# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d36b9741-f616-43c7-bac9-c7fda7ab5041/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 Tl9BiSe6 / I4/m (87) / materials id 675989](https://mdr.nims.go.jp/datasets/10ca8c3c-8401-4bd4-b8b1-889815f16dc3) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "I4/m" number: 87 Hall_symbol: "-I 4"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -4.167336830000000, 4.167336810000000, 6.325845490000000 ] # a - [ 4.167336830000000, -4.167336810000000, 6.325845490000000 ] # b - [ 4.167336810000000, 4.167336830000000, -6.325845490000000 ] # c points: - symbol: Tl # 1 coordinates: [ 0.993384780000000, 0.495635500000000, 0.798921280000000 ] mass: 204.383300 - symbol: Tl # 2 coordinates: [ 0.805536500000000, 0.006615220000000, 0.502250720000000 ] mass: 204.383300 - symbol: Tl # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 204.383300 - symbol: Tl # 4 coordinates: [ 0.696714220000000, 0.194463500000000, 0.201078720000000 ] mass: 204.383300 - symbol: Tl # 5 coordinates: [ 0.504364500000000, 0.303285780000000, 0.497749280000000 ] mass: 204.383300 - symbol: Tl # 6 coordinates: [ 0.495635500000000, 0.696714220000000, 0.502250720000000 ] mass: 204.383300 - symbol: Tl # 7 coordinates: [ 0.303285780000000, 0.805536500000000, 0.798921280000000 ] mass: 204.383300 - symbol: Tl # 8 coordinates: [ 0.194463500000000, 0.993384780000000, 0.497749280000000 ] mass: 204.383300 - symbol: Tl # 9 coordinates: [ 0.006615220000000, 0.504364500000000, 0.201078720000000 ] mass: 204.383300 - symbol: Bi # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 208.980400 - symbol: Se # 11 coordinates: [ 0.733621680000000, 0.733621680000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 12 coordinates: [ 0.826083300000000, 0.645129220000000, 0.471212520000000 ] mass: 78.960000 - symbol: Se # 13 coordinates: [ 0.645129220000000, 0.173916700000000, 0.819045920000000 ] mass: 78.960000 - symbol: Se # 14 coordinates: [ 0.266378320000000, 0.266378320000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 15 coordinates: [ 0.354870780000000, 0.826083300000000, 0.180954080000000 ] mass: 78.960000 - symbol: Se # 16 coordinates: [ 0.173916700000000, 0.354870780000000, 0.528787480000000 ] mass: 78.960000 reciprocal_lattice: # without 2pi - [ -0.000000000287907, 0.119980702687718, 0.079040817672580 ] # a* - [ 0.119980702687718, 0.000000000287907, 0.079040817672580 ] # b* - [ 0.119980702399811, 0.119980702975625, 0.000000000000000 ] # c*unit_cell: lattice: - [ 8.334673640000000, 0.000000020000000, 0.000000000000000 ] # a - [ -0.000000020000000, 8.334673640000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.651690980000000 ] # c points: - symbol: Tl # 1 coordinates: [ 0.150586000000000, 0.648335280000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 1 - symbol: Tl # 2 coordinates: [ 0.851664720000000, 0.650586000000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 2 - symbol: Tl # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 3 - symbol: Tl # 4 coordinates: [ 0.849414000000000, 0.351664720000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 4 - symbol: Tl # 5 coordinates: [ 0.148335280000000, 0.349414000000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 6 coordinates: [ 0.351664720000000, 0.150586000000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 6 - symbol: Tl # 7 coordinates: [ 0.650586000000000, 0.148335280000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 7 - symbol: Tl # 8 coordinates: [ 0.648335280000000, 0.849414000000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 8 - symbol: Tl # 9 coordinates: [ 0.349414000000000, 0.851664720000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 9 - symbol: Tl # 10 coordinates: [ 0.650586000000000, 0.148335280000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 1 - symbol: Tl # 11 coordinates: [ 0.351664720000000, 0.150586000000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 2 - symbol: Tl # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 3 - symbol: Tl # 13 coordinates: [ 0.349414000000000, 0.851664720000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 4 - symbol: Tl # 14 coordinates: [ 0.648335280000000, 0.849414000000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 15 coordinates: [ 0.851664720000000, 0.650586000000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 6 - symbol: Tl # 16 coordinates: [ 0.150586000000000, 0.648335280000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 7 - symbol: Tl # 17 coordinates: [ 0.148335280000000, 0.349414000000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 8 - symbol: Tl # 18 coordinates: [ 0.849414000000000, 0.351664720000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 9 - symbol: Bi # 19 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 19 - symbol: Se # 21 coordinates: [ 0.500000000000000, 0.500000000000000, 0.233621680000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 22 coordinates: [ 0.145129220000000, 0.326083300000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 23 coordinates: [ 0.673916700000000, 0.145129220000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.266378320000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 25 coordinates: [ 0.826083300000000, 0.354870780000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.354870780000000, 0.173916700000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 27 coordinates: [ 0.000000000000000, 0.000000000000000, 0.733621680000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 28 coordinates: [ 0.645129220000000, 0.826083300000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 29 coordinates: [ 0.173916700000000, 0.645129220000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 30 coordinates: [ 0.500000000000000, 0.500000000000000, 0.766378320000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 31 coordinates: [ 0.326083300000000, 0.854870780000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 32 coordinates: [ 0.854870780000000, 0.673916700000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 26supercell: lattice: - [ 16.669347280000000, 0.000000040000000, 0.000000000000000 ] # a - [ -0.000000040000000, 16.669347280000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.651690980000000 ] # c points: - symbol: Tl # 1 coordinates: [ 0.075293000000000, 0.324167640000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 1 - symbol: Tl # 2 coordinates: [ 0.575293000000000, 0.324167640000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 1 - symbol: Tl # 3 coordinates: [ 0.075293000000000, 0.824167640000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 1 - symbol: Tl # 4 coordinates: [ 0.575293000000000, 0.824167640000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 1 - symbol: Tl # 5 coordinates: [ 0.425832360000000, 0.325293000000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 6 coordinates: [ 0.925832360000000, 0.325293000000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 7 coordinates: [ 0.425832360000000, 0.825293000000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 8 coordinates: [ 0.925832360000000, 0.825293000000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 9 - symbol: Tl # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 9 - symbol: Tl # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 9 - symbol: Tl # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 9 - symbol: Tl # 13 coordinates: [ 0.424707000000000, 0.175832360000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 13 - symbol: Tl # 14 coordinates: [ 0.924707000000000, 0.175832360000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 13 - symbol: Tl # 15 coordinates: [ 0.424707000000000, 0.675832360000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 13 - symbol: Tl # 16 coordinates: [ 0.924707000000000, 0.675832360000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 13 - symbol: Tl # 17 coordinates: [ 0.074167640000000, 0.174707000000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 18 coordinates: [ 0.574167640000000, 0.174707000000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 19 coordinates: [ 0.074167640000000, 0.674707000000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 20 coordinates: [ 0.574167640000000, 0.674707000000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 21 coordinates: [ 0.175832360000000, 0.075293000000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 22 coordinates: [ 0.675832360000000, 0.075293000000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 23 coordinates: [ 0.175832360000000, 0.575293000000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 24 coordinates: [ 0.675832360000000, 0.575293000000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 25 coordinates: [ 0.325293000000000, 0.074167640000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 25 - symbol: Tl # 26 coordinates: [ 0.825293000000000, 0.074167640000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 25 - symbol: Tl # 27 coordinates: [ 0.325293000000000, 0.574167640000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 25 - symbol: Tl # 28 coordinates: [ 0.825293000000000, 0.574167640000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 25 - symbol: Tl # 29 coordinates: [ 0.324167640000000, 0.424707000000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 29 - symbol: Tl # 30 coordinates: [ 0.824167640000000, 0.424707000000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 29 - symbol: Tl # 31 coordinates: [ 0.324167640000000, 0.924707000000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 29 - symbol: Tl # 32 coordinates: [ 0.824167640000000, 0.924707000000000, 0.345049500000000 ] mass: 204.383300 reduced_to: 29 - symbol: Tl # 33 coordinates: [ 0.174707000000000, 0.425832360000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 33 - symbol: Tl # 34 coordinates: [ 0.674707000000000, 0.425832360000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 33 - symbol: Tl # 35 coordinates: [ 0.174707000000000, 0.925832360000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 33 - symbol: Tl # 36 coordinates: [ 0.674707000000000, 0.925832360000000, 0.154950500000000 ] mass: 204.383300 reduced_to: 33 - symbol: Tl # 37 coordinates: [ 0.325293000000000, 0.074167640000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 1 - symbol: Tl # 38 coordinates: [ 