0034600400000000 ] - [ 0.0012545400000000, -0.0033799700000000, -0.0034600400000000 ]- atom: 29 displacement: [ 0.0057645400733883, 0.0000000000000000, -0.0081712959646742 ] forces: - [ -0.0000023600000000, -0.0000373300000000, 0.0003249200000000 ] - [ -0.0000023600000000, 0.0000373300000000, 0.0003249200000000 ] - [ 0.0008319900000000, -0.0003245600000000, 0.0000710600000000 ] - [ 0.0008319900000000, 0.0003245600000000, 0.0000710600000000 ] - [ -0.0019556000000000, 0.0000000000000000, -0.0008061500000000 ] - [ -0.0001698900000000, 0.0000000000000000, -0.0005754700000000 ] - [ 0.0011364400000000, 0.0000000000000000, 0.0017165100000000 ] - [ 0.0004890500000000, 0.0000000000000000, -0.0002184900000000 ] - [ 0.0066195900000000, 0.0000000000000000, -0.0090941000000000 ] - [ -0.0000980500000000, 0.0000000000000000, 0.0003512600000000 ] - [ -0.0060118800000000, 0.0000000000000000, 0.0061675000000000 ] - [ -0.0002125800000000, 0.0000000000000000, 0.0003698800000000 ] - [ 0.0018830300000000, -0.0007328500000000, -0.0042608000000000 ] - [ 0.0018830300000000, 0.0007328500000000, -0.0042608000000000 ] - [ -0.0007129500000000, 0.0005186500000000, 0.0004556800000000 ] - [ -0.0007129500000000, -0.0005186500000000, 0.0004556800000000 ] - [ 0.0034020100000000, 0.0006240400000000, -0.0007498400000000 ] - [ 0.0005981800000000, -0.0006662000000000, -0.0006599500000000 ] - [ -0.0040761500000000, -0.0102248500000000, -0.0129083700000000 ] - [ -0.0004060200000000, 0.0007034800000000, 0.0005368700000000 ] - [ 0.0027124200000000, -0.0013318600000000, 0.0010236800000000 ] - [ -0.0000974600000000, 0.0003542500000000, 0.0003296300000000 ] - [ -0.0013432000000000, 0.0018838600000000, -0.0024499600000000 ] - [ -0.0000430800000000, -0.0006431400000000, -0.0004533700000000 ] - [ -0.0035797100000000, -0.0006750900000000, -0.0001642400000000 ] - [ -0.0005870500000000, -0.0006852300000000, 0.0001929800000000 ] - [ 0.0007578800000000, 0.0001697600000000, -0.0003922800000000 ] - [ 0.0004291000000000, 0.0003853000000000, -0.0003066600000000 ] - [ -0.0175359900000000, 0.0000000000000000, 0.0555908700000000 ] - [ -0.0004348000000000, 0.0000000000000000, 0.0002860600000000 ] - [ 0.0012899700000000, 0.0000000000000000, -0.0024099400000000 ] - [ -0.0000000700000000, 0.0000000000000000, -0.0001275800000000 ] - [ 0.0050865200000000, 0.0033504400000000, 0.0070354100000000 ] - [ -0.0003762500000000, -0.0005452500000000, 0.0006495400000000 ] - [ 0.0008614100000000, 0.0005384800000000, -0.0010933200000000 ] - [ 0.0006474200000000, 0.0013091800000000, -0.0013973800000000 ] - [ -0.0000834900000000, -0.0023035100000000, -0.0006781200000000 ] - [ -0.0000834900000000, 0.0023035100000000, -0.0006781200000000 ] - [ 0.0012312200000000, 0.0004826700000000, 0.0000931400000000 ] - [ 0.0012312200000000, -0.0004826700000000, 0.0000931400000000 ] - [ -0.0035797100000000, 0.0006750900000000, -0.0001642400000000 ] - [ -0.0005870500000000, 0.0006852300000000, 0.0001929800000000 ] - [ 0.0007578800000000, -0.0001697600000000, -0.0003922800000000 ] - [ 0.0004291000000000, -0.0003853000000000, -0.0003066600000000 ] - [ 0.0050865200000000, -0.0033504400000000, 0.0070354100000000 ] - [ -0.0003762500000000, 0.0005452500000000, 0.0006495400000000 ] - [ 0.0008614100000000, -0.0005384800000000, -0.0010933200000000 ] - [ 0.0006474200000000, -0.0013091800000000, -0.0013973800000000 ] - [ 0.0034020100000000, -0.0006240400000000, -0.0007498400000000 ] - [ 0.0005981800000000, 0.0006662000000000, -0.0006599500000000 ] - [ -0.0040761500000000, 0.0102248500000000, -0.0129083700000000 ] - [ -0.0004060200000000, -0.0007034800000000, 0.0005368700000000 ] - [ 0.0011911000000000, 0.0001230800000000, 0.0007854100000000 ] - [ 0.0011911000000000, -0.0001230800000000, 0.0007854100000000 ] - [ -0.0019024800000000, 0.0000194000000000, -0.0016562500000000 ] - [ -0.0019024800000000, -0.0000194000000000, -0.0016562500000000 ] - [ 0.0027124200000000, 0.0013318600000000, 0.0010236800000000 ] - [ -0.0000974600000000, -0.0003542500000000, 0.0003296300000000 ] - [ -0.0013432000000000, -0.0018838600000000, -0.0024499600000000 ] - [ -0.0000430800000000, 0.0006431400000000, -0.0004533700000000 ] - [ 0.0048997600000000, 0.0000000000000000, 0.0013736800000000 ] - [ 0.0002868800000000, 0.0000000000000000, -0.0002472600000000 ] - [ -0.0037612700000000, 0.0000000000000000, -0.0074487700000000 ] - [ 0.0001530300000000, 0.0000000000000000, -0.0000266200000000 ] - [ -0.0052603900000000, 0.0000000000000000, 0.0016894700000000 ] - [ -0.0014962700000000, 0.0000000000000000, 0.0013715700000000 ] - [ 0.0023871700000000, 0.0000000000000000, -0.0250505200000000 ] - [ 0.0012978200000000, 0.0000000000000000, -0.0010811000000000 ] - [ 0.0025641500000000, 