0.825293000000000, 0.074167640000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 1 - symbol: Tl # 39 coordinates: [ 0.325293000000000, 0.574167640000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 1 - symbol: Tl # 40 coordinates: [ 0.825293000000000, 0.574167640000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 1 - symbol: Tl # 41 coordinates: [ 0.175832360000000, 0.075293000000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 42 coordinates: [ 0.675832360000000, 0.075293000000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 43 coordinates: [ 0.175832360000000, 0.575293000000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 44 coordinates: [ 0.675832360000000, 0.575293000000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 45 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 9 - symbol: Tl # 46 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 9 - symbol: Tl # 47 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 9 - symbol: Tl # 48 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 9 - symbol: Tl # 49 coordinates: [ 0.174707000000000, 0.425832360000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 13 - symbol: Tl # 50 coordinates: [ 0.674707000000000, 0.425832360000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 13 - symbol: Tl # 51 coordinates: [ 0.174707000000000, 0.925832360000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 13 - symbol: Tl # 52 coordinates: [ 0.674707000000000, 0.925832360000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 13 - symbol: Tl # 53 coordinates: [ 0.324167640000000, 0.424707000000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 54 coordinates: [ 0.824167640000000, 0.424707000000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 55 coordinates: [ 0.324167640000000, 0.924707000000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 56 coordinates: [ 0.824167640000000, 0.924707000000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 57 coordinates: [ 0.425832360000000, 0.325293000000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 58 coordinates: [ 0.925832360000000, 0.325293000000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 59 coordinates: [ 0.425832360000000, 0.825293000000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 60 coordinates: [ 0.925832360000000, 0.825293000000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 61 coordinates: [ 0.075293000000000, 0.324167640000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 25 - symbol: Tl # 62 coordinates: [ 0.575293000000000, 0.324167640000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 25 - symbol: Tl # 63 coordinates: [ 0.075293000000000, 0.824167640000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 25 - symbol: Tl # 64 coordinates: [ 0.575293000000000, 0.824167640000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 25 - symbol: Tl # 65 coordinates: [ 0.074167640000000, 0.174707000000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 29 - symbol: Tl # 66 coordinates: [ 0.574167640000000, 0.174707000000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 29 - symbol: Tl # 67 coordinates: [ 0.074167640000000, 0.674707000000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 29 - symbol: Tl # 68 coordinates: [ 0.574167640000000, 0.674707000000000, 0.845049500000000 ] mass: 204.383300 reduced_to: 29 - symbol: Tl # 69 coordinates: [ 0.424707000000000, 0.175832360000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 33 - symbol: Tl # 70 coordinates: [ 0.924707000000000, 0.175832360000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 33 - symbol: Tl # 71 coordinates: [ 0.424707000000000, 0.675832360000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 33 - symbol: Tl # 72 coordinates: [ 0.924707000000000, 0.675832360000000, 0.654950500000000 ] mass: 204.383300 reduced_to: 33 - symbol: Bi # 73 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 74 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 75 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 76 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 78 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 79 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Bi # 80 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 73 - symbol: Se # 81 coordinates: [ 0.250000000000000, 0.250000000000000, 0.233621680000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 82 coordinates: [ 0.750000000000000, 0.250000000000000, 0.233621680000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 83 coordinates: [ 0.250000000000000, 0.750000000000000, 0.233621680000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 84 coordinates: [ 0.750000000000000, 0.750000000000000, 0.233621680000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 85 coordinates: [ 0.072564610000000, 0.163041650000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 86 coordinates: [ 0.572564610000000, 0.163041650000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 87 coordinates: [ 0.072564610000000, 0.663041650000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 88 coordinates: [ 0.572564610000000, 0.663041650000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 89 coordinates: [ 0.336958350000000, 0.072564610000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 90 coordinates: [ 0.836958350000000, 0.072564610000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 91 coordinates: [ 0.336958350000000, 0.572564610000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 92 coordinates: [ 0.836958350000000, 0.572564610000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.266378320000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 94 coordinates: [ 0.500000000000000, 0.000000000000000, 0.266378320000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.266378320000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.266378320000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 97 coordinates: [ 0.413041650000000, 0.177435390000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 98 coordinates: [ 0.913041650000000, 0.177435390000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 99 coordinates: [ 0.413041650000000, 0.677435390000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 100 coordinates: [ 0.913041650000000, 0.677435390000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 101 coordinates: [ 0.177435390000000, 0.086958350000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 101 - symbol: Se # 102 coordinates: [ 0.677435390000000, 0.086958350000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 101 - symbol: Se # 103 coordinates: [ 0.177435390000000, 0.586958350000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 101 - symbol: Se # 104 coordinates: [ 0.677435390000000, 0.586958350000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 101 - symbol: Se # 105 coordinates: [ 0.000000000000000, 0.000000000000000, 0.733621680000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 106 coordinates: [ 0.500000000000000, 0.000000000000000, 0.733621680000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 107 coordinates: [ 0.000000000000000, 0.500000000000000, 0.733621680000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 108 coordinates: [ 0.500000000000000, 0.500000000000000, 0.733621680000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 109 coordinates: [ 0.322564610000000, 0.413041650000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 110 coordinates: [ 0.822564610000000, 0.413041650000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 111 coordinates: [ 0.322564610000000, 0.913041650000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 112 coordinates: [ 0.822564610000000, 0.913041650000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 113 coordinates: [ 0.086958350000000, 0.322564610000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 114 coordinates: [ 0.586958350000000, 0.322564610000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 115 coordinates: [ 0.086958350000000, 0.822564610000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 116 coordinates: [ 0.586958350000000, 0.822564610000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 117 coordinates: [ 0.250000000000000, 0.250000000000000, 0.766378320000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 118 coordinates: [ 0.750000000000000, 0.250000000000000, 0.766378320000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 119 coordinates: [ 0.250000000000000, 0.750000000000000, 0.766378320000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 120 coordinates: [ 0.750000000000000, 0.750000000000000, 0.766378320000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 121 coordinates: [ 0.163041650000000, 0.427435390000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 122 coordinates: [ 0.663041650000000, 0.427435390000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 123 coordinates: [ 0.163041650000000, 0.927435390000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 124 coordinates: [ 0.663041650000000, 0.927435390000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 125 coordinates: [ 0.427435390000000, 0.336958350000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 101 - symbol: Se # 126 coordinates: [ 0.927435390000000, 0.336958350000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 101 - symbol: Se # 127 coordinates: [ 0.427435390000000, 0.836958350000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 101 - symbol: Se # 128 coordinates: [ 0.927435390000000, 0.836958350000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 101displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000239961, 0.0000000000000000 ] forces: - [ -0.0189093700000000, -0.0057757600000000, -0.0027378400000000 ] - [ 0.0001738300000000, -0.0000661900000000, -0.0000699800000000 ] - [ -0.0002152000000000, -0.0000700500000000, -0.0001761900000000 ] - [ 0.0000333300000000, -0.0000548300000000, -0.0000203400000000 ] - [ 0.0005477800000000, 0.0001341200000000, -0.0000924000000000 ] - [ 0.0034220100000000, -0.0000509600000000, 0.0042036300000000 ] - [ 0.0000906700000000, -0.0000363200000000, 0.0000463400000000 ] - [ 0.0000856100000000, -0.0000924600000000, 0.0001183100000000 ] - [ -0.0001412400000000, -0.0000011800000000, 0.0000197300000000 ] - [ 0.0001430700000000, -0.0000299100000000, -0.0000229700000000 ] - [ -0.0002757900000000, 0.0000854200000000, 0.0002422700000000 ] - [ 0.0001928000000000, 0.0000204800000000, -0.0000415500000000 ] - [ 0.0004448900000000, -0.0001331200000000, 0.0001952800000000 ] - [ 0.0024592900000000, 0.0042185200000000, -0.0002236100000000 ] - [ 0.0001500200000000, 0.0000550000000000, -0.0000350100000000 ] - [ 0.0002544000000000, -0.0003312900000000, -0.0003441300000000 ] - [ -0.0015872100000000, 0.0000623900000000, 0.0002344800000000 ] - [ 0.0002294500000000, 0.0000922600000000, 0.0000240700000000 ] - [ -0.0005684100000000, -0.0001349400000000, 0.0003135800000000 ] - [ 0.0000831500000000, 0.0000359500000000, -0.0000341000000000 ] - [ -0.0002417500000000, -0.0006288100000000, 0.0002184300000000 ] - [ 0.0001471600000000, 0.0000802800000000, -0.0000435000000000 ] - [ -0.0002683400000000, 0.0007125700000000, -0.0003167500000000 ] - [ 0.0001649800000000, -0.0000748500000000, -0.0000439200000000 ] - [ 0.0002267500000000, -0.0004985200000000, -0.0001637100000000 ] - [ 0.0000718900000000, 0.0000828700000000, 0.0000804500000000 ] - [ 0.0000723900000000, 0.0001506700000000, -0.0000123500000000 ] - [ 0.0002270800000000, -0.0002269400000000, 0.0001298500000000 ] - [ 0.0012237900000000, 0.0006323200000000, 0.0001421200000000 ] - [ 0.0013567900000000, -0.0007082300000000, 0.0004951300000000 ] - [ 0.0000022500000000, -0.0000806800000000, 0.0000111500000000 ] - [ 0.0000048400000000, 0.0000745600000000, -0.0000201400000000 ] - [ 0.0006141400000000, 0.0024199800000000, -0.0034641200000000 ] - [ 0.0002147000000000, -0.0000237000000000, 0.0000754900000000 ] - [ -0.0001083600000000, -0.0000456700000000, 0.0000219100000000 ] - [ 0.0000761800000000, 0.0000177500000000, -0.0000093700000000 ] - [ -0.0000323700000000, -0.0000593100000000, -0.0000315000000000 ] - [ 0.0000421900000000, 0.0000192100000000, -0.0000285700000000 ] - [ 0.0000417900000000, 0.0000334500000000, 0.0000097800000000 ] - [ -0.0000319000000000, -0.0001927500000000, -0.0001296400000000 ] - [ -0.0000347600000000, -0.0001224500000000, -0.0000721700000000 ] - [ 0.0001700200000000, -0.0000018800000000, 0.0000050100000000 ] - [ 0.0000248100000000, 0.0008532400000000, 0.0002945500000000 ] - [ 0.0001830100000000, -0.0001530300000000, 0.0001310300000000 ] - [ 0.0024799600000000, -0.0016458500000000, 0.0021918000000000 ] - [ 0.0008442500000000, 0.0003547800000000, -0.0000274400000000 ] - [ -0.0000634800000000, -0.0000024000000000, -0.0000251800000000 ] - [ 0.0000318100000000, -0.0000342800000000, 0.0000089800000000 ] - [ -0.0001094900000000, -0.0000110400000000, -0.0000030100000000 ] - [ 0.0002609800000000, 0.0000879900000000, -0.0001111300000000 ] - [ -0.0001051800000000, 0.0000190200000000, -0.0000128200000000 ] - [ 0.0000864400000000, 0.0000156100000000, -0.0000376000000000 ] - [ 0.0004235500000000, 0.0001236400000000, 0.0001222300000000 ] - [ 0.0007320700000000, -0.0008553900000000, -0.0006676100000000 ] - [ 0.0000009500000000, 0.0000017700000000, 0.0000034000000000 ] - [ 0.0000065200000000, 0.0001522800000000, -0.0000744400000000 ] - [ 0.0002325000000000, -0.0000749900000000, -0.0000325100000000 ] - [ -0.0002719600000000, 0.0000729800000000, -0.0001526400000000 ] - [ 0.0001225900000000, 0.0000004900000000, -0.0000023000000000 ] - [ -0.0000140900000000, -0.0000349800000000, -0.0000294900000000 ] - [ -0.0017594100000000, -0.0003573800000000, 0.0000885700000000 ] - [ 0.0001445800000000, 0.0000074100000000, 0.0000275400000000 ] - [ -0.0001192200000000, -0.0000419200000000, 0.0000068200000000 ] - [ 0.0000888000000000, -0.0000106400000000, 0.0000560400000000 ] - [ -0.0002072600000000, -0.0000732800000000, -0.0000768600000000 ] - [ 0.0001040600000000, 0.0000351600000000, -0.0000078400000000 ] - [ -0.0002704900000000, 0.0000749100000000, 0.0000305800000000 ] - [ 0.0001033300000000, -0.0000010200000000, 0.0000430200000000 ] - [ 0.0001882500000000, -0.0000256100000000, 0.0000174200000000 ] - [ -0.0001737500000000, 0.0007446500000000, -0.0004262900000000 ] - [ 0.0001143800000000, -0.0000150800000000, 0.0000531100000000 ] - [ -0.0000003600000000, -0.0000166300000000, 0.0000223600000000 ] - [ -0.0002337000000000, -0.0000920400000000, -0.0019991300000000 ] - [ 0.0001869800000000, 0.0001841500000000, 0.0002804500000000 ] - [ -0.0000629200000000, 0.0001452300000000, 0.0001525200000000 ] - [ 0.0001237100000000, -0.0001102900000000, -0.0000095300000000 ] - [ -0.0004607500000000, -0.0002709300000000, -0.0001359300000000 ] - [ 0.0002960800000000, 0.0000237900000000, 0.0000621100000000 ] - [ -0.0027072000000000, -0.0033192700000000, -0.0022836400000000 ] - [ 0.0002800900000000, 0.0001291100000000, 0.0001328700000000 ] - [ 0.0015224600000000, -0.0002961900000000, 0.0008739900000000 ] - [ -0.0005516500000000, -0.0000620800000000, -0.0003642200000000 ] - [ 0.0001333100000000, -0.0000881100000000, -0.0000137600000000 ] - [ -0.0000814100000000, 0.0000767700000000, -0.0000558300000000 ] - [ 0.0004865000000000, 0.0007140000000000, -0.0002422100000000 ] - [ -0.0005513300000000, -0.0000596600000000, -0.0001095500000000 ] - [ 0.0005582800000000, 0.0004534200000000, 0.0001473000000000 ] - [ -0.0003307500000000, 0.0000444300000000, -0.0000634800000000 ] - [ -0.0003053400000000, 0.0003075500000000, -0.0000679000000000 ] - [ -0.0001330000000000, -0.0004974200000000, 0.0005389700000000 ] - [ -0.0001446400000000, -0.0002793000000000, -0.0001525300000000 ] - [ 0.0004935400000000, 0.0000405200000000, -0.0000356100000000 ] - [ 0.0002756100000000, -0.0003129900000000, -0.0000009800000000 ] - [ -0.0001706100000000, 0.0000597700000000, 0.0000222600000000 ] - [ 0.0007991000000000, 0.0000213400000000, 0.0001686100000000 ] - [ -0.0003656100000000, -0.0001512400000000, 0.0000831200000000 ] - [ -0.0002009200000000, 0.0001343500000000, 0.0001536500000000 ] - [ 0.0000776100000000, -0.0004213600000000, -0.0004111500000000 ] - [ -0.0000562200000000, -0.0000597200000000, -0.0000254800000000 ] - [ 0.0001339700000000, 0.0002768700000000, 0.0000762600000000 ] - [ 0.0002586000000000, 0.0002428100000000, 0.0001367400000000 ] - [ -0.0001467400000000, -0.0001223700000000, -0.0000214900000000 ] - [ 0.0001282700000000, -0.0004488800000000, 0.0000861200000000 ] - [ -0.0002118600000000, 0.0001316000000000, -0.0000807300000000 ] - [ 0.0002005700000000, -0.0001098100000000, 0.0000381200000000 ] - [ -0.0001155800000000, 0.0000133700000000, -0.0000606100000000 ] - [ 0.0005168500000000, 0.0001442900000000, 0.0000269600000000 ] - [ -0.0002397000000000, -0.0000368300000000, -0.0001228900000000 ] - [ -0.0004992700000000, -0.0000203100000000, 0.0004614600000000 ] - [ -0.0004073200000000, 0.0001860400000000, -0.0003170000000000 ] - [ 0.0000080700000000, 0.0000043200000000, 0.0000456400000000 ] - [ -0.0001272800000000, 0.0000096300000000, -0.0000605800000000 ] - [ 0.0008526100000000, 0.0001810600000000, 0.0001506400000000 ] - [ -0.0004185000000000, -0.0001855600000000, 0.0000869400000000 ] - [ 0.0002041200000000, 0.0000662000000000, -0.0001092800000000 ] - [ -0.0001756600000000, -0.0000506600000000, -0.0000063500000000 ] - [ 0.0001271400000000, -0.0000069500000000, 0.0003871300000000 ] - [ -0.0000110000000000, -0.0000525100000000, 0.0001106500000000 ] - [ -0.0000858500000000, -0.0002594700000000, 0.0000847900000000 ] - [ -0.0000577900000000, 0.0000483800000000, 0.0000859000000000 ] - [ 0.0049084500000000, 0.0041107500000000, 0.0046453000000000 ] - [ -0.0003276500000000, 0.0000936200000000, 0.0000129100000000 ] - [ 0.0002698800000000, 0.0002195600000000, -0.0000083700000000 ] - [ -0.0001997100000000, 0.0000560200000000, -0.0000153000000000 ] - [ -0.0003676300000000, -0.0001353500000000, -0.0000711000000000 ] - [ 0.0031312400000000, 0.0003869100000000, -0.0021904800000000 ] - [ -0.0000720500000000, -0.0000152800000000, -0.0000494300000000 ] - [ 0.0002159900000000, 0.0002813100000000, 0.0001697100000000 ]- atom: 1 displacement: [ -0.0100000000000000, -0.0000000000239961, 0.0000000000000000 ] forces: - [ 0.0189964500000000, 0.0056440900000000, 0.0025443300000000 ] - [ -0.0002242700000000, 0.0000244200000000, 0.0000200000000000 ] - [ 0.0001652500000000, 0.0000292700000000, 0.0001271400000000 ] - [ -0.0000827600000000, 0.0000138200000000, -0.0000289900000000 ] - [ -0.0005072000000000, -0.0001850500000000, 0.0001410000000000 ] - [ -0.0034328500000000, 0.0000051500000000, -0.0042354700000000 ] - [ -0.0000499000000000, -0.0000139000000000, 0.0000016400000000 ] - [ -0.0000452800000000, 0.0000425500000000, -0.0000701600000000 ] - [ 0.0001412100000000, 0.0000005000000000, -0.0000198100000000 ] - [ -0.0001432700000000, 0.0000293200000000, 0.0000224700000000 ] - [ 0.0002751500000000, -0.0000849300000000, -0.0002417000000000 ] - [ -0.0001929700000000, -0.0000203300000000, 0.0000410400000000 ] - [ -0.0003927800000000, 0.0001751300000000, -0.0002447100000000 ] - [ -0.0024419300000000, -0.0042518300000000, 0.0001782600000000 ] - [ -0.0001011900000000, -0.0000138500000000, -0.0000136500000000 ] - [ -0.0002057400000000, 0.0003719000000000, 0.0002927800000000 ] - [ 0.0015443000000000, 0.0000062800000000, -0.0001643100000000 ] - [ -0.0002707600000000, -0.0000427000000000, 0.0000244800000000 ] - [ 0.0005266900000000, 0.0001842300000000, -0.0002655800000000 ] - [ -0.0001244900000000, 0.0000135700000000, 0.0000820300000000 ] - [ 0.0002774600000000, 0.0005781600000000, -0.0002644500000000 ] - [ -0.0001069800000000, -0.0001299200000000, -0.0000052600000000 ] - [ 0.0003080800000000, -0.0007633200000000, 0.0002697500000000 ] - [ -0.0001249400000000, 0.0000261500000000, -0.0000049600000000 ] - [ -0.0002754600000000, 0.0004560800000000, 0.0002104300000000 ] - [ -0.0001223400000000, -0.0001242400000000, -0.0000324100000000 ] - [ -0.0001219000000000, -0.0001911200000000, 0.0000602000000000 ] - [ -0.0002751000000000, 0.0001866800000000, -0.0000809800000000 ] - [ -0.0012507300000000, -0.0005745700000000, -0.0001877800000000 ] - [ -0.0014140800000000, 0.0007677200000000, -0.0005456300000000 ] - [ -0.0000434500000000, 0.0001295600000000, -0.0000598800000000 ] - [ -0.0000454600000000, -0.0000264000000000, -0.0000284800000000 ] - [ -0.0005776300000000, -0.0023547300000000, 0.0034828100000000 ] - [ -0.0001666200000000, 0.0000650700000000, -0.0000277100000000 ] - [ 0.0001569400000000, 0.0000863900000000, 0.0000266000000000 ] - [ -0.0000269600000000, 0.0000222300000000, 0.0000574600000000 ] - [ -0.0000182700000000, 0.0000181800000000, -0.0000184700000000 ] - [ -0.0000913800000000, -0.0000604300000000, -0.0000202900000000 ] - [ -0.0000917300000000, -0.0000751600000000, -0.0000592800000000 ] - [ -0.0000178100000000, 0.0001522900000000, 0.0000801500000000 ] - [ 0.0000701100000000, 0.0000736600000000, 0.0001171200000000 ] - [ -0.0001306100000000, -0.0000476400000000, 0.0000430300000000 ] - [ 0.0000163900000000, -0.0009103400000000, -0.0002484600000000 ] - [ -0.0001424600000000, 0.0001031800000000, -0.0000823400000000 ] - [ -0.0024503300000000, 0.0016232600000000, -0.0021551500000000 ] - [ -0.0008481900000000, -0.0003548300000000, 0.0000264100000000 ] - [ 0.0000628700000000, 0.0000020900000000, 0.0000241600000000 ] - [ -0.0000315800000000, 0.0000350100000000, -0.0000099000000000 ] - [ 0.0001592300000000, 0.0000535600000000, -0.0000470000000000 ] - [ -0.0002122000000000, -0.0000464600000000, 0.0000621900000000 ] - [ 0.0001549600000000, 0.0000223400000000, -0.0000365900000000 ] - [ -0.0000371100000000, 0.0000252700000000, -0.0000111200000000 ] - [ -0.0004721600000000, -0.0000724300000000, -0.0000748900000000 ] - [ -0.0007795500000000, 0.0009081900000000, 0.0007182400000000 ] - [ -0.0000428600000000, 0.0000475800000000, 0.0000459600000000 ] - [ -0.0000471300000000, -0.0001038900000000, 0.0001228000000000 ] - [ -0.0001918800000000, 0.0000264100000000, -0.0000167300000000 ] - [ 0.0003129000000000, -0.0001221300000000, 0.0001043100000000 ] - [ -0.0000820300000000, -0.0000506300000000, -0.0000462900000000 ] - [ 0.0000547400000000, -0.0000140000000000, -0.0000195500000000 ] - [ 0.0017162600000000, 0.0003154900000000, -0.0000492500000000 ] - [ -0.0001946600000000, -0.0000484300000000, 0.0000231800000000 ] - [ 0.0000688500000000, 0.0000013100000000, 0.0000433700000000 ] - [ -0.0001386700000000, -0.0000302600000000, -0.0000075800000000 ] - [ 0.0001662900000000, 0.0001218600000000, 0.0000281200000000 ] - [ -0.0001450600000000, 0.0000141900000000, -0.0000412700000000 ] - [ 0.0002303500000000, -0.0000264300000000, -0.0000807800000000 ] - [ -0.0001448000000000, 0.0000501600000000, -0.0000921100000000 ] - [ -0.0001386900000000, 0.0000659600000000, 0.0000311600000000 ] - [ 0.0002257900000000, -0.0007096000000000, 0.0004750000000000 ] - [ -0.0000653600000000, 0.0000557300000000, -0.0000049700000000 ] - [ 0.0000491200000000, 0.0000583800000000, 0.0000262100000000 ] - [ 0.0002343300000000, 0.0000910000000000, 0.0019870700000000 ] - [ -0.0001881900000000, -0.0001846100000000, -0.0002816600000000 ] - [ 0.0000633300000000, -0.0001446100000000, -0.0001531000000000 ] - [ -0.0001243900000000, 0.0001104200000000, 0.0000101200000000 ] - [ 0.0004670300000000, 0.0002794400000000, 0.0001386400000000 ] - [ -0.0002944400000000, -0.0000230200000000, -0.0000618000000000 ] - [ 0.0027286500000000, 0.0033315200000000, 0.0022804900000000 ] - [ -0.0002817200000000, -0.0001266400000000, -0.0001313300000000 ] - [ -0.0014312200000000, 0.0002625700000000, -0.0010333700000000 ] - [ 0.0005541200000000, 0.0000623400000000, 0.0002413400000000 ] - [ -0.0001344600000000, 0.0000880500000000, -0.0001108200000000 ] - [ 0.0000799500000000, -0.0000761900000000, -0.0000697000000000 ] - [ -0.0006164000000000, -0.0007109800000000, 0.0002471600000000 ] - [ 0.0004218800000000, 0.0000679300000000, 0.0001119500000000 ] - [ -0.0006896800000000, -0.0004468800000000, -0.0001496100000000 ] - [ 0.0002018100000000, -0.0000342300000000, 0.0000630800000000 ] - [ 0.0002915700000000, -0.0004322600000000, 0.0000669100000000 ] - [ 0.0001239300000000, 0.0003727200000000, -0.0005421100000000 ] - [ 0.0001364200000000, 0.0001506200000000, 0.0001485400000000 ] - [ -0.0005066600000000, -0.0001706500000000, 0.0000363900000000 ] - [ -0.0002774100000000, 0.0003146000000000, 0.0001253500000000 ] - [ 0.0001697300000000, -0.0000597400000000, 0.0001016300000000 ] - [ -0.0008106700000000, 0.0000033800000000, -0.0000506800000000 ] - [ 0.0003646600000000, 0.0001508600000000, 0.0000416000000000 ] - [ 0.0002110000000000, -0.0000048600000000, -0.0001530400000000 ] - [ -0.0000688800000000, 0.0005527500000000, 0.0004117000000000 ] - [ 0.0000671700000000, 0.0001890000000000, 0.0000259300000000 ] - [ -0.0001232200000000, -0.0001490100000000, -0.0000753000000000 ] - [ -0.0001242900000000, -0.0002553400000000, -0.0001402600000000 ] - [ 0.0002759100000000, 0.0001115300000000, 0.0000205000000000 ] - [ -0.0000013000000000, 0.0004363100000000, -0.0000868500000000 ] - [ 0.0003395800000000, -0.0001430200000000, 0.0000800800000000 ] - [ -0.0002025700000000, 0.0001105100000000, -0.0001632100000000 ] - [ 0.0001158600000000, -0.0000131300000000, -0.0000648900000000 ] - [ -0.0005179300000000, -0.0001473600000000, -0.0001545300000000 ] - [ 0.0002415500000000, 0.0000382400000000, -0.0000023000000000 ] - [ 0.0003712400000000, 0.0000285700000000, -0.0004602300000000 ] - [ 0.0002792200000000, -0.0001749900000000, 0.0003153500000000 ] - [ -0.0001364100000000, 0.0000068800000000, -0.0000456400000000 ] - [ -0.0000016700000000, 0.0000021800000000, 0.0000604300000000 ] - [ -0.0008642400000000, -0.0003064500000000, -0.0001496700000000 ] - [ 0.0004081700000000, 0.0000576800000000, -0.0000868900000000 ] - [ -0.0002161200000000, -0.0001950900000000, 0.0001098100000000 ] - [ 0.0001644900000000, -0.0000769300000000, 0.0000064600000000 ] - [ -0.0001294100000000, 0.0000073600000000, -0.0002633000000000 ] - [ 0.0000109200000000, 0.0000524800000000, 0.0000137600000000 ] - [ 0.0000874500000000, 0.0002614400000000, 0.0000410000000000 ] - [ 0.0000583400000000, -0.0000487100000000, 0.0000376900000000 ] - [ -0.0048459800000000, -0.0038694500000000, -0.0045125600000000 ] - [ 0.0003397500000000, 0.0000347000000000, -0.0000122100000000 ] - [ -0.0002590200000000, -0.0000903700000000, 0.0000074600000000 ] - [ 0.0002099800000000, 0.0000735600000000, 0.0000154000000000 ] - [ 0.0004944300000000, 0.0001219200000000, 0.0000688200000000 ] - [ -0.0031719900000000, -0.0003761800000000, 0.0023477800000000 ] - [ 0.0001994800000000, 0.0000030700000000, 0.0000486400000000 ] - [ -0.0000915200000000, -0.0002957800000000, -0.0001659100000000 ]- atom: 1 displacement: [ -0.0000000000239961, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0057394800000000, -0.0194614000000000, -0.0071852600000000 ] - [ -0.0000700500000000, -0.0001724800000000, -0.0001755300000000 ] - [ -0.0000740800000000, 0.0002626500000000, 0.0000062800000000 ] - [ -0.0000590000000000, 0.0000707200000000, 0.0000382900000000 ] - [ -0.0002877900000000, -0.0005721100000000, 0.0001832600000000 ] - [ 0.0001871200000000, -0.0015908500000000, 0.0001448000000000 ] - [ 0.0000237400000000, 0.0000789000000000, 0.0000150500000000 ] - [ 0.0000699400000000, 0.0002243200000000, 0.0000350900000000 ] - [ 0.0000666000000000, 0.0001190000000000, 0.0000877300000000 ] - [ -0.0000503500000000, 0.0001181200000000, -0.0000091700000000 ] - [ 0.0000102200000000, -0.0002206000000000, -0.0004681800000000 ] - [ 0.0000280700000000, -0.0000721500000000, 0.0000440900000000 ] - [ -0.0001297200000000, 0.0002355200000000, -0.0002804500000000 ] - [ 0.0042227300000000, 0.0026577800000000, -0.0002251600000000 ] - [ 0.0000590900000000, 0.0001539300000000, -0.0000494500000000 ] - [ -0.0003262400000000, 0.0008155400000000, 0.0002544100000000 ] - [ -0.0001746300000000, 0.0034283300000000, 0.0041776400000000 ] - [ -0.0000703600000000, 0.0000901600000000, 0.0000961300000000 ] - [ 0.0002867700000000, 0.0005525700000000, -0.0003751000000000 ] - [ -0.0000241200000000, 0.0000948600000000, 0.0000155800000000 ] - [ -0.0007455300000000, 0.0012037000000000, 0.0002900900000000 ] - [ 0.0000964600000000, -0.0000016900000000, -0.0000228800000000 ] - [ 0.0008510800000000, 0.0013678400000000, -0.0001567400000000 ] - [ -0.0001151000000000, 0.0000003100000000, -0.0000149200000000 ] - [ -0.0002314900000000, 0.0002960200000000, 0.0001151100000000 ] - [ 0.0001453400000000, 0.0000936100000000, 0.0001111700000000 ] - [ 0.0000782700000000, 0.0000938500000000, -0.0001135900000000 ] - [ -0.0005029600000000, 0.0002950300000000, -0.0003212400000000 ] - [ 0.0007513300000000, -0.0002356400000000, -0.0002882600000000 ] - [ -0.0008482100000000, -0.0002662400000000, 0.0000261700000000 ] - [ -0.0000967900000000, 0.0001512400000000, -0.0000263300000000 ] - [ 0.0001145600000000, 0.0001688200000000, 0.0000440800000000 ] - [ 0.0024223200000000, -0.0000687800000000, -0.0034699100000000 ] - [ -0.0000197900000000, -0.0001868600000000, -0.0000841700000000 ] - [ -0.0000410600000000, 0.0002891300000000, 0.0001340900000000 ] - [ 0.0000221600000000, 0.0001288100000000, 0.0000682000000000 ] - [ -0.0001965600000000, -0.0000182200000000, -0.0000890500000000 ] - [ 0.0000294400000000, 0.0000443600000000, -0.0000713200000000 ] - [ 0.0000143900000000, 0.0000443300000000, 0.0000681300000000 ] - [ -0.0000633900000000, -0.0000193200000000, 0.0000493200000000 ] - [ -0.0008112800000000, 0.0004202200000000, -0.0005600000000000 ] - [ 0.0001693700000000, -0.0000026200000000, -0.0000728000000000 ] - [ 0.0001619500000000, 0.0007264900000000, 0.0003727800000000 ] - [ 0.0000015500000000, 0.0000017000000000, 0.0000028300000000 ] - [ -0.0014077300000000, -0.0007950800000000, -0.0010459300000000 ] - [ -0.0000908600000000, -0.0003117900000000, -0.0000418600000000 ] - [ 0.0000400800000000, 0.0002121900000000, 0.0000384200000000 ] - [ -0.0000335400000000, 0.0001930600000000, 0.0000476900000000 ] - [ -0.0000073500000000, -0.0002118000000000, 0.0001925300000000 ] - [ 0.0000925300000000, -0.0001532700000000, 0.0001325700000000 ] - [ 0.0000235800000000, 0.0002810300000000, -0.0001438600000000 ] - [ 0.0000198200000000, 0.0000848300000000, -0.0001118600000000 ] - [ 0.0008123400000000, -0.0000269400000000, 0.0002556800000000 ] - [ -0.0001606000000000, 0.0000261800000000, 0.0001134800000000 ] - [ -0.0001704700000000, 0.0001742200000000, 0.0000342900000000 ] - [ -0.0000015800000000, 0.0001866700000000, -0.0000436000000000 ] - [ 0.0000741300000000, -0.0002750100000000, 0.0000491900000000 ] - [ -0.0000801600000000, -0.0002109000000000, 0.0000818800000000 ] - [ 0.0000050000000000, 0.0000987700000000, 0.0000139400000000 ] - [ 0.0000382000000000, 0.0000993800000000, -0.0000622100000000 ] - [ -0.0003626200000000, -0.0016295800000000, 0.0004935200000000 ] - [ 0.0000033800000000, -0.0001806700000000, 0.0000543700000000 ] - [ -0.0000466000000000, 0.0001545000000000, -0.0000318700000000 ] - [ -0.0000150000000000, 0.0000916700000000, -0.0000229100000000 ] - [ 0.0000794000000000, -0.0002671600000000, -0.0000195800000000 ] - [ -0.0000381700000000, -0.0000096400000000, -0.0000102700000000 ] - [ -0.0000732400000000, 0.0002360800000000, 0.0000416400000000 ] - [ -0.0000057200000000, 0.0001269100000000, 0.0000222000000000 ] - [ -0.0000209400000000, -0.0000657800000000, 0.0000319200000000 ] - [ 0.0007480300000000, -0.0003990700000000, -0.0004992500000000 ] - [ -0.0000114200000000, 0.0001529300000000, 0.0000558900000000 ] - [ -0.0000130900000000, 0.0002348100000000, 0.0000988300000000 ] - [ 0.0000501700000000, -0.0005392000000000, 0.0012574300000000 ] - [ 0.0000607900000000, -0.0001180000000000, -0.0000049800000000 ] - [ 0.0000126800000000, 0.0003027300000000, -0.0000349400000000 ] - [ 0.0000078200000000, 0.0001520300000000, -0.0001103800000000 ] - [ 0.0011152200000000, 0.0025012400000000, 0.0001147300000000 ] - [ -0.0000974000000000, 0.0000117300000000, 0.0000210200000000 ] - [ -0.0035088700000000, 0.0046889700000000, 0.0049645200000000 ] - [ 0.0000295400000000, -0.0001217800000000, -0.0001231400000000 ] - [ 0.0004441600000000, 0.0003142200000000, -0.0008636900000000 ] - [ -0.0003615600000000, 0.0001784600000000, -0.0000951200000000 ] - [ -0.0001375300000000, -0.0003602100000000, 0.0000129400000000 ] - [ 0.0000697700000000, -0.0002592000000000, -0.0000414600000000 ] - [ -0.0005870100000000, -0.0000051200000000, -0.0007680600000000 ] - [ 0.0001481200000000, 0.0000705200000000, 0.0001045800000000 ] - [ -0.0000274800000000, -0.0003066600000000, -0.0000162200000000 ] - [ -0.0000930000000000, -0.0000802500000000, -0.0000471400000000 ] - [ 0.0001623000000000, -0.0000601000000000, 0.0000086900000000 ] - [ -0.0005369800000000, -0.0003618800000000, 0.0006334300000000 ] - [ -0.0002681000000000, -0.0001349100000000, 0.0000364400000000 ] - [ 0.0005861000000000, -0.0002754800000000, -0.0002227100000000 ] - [ -0.0000970600000000, -0.0008063000000000, -0.0001328100000000 ] - [ 0.0000431700000000, -0.0000953500000000, 0.0000609800000000 ] - [ -0.0004210000000000, 0.0017978500000000, -0.0003009800000000 ] - [ -0.0000929900000000, 0.0000381200000000, 0.0001483000000000 ] - [ 0.0003298000000000, 0.0002398600000000, -0.0001311800000000 ] - [ -0.0003196100000000, 0.0002326100000000, -0.0001858300000000 ] - [ -0.0000385800000000, -0.0001220900000000, -0.0000153900000000 ] - [ -0.0000487700000000, -0.0000954100000000, -0.0000009000000000 ] - [ 0.0004582500000000, -0.0003536100000000, -0.0006647300000000 ] - [ 0.0000155100000000, 0.0000033500000000, -0.0000618000000000 ] - [ 0.0000556300000000, -0.0002397800000000, 0.0001255000000000 ] - [ 0.0003355200000000, 0.0000152500000000, 0.0001855000000000 ] - [ -0.0000785300000000, -0.0001233400000000, 0.0003013700000000 ] - [ 0.0000344000000000, -0.0000506200000000, -0.0000852400000000 ] - [ 0.0001420400000000, 0.0000624600000000, -0.0005737500000000 ] - [ -0.0001954800000000, -0.0000443600000000, -0.0001355600000000 ] - [ -0.0005301800000000, 0.0004263700000000, 0.0003020700000000 ] - [ -0.0002228700000000, 0.0003262500000000, -0.0003548000000000 ] - [ 0.0000176200000000, -0.0003641100000000, -0.0000808800000000 ] - [ -0.0000545800000000, -0.0001358700000000, 0.0000263600000000 ] - [ 0.0001893000000000, 0.0009718400000000, -0.0001091500000000 ] - [ -0.0000384900000000, 0.0001372200000000, -0.0000290000000000 ] - [ -0.0001500200000000, -0.0006094300000000, 0.0002630300000000 ] - [ -0.0000124400000000, -0.0002535900000000, 0.0000075000000000 ] - [ -0.0000207300000000, 0.0002539900000000, -0.0002594500000000 ] - [ -0.0001487400000000, 0.0001406500000000, 0.0000705500000000 ] - [ -0.0000601500000000, -0.0003715300000000, -0.0000216400000000 ] - [ -0.0000236900000000, -0.0001990600000000, 0.0001385500000000 ] - [ 0.0044469700000000, 0.0054714100000000, 0.0051350200000000 ] - [ 0.0001136600000000, 0.0002323200000000, 0.0000469600000000 ] - [ 0.0000976500000000, -0.0005064700000000, 0.0000715600000000 ] - [ -0.0000550600000000, -0.0001181900000000, 0.0000215000000000 ] - [ 0.0000881300000000, 0.0002459600000000, -0.0000041000000000 ] - [ 0.0006663300000000, 0.0002876400000000, -0.0003609300000000 ] - [ 0.0001821900000000, -0.0001204700000000, -0.0000388400000000 ] - [ -0.0002078500000000, -0.0010261300000000, -0.0002293600000000 ]- atom: 1 displacement: [ 0.0000000000239961, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0056838000000000, 0.0192813900000000, 0.0069822700000000 ] - [ 0.0000206000000000, 0.0001312900000000, 0.0001270800000000 ] - [ 0.0000252600000000, -0.0003050400000000, -0.0000560800000000 ] - [ 0.0000096500000000, -0.0001118900000000, -0.0000870400000000 ] - [ 0.0003282200000000, 0.0005232200000000, -0.0001353700000000 ] - [ -0.0001260200000000, 0.0015409200000000, -0.0000763000000000 ] - [ 0.0000172000000000, -0.0001284900000000, 0.0000331100000000 ] - [ -0.0000293800000000, -0.0002756500000000, 0.0000130200000000 ] - [ -0.0000672100000000, -0.0001193300000000, -0.0000880300000000 ] - [ 0.0000500900000000, -0.0001185600000000, 0.0000094100000000 ] - [ -0.0000102300000000, 0.0002199000000000, 0.0004663100000000 ] - [ -0.0000283500000000, 0.0000718600000000, -0.0000440600000000 ] - [ 0.0001784800000000, -0.0001936900000000, 0.0002316200000000 ] - [ -0.0042476800000000, -0.0026484200000000, 0.0001789300000000 ] - [ -0.0000098500000000, -0.0001130700000000, 0.0000013500000000 ] - [ 0.0003768600000000, -0.0007719400000000, -0.0003058300000000 ] - [ 0.0001385000000000, -0.0034263900000000, -0.0042102700000000 ] - [ 0.0000289400000000, -0.0000406000000000, -0.0000481100000000 ] - [ -0.0003292700000000, -0.0005023100000000, 0.0004238300000000 ] - [ -0.0000175800000000, -0.0000455500000000, 0.0000327800000000 ] - [ 0.0007981300000000, -0.0012706200000000, -0.0003409900000000 ] - [ -0.0000566600000000, -0.0000471700000000, -0.0000259400000000 ] - [ -0.0008017900000000, -0.0014028100000000, 0.0001106400000000 ] - [ 0.0001556700000000, -0.0000497200000000, -0.0000335500000000 ] - [ 0.0001821300000000, -0.0003344300000000, -0.0000661700000000 ] - [ -0.0001964200000000, -0.0001349800000000, -0.0000641100000000 ] - [ -0.0001288300000000, -0.0001347700000000, 0.0001611200000000 ] - [ 0.0004516900000000, -0.0003354300000000, 0.0003683000000000 ] - [ -0.0007924200000000, 0.0002837200000000, 0.0002399900000000 ] - [ 0.0008045700000000, 0.0003103100000000, -0.0000718200000000 ] - [ 0.0000563500000000, -0.0001027600000000, -0.0000220700000000 ] - [ -0.0001562200000000, -0.0001209600000000, -0.0000925400000000 ] - [ -0.0023524400000000, 0.0000974200000000, 0.0034898300000000 ] - [ 0.0000689600000000, 0.0002282100000000, 0.0001327900000000 ] - [ 0.0000909000000000, -0.0002502100000000, -0.0000857600000000 ] - [ 0.0000265500000000, -0.0000881500000000, -0.0000199400000000 ] - [ 0.0001485300000000, -0.0000222200000000, 0.0000405100000000 ] - [ -0.0000791500000000, -0.0000849700000000, 0.0000238600000000 ] - [ -0.0000652400000000, -0.0000850400000000, -0.0001170400000000 ] - [ 0.0000141100000000, -0.0000233500000000, -0.0000994100000000 ] - [ 0.0008572800000000, -0.0004753000000000, 0.0006116700000000 ] - [ -0.0001305500000000, -0.0000462000000000, 0.0001222500000000 ] - [ -0.0001213200000000, -0.0007848500000000, -0.0003262300000000 ] - [ 0.0000396000000000, -0.0000517100000000, 0.0000461700000000 ] - [ 0.0014102300000000, 0.0008071000000000, 0.0010443700000000 ] - [ 0.0000931600000000, 0.0003150300000000, 0.0000424100000000 ] - [ -0.0000404000000000, -0.0002131600000000, -0.0000375100000000 ] - [ 0.0000337300000000, -0.0001933100000000, -0.0000477000000000 ] - [ 0.0000571900000000, 0.0002538400000000, -0.0002413600000000 ] - [ -0.0000419900000000, 0.0001948800000000, -0.0001820200000000 ] - [ 0.0000268200000000, -0.0002418500000000, 0.0000968300000000 ] - [ 0.0000294300000000, -0.0000440900000000, 0.0000637400000000 ] - [ -0.0008563200000000, 0.0000780600000000, -0.0002083100000000 ] - [ 0.0001226600000000, 0.0000178800000000, -0.0000689700000000 ] - [ 0.0001294300000000, -0.0001262600000000, 0.0000149200000000 ] - [ -0.0000396400000000, -0.0001386200000000, 0.0000918000000000 ] - [ -0.0000334200000000, 0.0002260700000000, -0.0000976300000000 ] - [ 0.0001199900000000, 0.0001628900000000, -0.0001299300000000 ] - [ 0.0000353300000000, -0.0001491100000000, -0.0000627200000000 ] - [ 0.0000025300000000, -0.0001495400000000, 0.0000142100000000 ] - [ 0.0003103000000000, 0.0015928100000000, -0.0004559000000000 ] - [ -0.0000524600000000, 0.0001393700000000, -0.0000035800000000 ] - [ -0.0000033300000000, -0.0001974000000000, 0.0000815100000000 ] - [ -0.0000346000000000, -0.0001330300000000, 0.0000715200000000 ] - [ -0.0001207400000000, 0.0003178700000000, -0.0000282600000000 ] - [ -0.0000025700000000, 0.0000594200000000, -0.0000390100000000 ] - [ 0.0000342800000000, -0.0001881300000000, -0.0000910400000000 ] - [ -0.0000360400000000, -0.0000775700000000, -0.0000701100000000 ] - [ 0.0000705900000000, 0.0001068100000000, 0.0000172900000000 ] - [ -0.0007063100000000, 0.0004440500000000, 0.0005508200000000 ] - [ 0.0000593500000000, -0.0001120100000000, -0.0000076900000000 ] - [ 0.0000617900000000, -0.0001936100000000, -0.0000500200000000 ] - [ -0.0000484200000000, 0.0005412500000000, -0.0012543200000000 ] - [ -0.0000606600000000, 0.0001197200000000, 0.0000052100000000 ] - [ -0.0000135900000000, -0.0003045300000000, 0.0000330300000000 ] - [ -0.0000080100000000, -0.0001526800000000, 0.0001107100000000 ] - [ -0.0011201500000000, -0.0025169900000000, -0.0001148400000000 ] - [ 0.0000983300000000, -0.0000108500000000, -0.0000218200000000 ] - [ 0.0034700100000000, -0.0046421200000000, -0.0048935400000000 ] - [ -0.0000301700000000, 0.0001232800000000, 0.0001233500000000 ] - [ -0.0004290100000000, -0.0003233300000000, 0.0007271500000000 ] - [ 0.0003627700000000, -0.0001810000000000, -0.0000274500000000 ] - [ 0.0001357800000000, 0.0003600400000000, -0.0001354700000000 ] - [ -0.0000699200000000, 0.0002591100000000, -0.0000832400000000 ] - [ 0.0004622100000000, -0.0000681700000000, 0.0008447100000000 ] - [ -0.0002775900000000, -0.0000621000000000, -0.0001032300000000 ] - [ -0.0001017100000000, 0.0003233300000000, 0.0000143100000000 ] - [ -0.0000356400000000, 0.0000917300000000, 0.0000465100000000 ] - [ -0.0001755500000000, -0.0000682600000000, -0.0000092500000000 ] - [ 0.0005321500000000, 0.0002374400000000, -0.0006383500000000 ] - [ 0.0002585800000000, 0.0000077900000000, -0.0000391200000000 ] - [ -0.0005969800000000, 0.0001467400000000, 