0.0029993300000000, 0.0022768700000000 ] - [ 0.0025641500000000, -0.0029993300000000, 0.0022768700000000 ] - [ -0.0024706400000000, -0.0018305300000000, 0.0002246100000000 ] - [ -0.0024706400000000, 0.0018305300000000, 0.0002246100000000 ] - [ 0.0108200000000000, 0.0000000000000000, -0.0054297400000000 ] - [ 0.0003201600000000, 0.0000000000000000, -0.0007375100000000 ] - [ 0.0010127500000000, 0.0000000000000000, 0.0035193500000000 ] - [ -0.0004028300000000, 0.0000000000000000, 0.0007766600000000 ] - [ -0.0019520500000000, 0.0026097200000000, -0.0002767200000000 ] - [ -0.0019520500000000, -0.0026097200000000, -0.0002767200000000 ] - [ -0.0012500500000000, -0.0033800500000000, 0.0034676600000000 ] - [ -0.0012500500000000, 0.0033800500000000, 0.0034676600000000 ]- atom: 65 displacement: [ 0.0099999966200928, 0.0000000000000000, -0.0000082218083623 ] forces: - [ -0.0017640400000000, -0.0150327600000000, 0.0083392100000000 ] - [ -0.0017640400000000, 0.0150327600000000, 0.0083392100000000 ] - [ 0.0019576100000000, 0.0008792100000000, -0.0006646900000000 ] - [ 0.0019576100000000, -0.0008792100000000, -0.0006646900000000 ] - [ -0.0111345800000000, 0.0000000000000000, 0.0019805700000000 ] - [ -0.0016252600000000, 0.0000000000000000, -0.0006627100000000 ] - [ 0.0290141500000000, 0.0000000000000000, -0.0122380900000000 ] - [ 0.0017478100000000, 0.0000000000000000, -0.0001721100000000 ] - [ 0.0285642600000000, 0.0000000000000000, -0.0111935600000000 ] - [ 0.0016705000000000, 0.0000000000000000, 0.0007178400000000 ] - [ -0.0112223100000000, 0.0000000000000000, 0.0028796400000000 ] - [ -0.0017124400000000, 0.0000000000000000, 0.0002305300000000 ] - [ 0.0020364200000000, -0.0008847700000000, -0.0015521200000000 ] - [ 0.0020364200000000, 0.0008847700000000, -0.0015521200000000 ] - [ -0.0016671500000000, 0.0149545600000000, 0.0074125400000000 ] - [ -0.0016671500000000, -0.0149545600000000, 0.0074125400000000 ] - [ 0.0296615700000000, -0.0116996000000000, -0.0062473100000000 ] - [ 0.0035053800000000, -0.0051496200000000, -0.0022968400000000 ] - [ -0.0027709000000000, 0.0027320500000000, 0.0047119300000000 ] - [ -0.0041850900000000, 0.0069511900000000, 0.0072906800000000 ] - [ 0.0018922000000000, -0.0046856500000000, -0.0059583500000000 ] - [ 0.0009247300000000, -0.0002361400000000, -0.0010267500000000 ] - [ -0.0086971700000000, 0.0056456100000000, 0.0020273700000000 ] - [ -0.0027095900000000, 0.0000243600000000, 0.0003430900000000 ] - [ -0.0086795700000000, -0.0057633800000000, 0.0019587300000000 ] - [ -0.0026784600000000, -0.0001189700000000, 0.0002798400000000 ] - [ 0.0019072800000000, 0.0045850400000000, -0.0060117800000000 ] - [ 0.0009461800000000, 0.0001319200000000, -0.0010824400000000 ] - [ -0.0140326700000000, 0.0000000000000000, -0.0033209600000000 ] - [ -0.0013374000000000, 0.0000000000000000, 0.0010971100000000 ] - [ 0.0308500200000000, 0.0000000000000000, 0.0187320000000000 ] - [ 0.0015620100000000, 0.0000000000000000, -0.0002769900000000 ] - [ -0.0028088400000000, -0.0026407900000000, 0.0047813000000000 ] - [ -0.0042077000000000, -0.0068503000000000, 0.0073544200000000 ] - [ 0.0302198800000000, 0.0128978200000000, -0.0069240800000000 ] - [ 0.0034843600000000, 0.0052466100000000, -0.0022421800000000 ] - [ -0.0064509500000000, -0.0015104300000000, -0.0017303100000000 ] - [ -0.0064509500000000, 0.0015104300000000, -0.0017303100000000 ] - [ 0.0054289700000000, 0.0000457500000000, 0.0004944600000000 ] - [ 0.0054289700000000, -0.0000457500000000, 0.0004944600000000 ] - [ -0.0086795700000000, 0.0057633800000000, 0.0019587300000000 ] - [ -0.0026784600000000, 0.0001189700000000, 0.0002798400000000 ] - [ 0.0019072800000000, -0.0045850400000000, -0.0060117800000000 ] - [ 0.0009461800000000, -0.0001319200000000, -0.0010824400000000 ] - [ -0.0028088400000000, 0.0026407900000000, 0.0047813000000000 ] - [ -0.0042077000000000, 0.0068503000000000, 0.0073544200000000 ] - [ 0.0302198800000000, -0.0128978200000000, -0.0069240800000000 ] - [ 0.0034843600000000, -0.0052466100000000, -0.0022421800000000 ] - [ 0.0296615700000000, 0.0116996000000000, -0.0062473100000000 ] - [ 0.0035053800000000, 0.0051496200000000, -0.0022968400000000 ] - [ -0.0027709000000000, -0.0027320500000000, 0.0047119300000000 ] - [ -0.0041850900000000, -0.0069511900000000, 0.0072906800000000 ] - [ 0.0048378800000000, -0.0000599500000000, 0.0005066400000000 ] - [ 0.0048378800000000, 0.0000599500000000, 0.0005066400000000 ] - [ -0.0070227800000000, 0.0015215200000000, -0.0017178700000000 ] - [ -0.0070227800000000, -0.0015215200000000, -0.0017178700000000 ] - [ 0.0018922000000000, 0.0046856500000000, -0.0059583500000000 ] - [ 0.0009247300000000, 0.0002361400000000, -0.0010267500000000 ] - [ -0.0086971700000000, -0.0056456100000000, 0.0020273700000000 ] - [ -0.0027095900000000, -0.0000243600000000, 0.0003430900000000 ] - [ 0.0332964000000000, 0.0000000000000000, 0.0210696300000000 ] - [ 0.0021498800000000, 0.0000000000000000, -0.0002817700000000 ] - [ -0.0134361500000000, 0.0000000000000000, -0.0032884000000000 ] - [ -0.0007547900000000, 0.0000000000000000, 0.0010900800000000 ] - [ -0.2623458300000000, 0.0000000000000000, 0.0022579400000000 ] - [ -0.0126245500000000, 0.0000000000000000, 0.0068413900000000 ] - [ 0.0136530500000000, 0.0000000000000000, -0.0032693500000000 ] - [ 0.0092515000000000, 0.0000000000000000, -0.0084975700000000 ] - [ 0.0170770100000000, -0.0000170000000000, -0.0012073800000000 ] - [ 0.0170770100000000, 0.0000170000000000, -0.0012073800000000 ] - [ -0.0086945900000000, 0.0000016300000000, 0.0044198400000000 ] - [ -0.0086945900000000, -0.0000016300000000, 0.0044198400000000 ] - [ 0.0322428000000000, 0.0000000000000000, 0.0189853700000000 ] - [ 0.0008057000000000, 0.0000000000000000, 0.0005990100000000 ] - [ 0.0321979900000000, 0.0000000000000000, 0.0188895500000000 ] - [ 0.0008162100000000, 0.0000000000000000, 0.0005955600000000 ] - [ 0.0073515400000000, 0.0185338900000000, -0.0188128400000000 ] - [ 0.0073515400000000, -0.0185338900000000, -0.0188128400000000 ] - [ 0.0073076900000000, -0.0185560700000000, -0.0188274800000000 ] - [ 0.0073076900000000, 0.0185560700000000, -0.0188274800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0139876800000000, 0.0165843500000000, -0.0114733100000000 ] - [ 0.0140661800000000, 0.0167729100000000, 0.0124943200000000 ] - [ -0.0008656500000000, -0.0001300200000000, 0.0002345900000000 ] - [ 0.0007828900000000, -0.0001315200000000, 0.0006551600000000 ] - [ 0.0000459000000000, -0.0103001600000000, -0.0004652700000000 ] - [ 0.0000418800000000, 0.0051078100000000, -0.0004447000000000 ] - [ 0.0000340700000000, -0.0153361100000000, -0.0004359300000000 ] - [ 0.0000410000000000, 0.0052533700000000, -0.0004470000000000 ] - [ -0.0000340700000000, -0.0153361100000000, 0.0004359300000000 ] - [ -0.0000410000000000, 0.0052533700000000, 0.0004470000000000 ] - [ -0.0000459000000000, -0.0103001600000000, 0.0004652700000000 ] - [ -0.0000418800000000, 0.0051078100000000, 0.0004447000000000 ] - [ 0.0008656500000000, -0.0001300200000000, -0.0002345900000000 ] - [ -0.0007828900000000, -0.0001315200000000, -0.0006551600000000 ] - [ 0.0139876800000000, 0.0165843500000000, 0.0114733100000000 ] - [ -0.0140661800000000, 0.0167729100000000, -0.0124943200000000 ] - [ -0.0161174300000000, 0.0385166000000000, 0.0105767500000000 ] - [ 0.0024324600000000, -0.0114770200000000, -0.0029616700000000 ] - [ -0.0030204400000000, 0.0062824600000000, 0.0051232600000000 ] - [ 0.0049521100000000, -0.0119316400000000, -0.0092632600000000 ] - [ -0.0013638000000000, 0.0034891800000000, 0.0009832200000000 ] - [ 0.0012639100000000, -0.0032465500000000, -0.0009978100000000 ] - [ 0.0013690100000000, 0.0034206000000000, 0.0018441900000000 ] - [ -0.0003655800000000, -0.0039268700000000, -0.0012288900000000 ] - [ -0.0013690100000000, 0.0034206000000000, -0.0018441900000000 ] - [ 0.0003655800000000, -0.0039268700000000, 0.0012288900000000 ] - [ 0.0013638000000000, 0.0034891800000000, -0.0009832200000000 ] - [ -0.0012639100000000, -0.0032465500000000, 0.0009978100000000 ] - [ -0.0003171600000000, 0.0023020400000000, -0.0000083700000000 ] - [ -0.0002933900000000, -0.0026649900000000, 0.0000026800000000 ] - [ 0.0000445200000000, 0.0192927000000000, 0.0003811600000000 ] - [ -0.0002916600000000, -0.0047648100000000, 0.0000039000000000 ] - [ 0.0030204400000000, 0.0062824600000000, -0.0051232600000000 ] - [ -0.0049521100000000, -0.0119316400000000, 0.0092632600000000 ] - [ 0.0161174300000000, 0.0385166000000000, -0.0105767500000000 ] - [ -0.0024324600000000, -0.0114770200000000, 0.0029616700000000 ] - [ -0.0048379600000000, -0.0008794200000000, -0.0013853200000000 ] - [ 0.0054170300000000, -0.0008720900000000, 0.0013758200000000 ] - [ -0.0027982500000000, -0.0011031400000000, -0.0058274500000000 ] - [ 0.0033786500000000, -0.0010943900000000, 0.0058319200000000 ] - [ 0.0013941400000000, 0.0035165600000000, 0.0017995400000000 ] - [ -0.0003514900000000, -0.0038254600000000, -0.0012875600000000 ] - [ -0.0013468100000000, 0.0035798700000000, 0.0009258300000000 ] - [ 0.0012866700000000, -0.0031397600000000, -0.0010526300000000 ] - [ -0.0030542300000000, 0.0061739300000000, 0.0051923300000000 ] - [ 0.0049267500000000, -0.0120301800000000, -0.0092006900000000 ] - [ -0.0142468100000000, 0.0362382400000000, 0.0089175900000000 ] - [ 0.0024031800000000, -0.0115790700000000, -0.0028877100000000 ] - [ 0.0142468100000000, 0.0362382400000000, -0.0089175900000000 ] - [ -0.0024031800000000, -0.0115790700000000, 0.0028877100000000 ] - [ 0.0030542300000000, 0.0061739300000000, -0.0051923300000000 ] - [ -0.0049267500000000, -0.0120301800000000, 0.0092006900000000 ] - [ 0.0027982500000000, -0.0011031400000000, 0.0058274500000000 ] - [ -0.0033786500000000, -0.0010943900000000, -0.0058319200000000 ] - [ 0.0048379600000000, -0.0008794200000000, 0.0013853200000000 ] - [ -0.0054170300000000, -0.0008720900000000, -0.0013758200000000 ] - [ 0.0013468100000000, 0.0035798700000000, -0.0009258300000000 ] - [ -0.0012866700000000, -0.0031397600000000, 0.0010526300000000 ] - [ -0.0013941400000000, 0.0035165600000000, -0.0017995400000000 ] - [ 0.0003514900000000, -0.0038254600000000, 0.0012875600000000 ] - [ -0.0000445200000000, 0.0192927000000000, -0.0003811600000000 ] - [ 0.0002916600000000, -0.0047648100000000, -0.0000039000000000 ] - [ 0.0003171600000000, 0.0023020400000000, 0.0000083700000000 ] - [ 0.0002933900000000, -0.0026649900000000, -0.0000026800000000 ] - [ 0.0000000000000000, -0.2617100700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0255317700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0174981500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0197774000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009546800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009372100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005701200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005906200000000, 0.0000000000000000 ] - [ -0.0000160600000000, -0.0064919900000000, -0.0000192600000000 ] - [ -0.0000015600000000, 0.0069952500000000, 0.0000031300000000 ] - [ 0.0000160600000000, -0.0064919900000000, 0.0000192600000000 ] - [ 0.0000015600000000, 0.0069952500000000, -0.0000031300000000 ] - [ 0.0124870100000000, 0.0239859200000000, -0.0242765500000000 ] - [ -0.0125332600000000, 0.0239973400000000, 0.0243506200000000 ] - [ -0.0124870100000000, 0.0239859200000000, 0.0242765500000000 ] - [ 0.0125332600000000, 0.0239973400000000, -0.0243506200000000 ]- atom: 65 displacement: [ -0.0057645400733883, 0.0000000000000000, 0.0081712959646742 ] forces: - [ 0.0058586600000000, -0.0004261700000000, -0.0105936500000000 ] - [ 0.0058586600000000, 0.0004261700000000, -0.0105936500000000 ] - [ -0.0016413700000000, 0.0004557500000000, 0.0032816300000000 ] - [ -0.0016413700000000, -0.0004557500000000, 0.0032816300000000 ] - [ 0.0036980900000000, 0.0000000000000000, 0.0227198300000000 ] - [ 0.0019389500000000, 0.0000000000000000, 0.0002290700000000 ] - [ -0.0254843600000000, 0.0000000000000000, 0.0012293400000000 ] - [ -0.0018173400000000, 0.0000000000000000, -0.0013135800000000 ] - [ -0.0258553100000000, 0.0000000000000000, 0.0021427300000000 ] - [ -0.0018945600000000, 0.0000000000000000, -0.0004280700000000 ] - [ 0.0035897100000000, 0.0000000000000000, 0.0233617900000000 ] - [ 0.0018503300000000, 0.0000000000000000, 0.0011256100000000 ] - [ -0.0015635000000000, -0.0004627600000000, 0.0023886900000000 ] - [ -0.0015635000000000, 0.0004627600000000, 0.0023886900000000 ] - [ 0.0059540800000000, 0.0004486600000000, -0.0114844200000000 ] - [ 0.0059540800000000, -0.0004486600000000, -0.0114844200000000 ] - [ -0.0271402800000000, 0.0178630600000000, 0.0254742800000000 ] - [ -0.0034449300000000, 0.0064709400000000, 0.0045886000000000 ] - [ 0.0050556100000000, -0.0027892800000000, -0.0078020700000000 ] - [ 0.0057082100000000, -0.0091559400000000, -0.0100064400000000 ] - [ -0.0015101900000000, -0.0000264300000000, -0.0030444100000000 ] - [ -0.0008633000000000, -0.0000388200000000, -0.0004947600000000 ] - [ 0.0024691300000000, 0.0000642600000000, 0.0036205800000000 ] - [ 0.0011180300000000, -0.0004149400000000, 0.0008230200000000 ] - [ 0.0025056900000000, -0.0001804800000000, 0.0035637000000000 ] - [ 0.0011490200000000, 0.0003164300000000, 0.0007607200000000 ] - [ -0.0014941000000000, -0.0000808000000000, -0.0031173800000000 ] - [ -0.0008405000000000, -0.0000610600000000, -0.0005575900000000 ] - [ -0.0017383200000000, 0.0000000000000000, -0.0064053800000000 ] - [ 0.0008172800000000, 0.0000000000000000, -0.0016420600000000 ] - [ -0.0075652900000000, 0.0000000000000000, 0.0215774800000000 ] - [ -0.0016091200000000, 0.0000000000000000, 0.0010717000000000 ] - [ 0.0050276900000000, 0.0028713600000000, -0.0077363800000000 ] - [ 0.0056855300000000, 0.0092592700000000, -0.0099460300000000 ] - [ -0.0255150900000000, -0.0153626700000000, 0.0241495000000000 ] - [ -0.0034620800000000, -0.0063764700000000, 0.0046344100000000 ] - [ 0.0082974200000000, 0.0019429400000000, 0.0036791900000000 ] - [ 0.0082974200000000, -0.0019429400000000, 0.0036791900000000 ] - [ -0.0063200600000000, -0.0022023700000000, -0.0051428600000000 ] - [ -0.0063200600000000, 0.0022023700000000, -0.0051428600000000 ] - [ 0.0025056900000000, 0.0001804800000000, 0.0035637000000000 ] - [ 0.0011490200000000, -0.0003164300000000, 0.0007607200000000 ] - [ -0.0014941000000000, 0.0000808000000000, -0.0031173800000000 ] - [ -0.0008405000000000, 0.0000610600000000, -0.0005575900000000 ] - [ 0.0050276900000000, -0.0028713600000000, -0.0077363800000000 ] - [ 0.0056855300000000, -0.0092592700000000, -0.0099460300000000 ] - [ -0.0255150900000000, 0.0153626700000000, 0.0241495000000000 ] - [ -0.0034620800000000, 0.0063764700000000, 0.0046344100000000 ] - [ -0.0271402800000000, -0.0178630600000000, 0.0254742800000000 ] - [ -0.0034449300000000, -0.0064709400000000, 0.0045886000000000 ] - [ 0.0050556100000000, 0.0027892800000000, -0.0078020700000000 ] - [ 0.0057082100000000, 0.0091559400000000, -0.0100064400000000 ] - [ -0.0069062200000000, 0.0022031800000000, -0.0051296600000000 ] - [ -0.0069062200000000, -0.0022031800000000, -0.0051296600000000 ] - [ 0.0077154500000000, -0.0019343700000000, 0.0036839300000000 ] - [ 0.0077154500000000, 0.0019343700000000, 0.0036839300000000 ] - [ -0.0015101900000000, 0.0000264300000000, -0.0030444100000000 ] - [ -0.0008633000000000, 0.0000388200000000, -0.0004947600000000 ] - [ 0.0024691300000000, -0.0000642600000000, 0.0036205800000000 ] - [ 0.0011180300000000, 0.0004149400000000, 0.0008230200000000 ] - [ -0.0072967200000000, 0.0000000000000000, 0.0210245100000000 ] - [ -0.0010216700000000, 0.0000000000000000, 0.0010686200000000 ] - [ -0.0011384300000000, 0.0000000000000000, -0.0063912100000000 ] - [ 0.0013958600000000, 0.0000000000000000, -0.0016534200000000 ] - [ 0.1529496600000000, 0.0000000000000000, -0.2100015600000000 ] - [ 0.0128592800000000, 0.0000000000000000, -0.0110249500000000 ] - [ -0.0105266500000000, 0.0000000000000000, 0.0189357600000000 ] - [ -0.0122674100000000, 0.0000000000000000, 0.0121214700000000 ] - [ -0.0108389600000000, -0.0000084900000000, -0.0089380800000000 ] - [ -0.0108389600000000, 0.0000084900000000, -0.0089380800000000 ] - [ 0.0086304000000000, -0.0000058700000000, 0.0087172500000000 ] - [ 0.0086304000000000, 0.0000058700000000, 0.0087172500000000 ] - [ 0.0088966400000000, 0.0000000000000000, 0.0038466400000000 ] - [ -0.0004144600000000, 0.0000000000000000, 0.0001617500000000 ] - [ 0.0089292300000000, 0.0000000000000000, 0.0038970000000000 ] - [ -0.0004017700000000, 0.0000000000000000, 0.0001680100000000 ] - [ -0.0112928000000000, -0.0254318900000000, 0.0233626000000000 ] - [ -0.0112928000000000, 0.0254318900000000, 0.0233626000000000 ] - [ -0.0112883200000000, 0.0253431300000000, 0.0233550800000000 ] - [ -0.0112883200000000, -0.0253431300000000, 0.0233550800000000 ]- atom: 73 displacement: [ 0.0099999966200928, 0.0000000000000000, -0.0000082218083623 ] forces: - [ -0.0018361900000000, 0.0111408700000000, 0.0052023100000000 ] - [ -0.0018361900000000, -0.0111408700000000, 0.0052023100000000 ] - [ 0.0017074900000000, -0.0009740900000000, -0.0000123100000000 ] - [ 0.0017074900000000, 0.0009740900000000, -0.0000123100000000 ] - [ 0.0202023900000000, 0.0000000000000000, -0.0127352500000000 ] - [ 0.0008572400000000, 0.0000000000000000, -0.0004008100000000 ] - [ -0.0069013900000000, 0.0000000000000000, 0.0002335200000000 ] - [ -0.0007753100000000, 0.0000000000000000, -0.0005606100000000 ] - [ 0.0203276700000000, 0.0000000000000000, -0.0119922100000000 ] - [ 0.0007689200000000, 0.0000000000000000, 0.0004819600000000 ] - [ -0.0070078800000000, 0.0000000000000000, 0.0010519900000000 ] - [ -0.0008657300000000, 0.0000000000000000, 0.0003266800000000 ] - [ -0.0018067300000000, -0.0111853500000000, 0.0043177700000000 ] - [ -0.0018067300000000, 0.0111853500000000, 0.0043177700000000 ] - [ 0.0017823100000000, 0.0009655100000000, -0.0009125800000000 ] - [ 0.0017823100000000, -0.0009655100000000, -0.0009125800000000 ] - [ -0.0087268200000000, 0.0047777900000000, 0.0010431600000000 ] - [ -0.0008072100000000, 0.0002909400000000, 0.0005571200000000 ] - [ 0.0017288100000000, -0.0053410100000000, -0.0074465100000000 ] - [ 0.0003378800000000, 0.0000608800000000, -0.0013133700000000 ] - [ 0.0074665700000000, 0.0007079800000000, -0.0006226100000000 ] - [ 0.0018362200000000, -0.0032933000000000, -0.0010799400000000 ] - [ -0.0021233000000000, 0.0000656100000000, 0.0032931300000000 ] - [ -0.0018785700000000, 0.0026897900000000, 0.0023560900000000 ] - [ 0.0075440500000000, -0.0006769000000000, -0.0008103000000000 ] - [ 0.0018546700000000, 0.0031779900000000, -0.0011358400000000 ] - [ -0.0021206900000000, -0.0001804700000000, 0.0032331400000000 ] - [ -0.0018713400000000, -0.0028081100000000, 0.0023100000000000 ] - [ 0.0115553100000000, 