0.0002216800000000 ] - [ 0.0000977800000000, 0.0008141100000000, 0.0002595000000000 ] - [ -0.0000436900000000, 0.0000949600000000, 0.0000639600000000 ] - [ 0.0003565500000000, -0.0016375700000000, 0.0003797800000000 ] - [ 0.0000927500000000, -0.0000388000000000, -0.0000239900000000 ] - [ -0.0003204400000000, -0.0001129000000000, 0.0001305500000000 ] - [ 0.0003328900000000, -0.0001088900000000, 0.0001842000000000 ] - [ 0.0000499100000000, 0.0002507200000000, 0.0000162200000000 ] - [ 0.0000596100000000, 0.0002253600000000, 0.0000030200000000 ] - [ -0.0003343200000000, 0.0003452400000000, 0.0006688000000000 ] - [ 0.0001133800000000, -0.0000151600000000, 0.0000624800000000 ] - [ 0.0000715300000000, 0.0002320100000000, -0.0001260900000000 ] - [ -0.0002060700000000, -0.0000238400000000, -0.0001848100000000 ] - [ 0.0000777300000000, 0.0001252200000000, -0.0004294400000000 ] - [ -0.0000356200000000, 0.0000516300000000, -0.0000391000000000 ] - [ -0.0001424300000000, -0.0000644600000000, 0.0004460300000000 ] - [ 0.0001944900000000, 0.0000451100000000, 0.0000099900000000 ] - [ 0.0004036600000000, -0.0004186300000000, -0.0003038300000000 ] - [ 0.0000897700000000, -0.0003105500000000, 0.0003481100000000 ] - [ -0.0001467800000000, 0.0003760400000000, 0.0000795300000000 ] - [ -0.0000746500000000, 0.0001475800000000, -0.0000272700000000 ] - [ -0.0001988000000000, -0.0011044500000000, 0.0001112400000000 ] - [ 0.0000263700000000, -0.0002671800000000, 0.0000304400000000 ] - [ 0.0001401800000000, 0.0004844900000000, -0.0002645300000000 ] - [ 0.0000019700000000, 0.0001263100000000, -0.0000070800000000 ] - [ 0.0000205700000000, -0.0002550900000000, 0.0003824500000000 ] - [ 0.0001506300000000, -0.0001426500000000, 0.0000530200000000 ] - [ 0.0000622900000000, 0.0003759500000000, 0.0001481200000000 ] - [ 0.0000239300000000, 0.0002010800000000, -0.0000152600000000 ] - [ -0.0043135600000000, -0.0052326500000000, -0.0049571300000000 ] - [ -0.0001023000000000, -0.0001038400000000, -0.0000471900000000 ] - [ -0.0000863400000000, 0.0006379600000000, -0.0000697700000000 ] - [ 0.0000668200000000, 0.0002470200000000, -0.0000211200000000 ] - [ 0.0000399100000000, -0.0002581900000000, 0.0000031400000000 ] - [ -0.0005344000000000, -0.0002923400000000, 0.0003592000000000 ] - [ -0.0000541300000000, 0.0001094900000000, 0.0000383000000000 ] - [ 0.0003339100000000, 0.0010164500000000, 0.0002346300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0026891000000000, -0.0072079400000000, -0.0264462000000000 ] - [ -0.0000696500000000, -0.0001714100000000, -0.0002162400000000 ] - [ -0.0001760800000000, 0.0000108700000000, -0.0001646200000000 ] - [ -0.0000203900000000, 0.0000421000000000, -0.0000176600000000 ] - [ -0.0003792900000000, -0.0003148900000000, 0.0001401300000000 ] - [ 0.0041753100000000, -0.0002225900000000, 0.0035545000000000 ] - [ 0.0000119600000000, 0.0000332200000000, 0.0000157500000000 ] - [ 0.0000927500000000, -0.0000249100000000, 0.0001326700000000 ] - [ 0.0000511600000000, 0.0001473000000000, 0.0000446300000000 ] - [ -0.0000431000000000, 0.0000849900000000, 0.0000267900000000 ] - [ 0.0000750100000000, -0.0002135900000000, 0.0002245700000000 ] - [ -0.0001066400000000, -0.0000737100000000, -0.0000106800000000 ] - [ -0.0001946200000000, 0.0002763300000000, -0.0004179900000000 ] - [ 0.0002353700000000, 0.0002314200000000, -0.0016257700000000 ] - [ 0.0000355600000000, 0.0000459200000000, -0.0001896400000000 ] - [ 0.0003436700000000, -0.0002593700000000, -0.0003387500000000 ] - [ -0.0001303000000000, 0.0042041000000000, 0.0035559200000000 ] - [ -0.0000318900000000, 0.0001185900000000, 0.0001324900000000 ] - [ -0.0001812800000000, -0.0000929700000000, 0.0001411300000000 ] - [ -0.0000116200000000, 0.0000469400000000, 0.0000157500000000 ] - [ 0.0002843500000000, 0.0001414700000000, -0.0006426300000000 ] - [ 0.0000227300000000, 0.0000108300000000, -0.0000847200000000 ] - [ -0.0000294500000000, 0.0004955800000000, -0.0008632500000000 ] - [ -0.0000477600000000, -0.0000201700000000, -0.0000394000000000 ] - [ -0.0001299200000000, 0.0003250500000000, 0.0000713300000000 ] - [ 0.0000114100000000, 0.0001161400000000, -0.0000433500000000 ] - [ -0.0000806700000000, -0.0001077500000000, -0.0000432000000000 ] - [ 0.0001637600000000, -0.0001114500000000, 0.0000718000000000 ] - [ 0.0002944100000000, -0.0002170200000000, -0.0006428800000000 ] - [ -0.0001533800000000, 0.0003190400000000, -0.0008635900000000 ] - [ -0.0000187200000000, 0.0000437700000000, -0.0000846800000000 ] - [ -0.0000106100000000, 0.0000440400000000, -0.0000390700000000 ] - [ -0.0034139200000000, -0.0034239600000000, 0.0041827300000000 ] - [ 0.0000755400000000, -0.0000877400000000, -0.0000444300000000 ] - [ 0.0000222300000000, 0.0001300800000000, 0.0000300800000000 ] - [ -0.0000089500000000, 0.0000641900000000, 0.0000350600000000 ] - [ -0.0001295200000000, 0.0000533900000000, 0.0000248900000000 ] - [ 0.0000098000000000, 0.0000714000000000, 0.0000322000000000 ] - [ -0.0000292600000000, -0.0000680000000000, 0.0000314100000000 ] - [ -0.0000309600000000, -0.0000851100000000, 0.0000243400000000 ] - [ 0.0002495700000000, -0.0001236400000000, 0.0004213300000000 ] - [ 0.0000301300000000, -0.0000037100000000, 0.0000631900000000 ] - [ 0.0001116500000000, 0.0006627800000000, 0.0005532300000000 ] - [ -0.0000469100000000, 0.0000740400000000, 0.0000079800000000 ] - [ 0.0022651500000000, -0.0012641300000000, 0.0004354400000000 ] - [ -0.0004510200000000, -0.0003298100000000, -0.0000097200000000 ] - [ 0.0000490000000000, 0.0000318200000000, 0.0000111800000000 ] - [ 0.0000254500000000, 0.0000107700000000, -0.0000231100000000 ] - [ 0.0000042400000000, -0.0001939100000000, 0.0004267400000000 ] - [ 0.0001110400000000, -0.0001362800000000, 0.0001868500000000 ] - [ 0.0000128500000000, 0.0001402400000000, 0.0002298400000000 ] - [ 0.0000383400000000, 0.0001081600000000, 0.0000128300000000 ] - [ 0.0005624700000000, -0.0000693800000000, 0.0004228500000000 ] - [ -0.0003700900000000, 0.0002943700000000, 0.0005542100000000 ] - [ 0.0000767700000000, 0.0000052600000000, 0.0000637900000000 ] - [ 0.0000013700000000, 0.0001315000000000, 0.0000076300000000 ] - [ -0.0000456300000000, 0.0000312200000000, 0.0001675300000000 ] - [ 0.0000148000000000, -0.0000769000000000, 0.0004200200000000 ] - [ -0.0000260100000000, 0.0000424300000000, -0.0000393700000000 ] - [ 0.0000061200000000, -0.0000079400000000, 0.0000107100000000 ] - [ -0.0000923400000000, -0.0004943400000000, 0.0039447600000000 ] - [ -0.0000269400000000, -0.0000493000000000, 0.0001523800000000 ] - [ -0.0000063400000000, 0.0000361300000000, -0.0000215900000000 ] - [ -0.0000563600000000, 0.0000266400000000, 0.0000531800000000 ] - [ 0.0000853000000000, 0.0001511000000000, 0.0004194500000000 ] - [ -0.0000586000000000, 0.0000295800000000, 0.0000103500000000 ] - [ 0.0000535900000000, 0.0000320500000000, 0.0001675400000000 ] - [ 0.0000177200000000, 0.0000027300000000, -0.0000391500000000 ] - [ 0.0000179500000000, 0.0000274900000000, 0.0001490000000000 ] - [ -0.0004266000000000, -0.0005065300000000, 0.0005791100000000 ] - [ 0.0000534200000000, 0.0000524200000000, 0.0001378100000000 ] - [ 0.0000224400000000, 0.0000954900000000, 0.0000627700000000 ] - [ -0.0003451300000000, 0.0002058400000000, 0.0011989900000000 ] - [ 0.0002810500000000, 0.0000533100000000, 0.0000539500000000 ] - [ -0.0000554300000000, -0.0001904000000000, -0.0000910700000000 ] - [ 0.0000017100000000, 0.0000380600000000, -0.0000026400000000 ] - [ -0.0006264300000000, -0.0012323500000000, 0.0000663500000000 ] - [ 0.0001490800000000, -0.0001152700000000, 0.0000026300000000 ] - [ -0.0025869500000000, 0.0050276500000000, 0.0002847600000000 ] - [ 0.0000306200000000, -0.0000362300000000, -0.0000068400000000 ] - [ 0.0003184300000000, 0.0000194700000000, -0.0003434000000000 ] - [ -0.0004123700000000, -0.0001328100000000, 0.0001049700000000 ] - [ -0.0000299000000000, -0.0001128400000000, 0.0000983300000000 ] - [ 0.0000067900000000, -0.0000704500000000, -0.0000540000000000 ] - [ 0.0002402800000000, -0.0014331100000000, 0.0017729100000000 ] - [ 0.0003527100000000, 0.0001721300000000, 0.0000126900000000 ] - [ -0.0000795900000000, -0.0003416000000000, 0.0001634500000000 ] - [ -0.0001729100000000, -0.0000291700000000, -0.0000267100000000 ] - [ -0.0002703700000000, 0.0001743600000000, 0.0000200300000000 ] - [ 0.0000726600000000, -0.0002146000000000, 0.0003623000000000 ] - [ -0.0003976000000000, -0.0002704400000000, 0.0001632700000000 ] - [ 0.0004395900000000, -0.0005887100000000, 0.0002385000000000 ] - [ -0.0000024200000000, -0.0002169000000000, 0.0004069300000000 ] - [ 0.0000178700000000, -0.0001030200000000, 0.0001218600000000 ] - [ 0.0000940700000000, -0.0001541100000000, 0.0014824400000000 ] - [ -0.0000072600000000, 0.0000690800000000, 0.0001851300000000 ] - [ 0.0002354600000000, -0.0000515500000000, -0.0002544100000000 ] - [ -0.0003518700000000, -0.0002981500000000, -0.0005288400000000 ] - [ -0.0000421900000000, 0.0000174800000000, -0.0000029900000000 ] - [ -0.0000623600000000, -0.0000085300000000, -0.0000887000000000 ] - [ 0.0003586800000000, -0.0003463000000000, -0.0008247900000000 ] - [ 0.0000665000000000, -0.0001266300000000, -0.0000105700000000 ] - [ 0.0000746000000000, 0.0004469400000000, -0.0002627100000000 ] - [ 0.0000563400000000, -0.0000672900000000, -0.0001267800000000 ] - [ -0.0000754900000000, 0.0001605000000000, -0.0001739000000000 ] - [ 0.0000719300000000, -0.0001105400000000, -0.0000908400000000 ] - [ 0.0001393600000000, -0.0001085800000000, -0.0000694100000000 ] - [ -0.0000712500000000, 0.0001187900000000, -0.0000991800000000 ] - [ 0.0005532700000000, -0.0000312700000000, -0.0006271500000000 ] - [ -0.0005180500000000, 0.0004149500000000, -0.0009496800000000 ] - [ -0.0001167500000000, -0.0000322100000000, -0.0000619000000000 ] - [ -0.0001053700000000, -0.0000480200000000, -0.0000187800000000 ] - [ 0.0002673900000000, -0.0001111500000000, -0.0011524900000000 ] - [ -0.0000122800000000, 0.0001331000000000, -0.0001222600000000 ] - [ -0.0000025600000000, -0.0001315500000000, -0.0001463800000000 ] - [ -0.0000555800000000, -0.0001879600000000, -0.0000306800000000 ] - [ -0.0000640200000000, 0.0001093400000000, -0.0007103600000000 ] - [ 0.0000939200000000, -0.0000326500000000, -0.0002633600000000 ] - [ -0.0000238500000000, -0.0001621900000000, -0.0000188700000000 ] - [ 0.0000248000000000, -0.0000501200000000, 0.0000141500000000 ] - [ 0.0059388100000000, 0.0063910800000000, 0.0072299800000000 ] - [ 0.0001112600000000, 0.0001319600000000, 0.0000775400000000 ] - [ -0.0001455600000000, 0.0002056100000000, 0.0000708000000000 ] - [ -0.0000404800000000, -0.0000679100000000, 0.0000169900000000 ] - [ -0.0001627500000000, -0.0001079000000000, 0.0001440500000000 ] - [ -0.0034598700000000, 0.0001381300000000, 0.0036468000000000 ] - [ 0.0000648600000000, 0.0000061500000000, 0.0000075200000000 ] - [ 0.0002440800000000, 0.0002041100000000, 0.0000042000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0026055500000000, 0.0069650600000000, 0.0262162000000000 ] - [ 0.0000196600000000, 0.0001312800000000, 0.0001674900000000 ] - [ 0.0001271300000000, -0.0000520700000000, 0.0001159700000000 ] - [ -0.0000291500000000, -0.0000832700000000, -0.0000316400000000 ] - [ 0.0004193100000000, 0.0002641500000000, -0.0000928000000000 ] - [ -0.0042128700000000, 0.0001760200000000, -0.0035520700000000 ] - [ 0.0000287800000000, -0.0000831200000000, 0.0000319600000000 ] - [ -0.0000518400000000, -0.0000255100000000, -0.0000850100000000 ] - [ -0.0000517100000000, -0.0001488400000000, -0.0000453300000000 ] - [ 0.0000428600000000, -0.0000853900000000, -0.0000274000000000 ] - [ -0.0000768000000000, 0.0002180400000000, -0.0002235900000000 ] - [ 0.0001069300000000, 0.0000739700000000, 0.0000099000000000 ] - [ 0.0002450000000000, -0.0002356300000000, 0.0003692600000000 ] - [ -0.0001669000000000, -0.0001725600000000, 0.0015756600000000 ] - [ 0.0000139000000000, -0.0000047800000000, 0.0001403600000000 ] - [ -0.0002936100000000, 0.0003010000000000, 0.0002881200000000 ] - [ 0.0000906600000000, -0.0042347300000000, -0.0035506400000000 ] - [ -0.0000099500000000, -0.0000696100000000, -0.0000852000000000 ] - [ 0.0001372400000000, 0.0001407300000000, -0.0000918200000000 ] - [ -0.0000298700000000, 0.0000024800000000, 0.0000319600000000 ] - [ -0.0002441300000000, -0.0001882500000000, 0.0005937900000000 ] - [ 0.0000182200000000, -0.0000600600000000, 0.0000359300000000 ] - [ 0.0000682800000000, -0.0005450400000000, 0.0008138400000000 ] - [ 0.0000886000000000, -0.0000283800000000, -0.0000093500000000 ] - [ 0.0000804300000000, -0.0003642400000000, -0.0000231300000000 ] - [ -0.0000615700000000, -0.0001583600000000, 0.0000915200000000 ] - [ 0.0000316800000000, 0.0000676200000000, 0.0000916600000000 ] - [ -0.0002107900000000, 0.0000699600000000, -0.0000226500000000 ] - [ -0.0003369500000000, 0.0002657600000000, 0.0005935500000000 ] - [ 0.0001137300000000, -0.0002676400000000, 0.0008134500000000 ] - [ -0.0000220500000000, 0.0000053900000000, 0.0000359500000000 ] - [ -0.0000295300000000, 0.0000049500000000, -0.0000090600000000 ] - [ 0.0035332900000000, 0.0035360500000000, -0.0041911200000000 ] - [ -0.0000277300000000, 0.0001291200000000, 0.0000927100000000 ] - [ 0.0000268300000000, -0.0000898300000000, 0.0000178400000000 ] - [ 0.0000578400000000, -0.0000240400000000, 0.0000124900000000 ] - [ 0.0000801700000000, -0.0000953100000000, -0.0000747200000000 ] - [ -0.0000593900000000, -0.0001137700000000, -0.0000814100000000 ] - [ -0.0000211100000000, 0.0000271800000000, -0.0000821700000000 ] - [ -0.0000180000000000, 0.0000444400000000, -0.0000752600000000 ] - [ -0.0002146500000000, 0.0000733300000000, -0.0003757200000000 ] - [ 0.0000104400000000, -0.0000463800000000, -0.0000153300000000 ] - [ -0.0000711400000000, -0.0007232200000000, -0.0005081600000000 ] - [ 0.0000882000000000, -0.0001234000000000, 0.0000401100000000 ] - [ -0.0022491200000000, 0.0012570300000000, -0.0004386800000000 ] - [ 0.0004519400000000, 0.0003296700000000, 0.0000095100000000 ] - [ -0.0000500500000000, -0.0000325500000000, -0.0000116200000000 ] - [ -0.0000242100000000, -0.0000109400000000, 0.0000226000000000 ] - [ 0.0000478600000000, 0.0002400300000000, -0.0004804600000000 ] - [ -0.0000627000000000, 0.0001783700000000, -0.0002375800000000 ] - [ 0.0000362600000000, -0.0001004400000000, -0.0002791800000000 ] - [ 0.0000115200000000, -0.0000673400000000, -0.0000620300000000 ] - [ -0.0006093900000000, 0.0001201800000000, -0.0003742800000000 ] - [ 0.0003288000000000, -0.0002483300000000, -0.0005071900000000 ] - [ -0.0001184500000000, 0.0000435200000000, -0.0000147200000000 ] - [ -0.0000421000000000, -0.0000816400000000, 0.0000397700000000 ] - [ 0.0000868200000000, -0.0000800000000000, -0.0002177500000000 ] - [ 0.0000232300000000, 0.0000282100000000, -0.0004706200000000 ] - [ 0.0000660400000000, -0.0000925600000000, -0.0000096400000000 ] - [ 0.0000346700000000, -0.0000412300000000, -0.0000593900000000 ] - [ 0.0000450800000000, 0.0004553100000000, -0.0038279100000000 ] - [ -0.0000229800000000, 0.0000087500000000, -0.0001025000000000 ] - [ -0.0000433500000000, -0.0000771200000000, 0.0000704100000000 ] - [ 0.0000067700000000, -0.0000677200000000, -0.0000053100000000 ] - [ -0.0001268200000000, -0.0001059500000000, -0.0004711700000000 ] - [ 0.0000175600000000, 0.0000195600000000, -0.0000597400000000 ] - [ -0.0000935100000000, 0.0000161900000000, -0.0002177700000000 ] - [ -0.0000592400000000, 0.0000466200000000, -0.0000094000000000 ] - [ 0.0000316100000000, 0.0000128400000000, -0.0001007100000000 ] - [ 0.0004746000000000, 0.0005434800000000, -0.0005306400000000 ] - [ -0.0000047400000000, -0.0000112200000000, -0.0000904300000000 ] - [ 0.0000262600000000, -0.0000534600000000, -0.0000155200000000 ] - [ 0.0003569000000000, -0.0002112200000000, -0.0011922400000000 ] - [ -0.0002841100000000, -0.0000535200000000, -0.0000552100000000 ] - [ 0.0000555200000000, 0.0001920100000000, 0.0000885800000000 ] - [ -0.0000013900000000, -0.0000382400000000, 0.0000022000000000 ] - [ 0.0006305300000000, 0.0012382800000000, -0.0000600600000000 ] - [ -0.0001487900000000, 0.0001147000000000, -0.0000030700000000 ] - [ 0.0025751800000000, -0.0049933200000000, -0.0002917900000000 ] - [ -0.0000313400000000, 0.0000375300000000, 0.0000074400000000 ] - [ -0.0002985900000000, -0.0000282300000000, 0.0001973300000000 ] - [ 0.0004157000000000, 0.0001350000000000, -0.0002309600000000 ] - [ 0.0000287500000000, 0.0001122200000000, -0.0002214700000000 ] - [ -0.0000072200000000, 0.0000708800000000, -0.0000708400000000 ] - [ -0.0003698700000000, 0.0013669700000000, -0.0017280100000000 ] - [ -0.0004813400000000, -0.0001608100000000, -0.0000124500000000 ] - [ -0.0000500300000000, 0.0003508200000000, -0.0001663700000000 ] - [ 0.0000425400000000, 0.0000395200000000, 0.0000257600000000 ] - [ 0.0002577200000000, -0.0003010500000000, -0.0000208100000000 ] - [ -0.0000843000000000, 0.0000846500000000, -0.0003591100000000 ] - [ 0.0003863700000000, 0.0001400200000000, -0.0001655400000000 ] - [ -0.0004491500000000, 0.0004568000000000, -0.0002390600000000 ] - [ 0.0000041200000000, 0.0002193400000000, -0.0002860400000000 ] - [ -0.0000184200000000, 0.0001031400000000, 0.0000016700000000 ] - [ -0.0001063200000000, 0.0001794300000000, -0.0013655600000000 ] - [ 0.0000071900000000, -0.0000689100000000, -0.0000615100000000 ] - [ -0.0002252500000000, 0.0001805500000000, 0.0002540700000000 ] - [ 0.0003657900000000, 0.0004298400000000, 0.0005316200000000 ] - [ 0.0000536300000000, 0.0001111500000000, 0.0000031100000000 ] - [ 0.0000733200000000, 0.0001371400000000, 0.0000907100000000 ] - [ -0.0002352700000000, 0.0003382200000000, 0.0008292400000000 ] - [ 0.0000620500000000, 0.0001168000000000, 0.0000097200000000 ] - [ 0.0000531700000000, -0.0004624700000000, 0.0002641800000000 ] - [ 0.0000713700000000, 0.0000560000000000, 0.0001256000000000 ] - [ 0.0000740000000000, -0.0001595500000000, 0.0000511200000000 ] - [ -0.0000730200000000, 0.0001121800000000, -0.0000341300000000 ] - [ -0.0001400500000000, 0.0001060000000000, -0.0000533600000000 ] - [ 0.0000726600000000, -0.0001176000000000, -0.0000251200000000 ] - [ -0.0006866800000000, 0.0000435400000000, 0.0006309100000000 ] - [ 0.0003933400000000, -0.0004078400000000, 0.0009553200000000 ] - [ -0.0000112800000000, 0.0000435000000000, 0.0000611600000000 ] - [ -0.0000238000000000, 0.0000595000000000, 0.0000181100000000 ] - [ -0.0002860100000000, -0.0000180500000000, 0.0011612000000000 ] - [ 0.0000019100000000, -0.0002627000000000, 0.0001239400000000 ] - [ -0.0000086900000000, 0.0000044000000000, 0.0001450000000000 ] - [ 0.0000446200000000, 0.0000602600000000, 0.0000309900000000 ] - [ 0.0000623300000000, -0.0001091900000000, 0.0008322700000000 ] - [ -0.0000928100000000, 0.0000331400000000, 0.0003877500000000 ] - [ 0.0000270800000000, 0.0001665100000000, 0.0001472700000000 ] - [ -0.0000243000000000, 0.0000499500000000, 0.0001096600000000 ] - [ -0.0057518500000000, -0.0060428500000000, -0.0070337800000000 ] - [ -0.0001004100000000, -0.0000033100000000, -0.0000768400000000 ] - [ 0.0001560800000000, -0.0000768700000000, -0.0000704400000000 ] - [ 0.0000516300000000, 0.0001972700000000, -0.0000183000000000 ] - [ 0.0002899300000000, 0.0000956900000000, -0.0001464600000000 ] - [ 0.0034553700000000, -0.0001318500000000, -0.0035618500000000 ] - [ 0.0000640600000000, -0.0000173000000000, -0.0000084700000000 ] - [ -0.0001198800000000, -0.0002203700000000, -0.0000012500000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000239961, 0.0000000000000000 ] forces: - [ -0.0001660500000000, 0.0000464300000000, 0.0000272600000000 ] - [ 0.0001187300000000, -0.0000707100000000, -0.0000673100000000 ] - [ -0.0003006700000000, -0.0000093200000000, 0.0000522200000000 ] - [ 0.0001683600000000, 0.0000079500000000, -0.0001311400000000 ] - [ 0.0002138500000000, 0.0000099800000000, 0.0000345300000000 ] - [ -0.0002931600000000, -0.0003803400000000, -0.0003062100000000 ] - [ 0.0002337000000000, -0.0000227300000000, 0.0000567200000000 ] - [ -0.0007729100000000, 0.0016088700000000, -0.0012334100000000 ] - [ -0.0166019300000000, 0.0000000200000000, 0.0000000000000000 ] - [ 0.0002415600000000, -0.0000264900000000, 0.0000000000000000 ] - [ -0.0002365500000000, 0.0000264700000000, 0.0000000000000000 ] - [ 0.0004502500000000, 0.0000000100000000, 0.0000000000000000 ] - [ 0.0002178800000000, 0.0000484400000000, 0.0000826900000000 ] - [ -0.0002498000000000, 0.0000298200000000, -0.0000992900000000 ] - [ 0.0001681500000000, -0.0000296900000000, 0.0000188600000000 ] - [ -0.0001159100000000, 0.0000873400000000, -0.0000753000000000 ] - [ -0.0008286200000000, 0.0016597700000000, 0.0012874100000000 ] - [ 0.0001923100000000, 0.0000274100000000, -0.0000074600000000 ] - [ -0.0003330000000000, -0.0003293000000000, 