0.0000000000000000, -0.0050117300000000 ] - [ -0.0002070000000000, 0.0000000000000000, -0.0003279400000000 ] - [ -0.0092571800000000, 0.0000000000000000, -0.0075129000000000 ] - [ -0.0007464000000000, 0.0000000000000000, 0.0001747700000000 ] - [ -0.0087574300000000, -0.0046946100000000, 0.0010897900000000 ] - [ -0.0008317300000000, -0.0001859800000000, 0.0006125700000000 ] - [ 0.0017080400000000, 0.0054190900000000, -0.0073418200000000 ] - [ 0.0003165700000000, 0.0000468200000000, -0.0012552400000000 ] - [ -0.0031837100000000, 0.0022143500000000, -0.0000657500000000 ] - [ -0.0031837100000000, -0.0022143500000000, -0.0000657500000000 ] - [ 0.0023957700000000, -0.0015553800000000, 0.0030225100000000 ] - [ 0.0023957700000000, 0.0015553800000000, 0.0030225100000000 ] - [ 0.0075440500000000, 0.0006769000000000, -0.0008103000000000 ] - [ 0.0018546700000000, -0.0031779900000000, -0.0011358400000000 ] - [ -0.0021206900000000, 0.0001804700000000, 0.0032331400000000 ] - [ -0.0018713400000000, 0.0028081100000000, 0.0023100000000000 ] - [ -0.0087574300000000, 0.0046946100000000, 0.0010897900000000 ] - [ -0.0008317300000000, 0.0001859800000000, 0.0006125700000000 ] - [ 0.0017080400000000, -0.0054190900000000, -0.0073418200000000 ] - [ 0.0003165700000000, -0.0000468200000000, -0.0012552400000000 ] - [ -0.0087268200000000, -0.0047777900000000, 0.0010431600000000 ] - [ -0.0008072100000000, -0.0002909400000000, 0.0005571200000000 ] - [ 0.0017288100000000, 0.0053410100000000, -0.0074465100000000 ] - [ 0.0003378800000000, -0.0000608800000000, -0.0013133700000000 ] - [ -0.0037911400000000, -0.0022009900000000, -0.0000853800000000 ] - [ -0.0037911400000000, 0.0022009900000000, -0.0000853800000000 ] - [ 0.0017995900000000, 0.0015496300000000, 0.0030099400000000 ] - [ 0.0017995900000000, -0.0015496300000000, 0.0030099400000000 ] - [ 0.0074665700000000, -0.0007079800000000, -0.0006226100000000 ] - [ 0.0018362200000000, 0.0032933000000000, -0.0010799400000000 ] - [ -0.0021233000000000, -0.0000656100000000, 0.0032931300000000 ] - [ -0.0018785700000000, -0.0026897900000000, 0.0023560900000000 ] - [ 0.0103525500000000, 0.0000000000000000, -0.0058906300000000 ] - [ 0.0003724100000000, 0.0000000000000000, -0.0003389100000000 ] - [ -0.0086707400000000, 0.0000000000000000, -0.0075376500000000 ] - [ -0.0001705600000000, 0.0000000000000000, 0.0001618000000000 ] - [ 0.0321595300000000, 0.0000000000000000, 0.0335533800000000 ] - [ 0.0008074700000000, 0.0000000000000000, 0.0000672200000000 ] - [ 0.0323060200000000, 0.0000000000000000, 0.0337343700000000 ] - [ 0.0008131100000000, 0.0000000000000000, 0.0000747400000000 ] - [ 0.0073019300000000, -0.0124996500000000, -0.0086449200000000 ] - [ 0.0073019300000000, 0.0124996500000000, -0.0086449200000000 ] - [ 0.0073744300000000, 0.0125593300000000, -0.0086811200000000 ] - [ 0.0073744300000000, -0.0125593300000000, -0.0086811200000000 ] - [ -0.1192182600000000, 0.0000000000000000, 0.0013830300000000 ] - [ -0.0030464800000000, 0.0000000000000000, 0.0028802300000000 ] - [ 0.0076843000000000, 0.0000000000000000, -0.0026684300000000 ] - [ 0.0021884900000000, 0.0000000000000000, -0.0028761100000000 ] - [ 0.0065656500000000, -0.0000156900000000, -0.0024696000000000 ] - [ 0.0065656500000000, 0.0000156900000000, -0.0024696000000000 ] - [ -0.0057493500000000, -0.0000097300000000, 0.0036945200000000 ] - [ -0.0057493500000000, 0.0000097300000000, 0.0036945200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0112456700000000, 0.0121203000000000, 0.0077671000000000 ] - [ -0.0114487900000000, 0.0122229200000000, -0.0069681600000000 ] - [ 0.0004505500000000, 0.0000900700000000, 0.0011152600000000 ] - [ -0.0005336200000000, 0.0000869600000000, -0.0002244900000000 ] - [ 0.0000645900000000, -0.0077500500000000, -0.0004662900000000 ] - [ 0.0000399800000000, 0.0035575700000000, -0.0004414800000000 ] - [ 0.0000359700000000, -0.0104055300000000, -0.0004141200000000 ] - [ 0.0000438900000000, 0.0037358400000000, -0.0004478600000000 ] - [ -0.0000645900000000, -0.0077500500000000, 0.0004662900000000 ] - [ -0.0000399800000000, 0.0035575700000000, 0.0004414800000000 ] - [ -0.0000359700000000, -0.0104055300000000, 0.0004141200000000 ] - [ -0.0000438900000000, 0.0037358400000000, 0.0004478600000000 ] - [ -0.0112456700000000, 0.0121203000000000, -0.0077671000000000 ] - [ 0.0114487900000000, 0.0122229200000000, 0.0069681600000000 ] - [ -0.0004505500000000, 0.0000900700000000, -0.0011152600000000 ] - [ 0.0005336200000000, 0.0000869600000000, 0.0002244900000000 ] - [ -0.0007469300000000, 0.0027728700000000, 0.0006409400000000 ] - [ 0.0004700400000000, -0.0024651000000000, -0.0007766200000000 ] - [ -0.0015229500000000, 0.0031040000000000, -0.0001300200000000 ] - [ 0.0011596400000000, -0.0032069900000000, 0.0000817600000000 ] - [ 0.0017936400000000, 0.0106016800000000, 0.0033483100000000 ] - [ 0.0010158000000000, -0.0082861300000000, -0.0013544100000000 ] - [ -0.0051415600000000, 0.0037598200000000, 0.0054524400000000 ] - [ 0.0043787200000000, -0.0069925100000000, -0.0049830300000000 ] - [ -0.0017936400000000, 0.0106016800000000, -0.0033483100000000 ] - [ -0.0010158000000000, -0.0082861300000000, 0.0013544100000000 ] - [ 0.0051415600000000, 0.0037598200000000, -0.0054524400000000 ] - [ -0.0043787200000000, -0.0069925100000000, 0.0049830300000000 ] - [ -0.0003214100000000, 0.0093573700000000, -0.0000030000000000 ] - [ -0.0002945200000000, -0.0026269700000000, 0.0000016600000000 ] - [ -0.0003015600000000, 0.0016501600000000, -0.0000065200000000 ] - [ -0.0002855400000000, -0.0014410200000000, 0.0000059700000000 ] - [ 0.0007469300000000, 0.0027728700000000, -0.0006409400000000 ] - [ -0.0004700400000000, -0.0024651000000000, 0.0007766200000000 ] - [ 0.0015229500000000, 0.0031040000000000, 0.0001300200000000 ] - [ -0.0011596400000000, -0.0032069900000000, -0.0000817600000000 ] - [ 0.0055793800000000, -0.0022656500000000, 0.0005448900000000 ] - [ -0.0050144400000000, -0.0022711000000000, -0.0005374300000000 ] - [ 0.0019432300000000, -0.0022356000000000, 0.0052942300000000 ] - [ -0.0013559800000000, -0.0022345400000000, -0.0053045200000000 ] - [ 0.0021943100000000, 0.0099171200000000, 0.0024784100000000 ] - [ 0.0010242500000000, -0.0081900300000000, -0.0013954000000000 ] - [ -0.0051026200000000, 0.0038581000000000, 0.0053791800000000 ] - [ 0.0043981100000000, -0.0068780900000000, -0.0050375900000000 ] - [ -0.0007536600000000, 0.0026484500000000, 0.0006983700000000 ] - [ 0.0004391300000000, -0.0025607500000000, -0.0007140400000000 ] - [ -0.0015360500000000, 0.0029739700000000, -0.0000877200000000 ] - [ 0.0011395900000000, -0.0033100800000000, 0.0001555400000000 ] - [ 0.0007536600000000, 0.0026484500000000, -0.0006983700000000 ] - [ -0.0004391300000000, -0.0025607500000000, 0.0007140400000000 ] - [ 0.0015360500000000, 0.0029739700000000, 0.0000877200000000 ] - [ -0.0011395900000000, -0.0033100800000000, -0.0001555400000000 ] - [ -0.0055793800000000, -0.0022656500000000, -0.0005448900000000 ] - [ 0.0050144400000000, -0.0022711000000000, 0.0005374300000000 ] - [ -0.0019432300000000, -0.0022356000000000, -0.0052942300000000 ] - [ 0.0013559800000000, -0.0022345400000000, 0.0053045200000000 ] - [ -0.0021943100000000, 0.0099171200000000, -0.0024784100000000 ] - [ -0.0010242500000000, -0.0081900300000000, 0.0013954000000000 ] - [ 0.0051026200000000, 0.0038581000000000, -0.0053791800000000 ] - [ -0.0043981100000000, -0.0068780900000000, 0.0050375900000000 ] - [ 0.0003214100000000, 0.0093573700000000, 0.0000030000000000 ] - [ 0.0002945200000000, -0.0026269700000000, -0.0000016600000000 ] - [ 0.0003015600000000, 0.0016501600000000, 0.0000065200000000 ] - [ 0.0002855400000000, -0.0014410200000000, -0.0000059700000000 ] - [ 0.0000481900000000, -0.0064955300000000, 0.0000575500000000 ] - [ -0.0000106000000000, 0.0069956800000000, -0.0000041100000000 ] - [ -0.0000481900000000, -0.0064955300000000, -0.0000575500000000 ] - [ 0.0000106000000000, 0.0069956800000000, 0.0000041100000000 ] - [ -0.0185092300000000, 0.0239690800000000, 0.0179675600000000 ] - [ 0.0185520900000000, 0.0240120300000000, -0.0180284000000000 ] - [ 0.0185092300000000, 0.0239690800000000, -0.0179675600000000 ] - [ -0.0185520900000000, 0.0240120300000000, 0.0180284000000000 ] - [ 0.0000000000000000, -0.1240255600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0105678500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0091346300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0078512900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004179100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004416100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000063400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000297200000000, 0.0000000000000000 ]- atom: 73 displacement: [ -0.0057645400733883, 0.0000000000000000, 0.0081712959646742 ] forces: - [ 0.0062264700000000, 0.0004157000000000, -0.0058430600000000 ] - [ 0.0062264700000000, -0.0004157000000000, -0.0058430600000000 ] - [ -0.0017649900000000, 0.0001067000000000, 0.0026920700000000 ] - [ -0.0017649900000000, -0.0001067000000000, 0.0026920700000000 ] - [ -0.0183766600000000, 0.0000000000000000, 0.0024962900000000 ] - [ -0.0011961900000000, 0.0000000000000000, -0.0014258000000000 ] - [ 0.0048686100000000, 0.0000000000000000, 0.0194213100000000 ] - [ 0.0012372600000000, 0.0000000000000000, 0.0007923700000000 ] - [ -0.0182794600000000, 0.0000000000000000, 0.0033866200000000 ] - [ -0.0012761600000000, 0.0000000000000000, -0.0005391300000000 ] - [ 0.0048446400000000, 0.0000000000000000, 0.0205073700000000 ] - [ 0.0011549000000000, 0.0000000000000000, 0.0016895500000000 ] - [ 0.0062913900000000, -0.0003541700000000, -0.0067497900000000 ] - [ 0.0062913900000000, 0.0003541700000000, -0.0067497900000000 ] - [ -0.0016804100000000, -0.0001124700000000, 0.0018026000000000 ] - [ -0.0016804100000000, 0.0001124700000000, 0.0018026000000000 ] - [ 0.0021687200000000, -0.0001379200000000, -0.0000466700000000 ] - [ 0.0004176700000000, -0.0000382600000000, 0.0000675400000000 ] - [ -0.0024128400000000, 0.0008600800000000, 0.0003439100000000 ] - [ -0.0005226200000000, -0.0000579400000000, -0.0003110800000000 ] - [ -0.0020735100000000, -0.0012927700000000, 0.0091039000000000 ] - [ -0.0021128400000000, 0.0074816400000000, 0.0027414200000000 ] - [ 0.0053344400000000, -0.0014691800000000, -0.0061568400000000 ] - [ 0.0048017200000000, -0.0067755800000000, -0.0052926500000000 ] - [ -0.0016882900000000, 0.0020510800000000, 0.0082390400000000 ] - [ -0.0020902500000000, -0.0075639800000000, 0.0026886300000000 ] - [ 0.0053659800000000, 0.0013499200000000, -0.0062273500000000 ] - [ 0.0048214800000000, 0.0066693700000000, -0.0053428800000000 ] - [ -0.0071199800000000, 0.0000000000000000, 0.0082130500000000 ] - [ -0.0005567200000000, 0.0000000000000000, 0.0007746500000000 ] - [ 0.0021891100000000, 0.0000000000000000, -0.0010422600000000 ] - [ -0.0000692400000000, 0.0000000000000000, -0.0008971800000000 ] - [ 0.0021797100000000, 0.0002506600000000, 0.0000095200000000 ] - [ 0.0003934700000000, 0.0001389400000000, 0.0001260000000000 ] - [ -0.0024243100000000, -0.0007473000000000, 0.0003774600000000 ] - [ -0.0005471100000000, 0.0001570900000000, -0.0002521200000000 ] - [ 0.0073029200000000, -0.0030159900000000, 0.0038302700000000 ] - [ 0.0073029200000000, 0.0030159900000000, 0.0038302700000000 ] - [ -0.0031605300000000, 0.0030308400000000, -0.0067901300000000 ] - [ -0.0031605300000000, -0.0030308400000000, -0.0067901300000000 ] - [ -0.0016882900000000, -0.0020510800000000, 0.0082390400000000 ] - [ -0.0020902500000000, 0.0075639800000000, 0.0026886300000000 ] - [ 0.0053659800000000, -0.0013499200000000, -0.0062273500000000 ] - [ 0.0048214800000000, -0.0066693700000000, -0.0053428800000000 ] - [ 0.0021797100000000, -0.0002506600000000, 0.0000095200000000 ] - [ 0.0003934700000000, -0.0001389400000000, 0.0001260000000000 ] - [ -0.0024243100000000, 0.0007473000000000, 0.0003774600000000 ] - [ -0.0005471100000000, -0.0001570900000000, -0.0002521200000000 ] - [ 0.0021687200000000, 0.0001379200000000, -0.0000466700000000 ] - [ 0.0004176700000000, 0.0000382600000000, 0.0000675400000000 ] - [ -0.0024128400000000, -0.0008600800000000, 0.0003439100000000 ] - [ -0.0005226200000000, 0.0000579400000000, -0.0003110800000000 ] - [ 0.0067313300000000, 0.0030328700000000, 0.0038346000000000 ] - [ 0.0067313300000000, -0.0030328700000000, 0.0038346000000000 ] - [ -0.0037481400000000, -0.0030221000000000, -0.0067816500000000 ] - [ -0.0037481400000000, 0.0030221000000000, -0.0067816500000000 ] - [ -0.0020735100000000, 0.0012927700000000, 0.0091039000000000 ] - [ -0.0021128400000000, -0.0074816400000000, 0.0027414200000000 ] - [ 0.0053344400000000, 0.0014691800000000, -0.0061568400000000 ] - [ 0.0048017200000000, 0.0067755800000000, -0.0052926500000000 ] - [ -0.0065771200000000, 0.0000000000000000, 0.0081439400000000 ] - [ 0.0000290100000000, 0.0000000000000000, 0.0007698700000000 ] - [ 0.0027946700000000, 0.0000000000000000, -0.0010116300000000 ] - [ 0.0005085800000000, 0.0000000000000000, -0.0009066300000000 ] - [ -0.0030422000000000, 0.0000000000000000, -0.0045355300000000 ] - [ 0.0000198100000000, 0.0000000000000000, 0.0004619600000000 ] - [ -0.0031620900000000, 0.0000000000000000, -0.0046705700000000 ] - [ 0.0000223100000000, 0.0000000000000000, 0.0004723300000000 ] - [ -0.0195682700000000, 0.0270399000000000, 0.0174803300000000 ] - [ -0.0195682700000000, -0.0270399000000000, 0.0174803300000000 ] - [ -0.0196116800000000, -0.0271194300000000, 0.0175325800000000 ] - [ -0.0196116800000000, 0.0271194300000000, 0.0175325800000000 ] - [ 0.0697725000000000, 0.0000000000000000, -0.1027282700000000 ] - [ 0.0041036400000000, 0.0000000000000000, -0.0088255400000000 ] - [ -0.0066024200000000, 0.0000000000000000, 0.0089809100000000 ] - [ -0.0036037500000000, 0.0000000000000000, 0.0076552100000000 ] - [ -0.0058060400000000, 0.0000021900000000, -0.0035256500000000 ] - [ -0.0058060400000000, -0.0000021900000000, -0.0035256500000000 ] - [ 0.0063350200000000, 0.0000006500000000, 0.0038585600000000 ] - [ 0.0063350200000000, -0.0000006500000000, 0.0038585600000000 ]