0.0003532500000000 ] - [ 0.0001732000000000, 0.0000592700000000, 0.0000128000000000 ] - [ -0.0002009000000000, -0.0001104700000000, 0.0001928800000000 ] - [ 0.0001401400000000, -0.0000238500000000, -0.0001717500000000 ] - [ -0.0000515300000000, -0.0000449800000000, 0.0000496500000000 ] - [ 0.0001391500000000, 0.0000047500000000, -0.0001094800000000 ] - [ 0.0008239000000000, -0.0001115800000000, 0.0004756500000000 ] - [ 0.0024253600000000, -0.0014162900000000, -0.0022146900000000 ] - [ 0.0000074200000000, -0.0000545300000000, -0.0000011000000000 ] - [ -0.0000873300000000, 0.0000198900000000, -0.0000256700000000 ] - [ 0.0000982100000000, 0.0000544300000000, 0.0000609400000000 ] - [ -0.0000918000000000, 0.0000041700000000, -0.0000980000000000 ] - [ 0.0000989000000000, 0.0000255000000000, 0.0001244200000000 ] - [ -0.0002389200000000, -0.0000597600000000, -0.0002387400000000 ] - [ -0.0000385600000000, 0.0000608000000000, 0.0000734000000000 ] - [ 0.0000564400000000, -0.0000127500000000, 0.0000483200000000 ] - [ 0.0025054600000000, -0.0014022700000000, 0.0022993700000000 ] - [ 0.0008690300000000, -0.0000725300000000, -0.0004275200000000 ] - [ 0.0008239000000000, -0.0001115800000000, -0.0004756500000000 ] - [ 0.0024253600000000, -0.0014162900000000, 0.0022146900000000 ] - [ 0.0000074200000000, -0.0000545300000000, 0.0000011000000000 ] - [ -0.0000873300000000, 0.0000198900000000, 0.0000256700000000 ] - [ -0.0002009000000000, -0.0001104700000000, -0.0001928800000000 ] - [ 0.0001401400000000, -0.0000238500000000, 0.0001717500000000 ] - [ -0.0000515300000000, -0.0000449800000000, -0.0000496500000000 ] - [ 0.0001391500000000, 0.0000047500000000, 0.0001094800000000 ] - [ 0.0000241800000000, 0.0000146200000000, 0.0000000000000000 ] - [ -0.0000238100000000, -0.0000154100000000, 0.0000000000000000 ] - [ -0.0000246000000000, -0.0000146900000000, 0.0000000000000000 ] - [ 0.0000249800000000, 0.0000154200000000, 0.0000000000000000 ] - [ -0.0000385600000000, 0.0000608000000000, -0.0000734000000000 ] - [ 0.0000564400000000, -0.0000127500000000, -0.0000483200000000 ] - [ 0.0025054600000000, -0.0014022700000000, -0.0022993700000000 ] - [ 0.0008690300000000, -0.0000725300000000, 0.0004275200000000 ] - [ 0.0000982100000000, 0.0000544300000000, -0.0000609400000000 ] - [ -0.0000918000000000, 0.0000041700000000, 0.0000980000000000 ] - [ 0.0000989000000000, 0.0000255000000000, -0.0001244200000000 ] - [ -0.0002389200000000, -0.0000597600000000, 0.0002387400000000 ] - [ 0.0002138500000000, 0.0000099800000000, -0.0000345300000000 ] - [ -0.0002931600000000, -0.0003803400000000, 0.0003062100000000 ] - [ 0.0002337000000000, -0.0000227300000000, -0.0000567200000000 ] - [ -0.0007729100000000, 0.0016088700000000, 0.0012334100000000 ] - [ -0.0001660500000000, 0.0000464300000000, -0.0000272600000000 ] - [ 0.0001187300000000, -0.0000707100000000, 0.0000673100000000 ] - [ -0.0003006700000000, -0.0000093200000000, -0.0000522200000000 ] - [ 0.0001683600000000, 0.0000079500000000, 0.0001311400000000 ] - [ -0.0008286200000000, 0.0016597700000000, -0.0012874100000000 ] - [ 0.0001923100000000, 0.0000274100000000, 0.0000074600000000 ] - [ -0.0003330000000000, -0.0003293000000000, -0.0003532500000000 ] - [ 0.0001732000000000, 0.0000592700000000, -0.0000128000000000 ] - [ 0.0002178800000000, 0.0000484400000000, -0.0000826900000000 ] - [ -0.0002498000000000, 0.0000298200000000, 0.0000992900000000 ] - [ 0.0001681500000000, -0.0000296900000000, -0.0000188600000000 ] - [ -0.0001159100000000, 0.0000873400000000, 0.0000753000000000 ] - [ 0.0010250100000000, 0.0025931900000000, 0.0000000000000000 ] - [ 0.0009215500000000, -0.0004825900000000, 0.0000000000000000 ] - [ 0.0009101700000000, -0.0004833500000000, 0.0000000000000000 ] - [ 0.0010144400000000, 0.0025867500000000, 0.0000000000000000 ] - [ 0.0002136600000000, 0.0000065100000000, 0.0000000000000000 ] - [ 0.0002866000000000, 0.0000895800000000, 0.0000000000000000 ] - [ -0.0002148300000000, 0.0000358700000000, 0.0000000000000000 ] - [ 0.0001608000000000, -0.0000684400000000, 0.0000000000000000 ] - [ -0.0001666900000000, -0.0002210000000000, -0.0004236100000000 ] - [ -0.0001665700000000, 0.0003077300000000, 0.0002361900000000 ] - [ -0.0001677700000000, 0.0003120700000000, -0.0003604300000000 ] - [ -0.0001674800000000, -0.0002185500000000, 0.0002978500000000 ] - [ 0.0003766600000000, -0.0000934300000000, 0.0000000000000000 ] - [ -0.0003708300000000, 0.0000661100000000, 0.0000000000000000 ] - [ 0.0001788800000000, -0.0000004500000000, 0.0000000000000000 ] - [ -0.0002965700000000, 0.0000864300000000, 0.0000000000000000 ] - [ -0.0002456500000000, -0.0001202400000000, 0.0000000000000000 ] - [ 0.0002202100000000, 0.0000461300000000, 0.0000000000000000 ] - [ -0.0001352100000000, -0.0000454000000000, 0.0000000000000000 ] - [ 0.0000573800000000, -0.0001129800000000, 0.0000000000000000 ] - [ 0.0005067900000000, 0.0000596800000000, 0.0000646200000000 ] - [ -0.0005937400000000, 0.0000905700000000, 0.0000632200000000 ] - [ 0.0002080500000000, 0.0001848600000000, 0.0000627800000000 ] - [ -0.0002227100000000, -0.0000321700000000, 0.0000626400000000 ] - [ -0.0004970200000000, -0.0000794100000000, 0.0000000000000000 ] - [ 0.0001174000000000, -0.0015649100000000, 0.0000000000000000 ] - [ -0.0005096900000000, 0.0002327100000000, 0.0000000000000000 ] - [ 0.0004421800000000, -0.0003705100000000, 0.0000000000000000 ] - [ 0.0029666400000000, 0.0002258700000000, 0.0000000000000000 ] - [ -0.0003042400000000, 0.0000825100000000, 0.0000000000000000 ] - [ 0.0002059600000000, 0.0001218100000000, 0.0000000000000000 ] - [ -0.0003207500000000, -0.0006220500000000, 0.0000000000000000 ] - [ 0.0005067900000000, 0.0000596800000000, -0.0000646200000000 ] - [ -0.0005937400000000, 0.0000905700000000, -0.0000632200000000 ] - [ 0.0002080500000000, 0.0001848600000000, -0.0000627800000000 ] - [ -0.0002227100000000, -0.0000321700000000, -0.0000626400000000 ] - [ -0.0004429900000000, -0.0006090900000000, 0.0000000000000000 ] - [ 0.0000774300000000, 0.0001344100000000, 0.0000000000000000 ] - [ -0.0004358000000000, 0.0000986900000000, 0.0000000000000000 ] - [ 0.0026523800000000, 0.0001345100000000, 0.0000000000000000 ] - [ 0.0004292800000000, -0.0005016700000000, 0.0000000000000000 ] - [ -0.0005242900000000, 0.0001078100000000, 0.0000000000000000 ] - [ 0.0001251800000000, -0.0017485700000000, 0.0000000000000000 ] - [ -0.0005064100000000, -0.0002088700000000, 0.0000000000000000 ] - [ -0.0001666900000000, -0.0002210000000000, 0.0004236100000000 ] - [ -0.0001665700000000, 0.0003077300000000, -0.0002361900000000 ] - [ -0.0001677700000000, 0.0003120700000000, 0.0003604300000000 ] - [ -0.0001674800000000, -0.0002185500000000, -0.0002978500000000 ] - [ 0.0000683000000000, 0.0000155400000000, 0.0000000000000000 ] - [ -0.0001238800000000, 0.0000831300000000, 0.0000000000000000 ] - [ 0.0002358100000000, 0.0001724700000000, 0.0000000000000000 ] - [ -0.0002332700000000, 0.0000085400000000, 0.0000000000000000 ] - [ -0.0001669600000000, 0.0000745600000000, 0.0000000000000000 ] - [ 0.0003074800000000, -0.0000115900000000, 0.0000000000000000 ] - [ -0.0002440900000000, 0.0000550000000000, 0.0000000000000000 ] - [ 0.0005031100000000, -0.0001083100000000, 0.0000000000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000045700000000, 0.0000680800000000, 0.0000209800000000 ] - [ -0.0000476300000000, -0.0000297900000000, 0.0000031800000000 ] - [ 0.0002191900000000, -0.0004916100000000, 0.0002007500000000 ] - [ -0.0000662100000000, 0.0000233100000000, -0.0000345000000000 ] - [ 0.0000683000000000, -0.0000339400000000, 0.0000017600000000 ] - [ -0.0000228000000000, 0.0000003900000000, 0.0000135100000000 ] - [ 0.0000590000000000, 0.0000001800000000, 0.0000357700000000 ] - [ -0.0010307500000000, -0.0022091100000000, 0.0004577700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0067671100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000223800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000223800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000792200000000 ] - [ 0.0000662100000000, -0.0000233100000000, -0.0000345000000000 ] - [ -0.0002191900000000, 0.0004916100000000, 0.0002007500000000 ] - [ 0.0000476300000000, 0.0000297900000000, 0.0000031800000000 ] - [ 0.0000045700000000, -0.0000680800000000, 0.0000209800000000 ] - [ 0.0010307500000000, 0.0022091100000000, 0.0004577700000000 ] - [ -0.0000590000000000, -0.0000001800000000, 0.0000357700000000 ] - [ 0.0000228000000000, -0.0000003900000000, 0.0000135100000000 ] - [ -0.0000683000000000, 0.0000339400000000, 0.0000017600000000 ] - [ 0.0004916100000000, 0.0002191900000000, 0.0002007500000000 ] - [ -0.0000680800000000, -0.0000045700000000, 0.0000209800000000 ] - [ -0.0000233100000000, -0.0000662100000000, -0.0000345000000000 ] - [ 0.0000297900000000, -0.0000476300000000, 0.0000031800000000 ] - [ 0.0000003900000000, 0.0000228000000000, 0.0000135100000000 ] - [ -0.0022091100000000, 0.0010307500000000, 0.0004577700000000 ] - [ -0.0000339400000000, -0.0000683000000000, 0.0000017600000000 ] - [ 0.0000001800000000, -0.0000590000000000, 0.0000357700000000 ] - [ -0.0000297900000000, 0.0000476300000000, 0.0000031800000000 ] - [ 0.0000233100000000, 0.0000662100000000, -0.0000345000000000 ] - [ 0.0000680800000000, 0.0000045700000000, 0.0000209800000000 ] - [ -0.0004916100000000, -0.0002191900000000, 0.0002007500000000 ] - [ -0.0000001800000000, 0.0000590000000000, 0.0000357700000000 ] - [ 0.0000339400000000, 0.0000683000000000, 0.0000017600000000 ] - [ 0.0022091100000000, -0.0010307500000000, 0.0004577700000000 ] - [ -0.0000003900000000, -0.0000228000000000, 0.0000135100000000 ] - [ -0.0000536800000000, -0.0000614200000000, -0.0000314500000000 ] - [ 0.0021377100000000, -0.0010598600000000, 0.0004176400000000 ] - [ -0.0000152000000000, 0.0000271000000000, -0.0000462200000000 ] - [ -0.0000495800000000, 0.0000172000000000, -0.0000117000000000 ] - [ -0.0004428000000000, -0.0002647300000000, 0.0002486800000000 ] - [ 0.0001077600000000, -0.0000439700000000, 0.0000702800000000 ] - [ 0.0000648600000000, 0.0000165700000000, 0.0000152500000000 ] - [ 0.0000112700000000, -0.0000020600000000, 0.0000523700000000 ] - [ 0.0000005500000000, 0.0000006500000000, 0.0000859900000000 ] - [ -0.0000006500000000, 0.0000005500000000, 0.0000859900000000 ] - [ 0.0000006500000000, -0.0000005500000000, 0.0000859900000000 ] - [ -0.0000005500000000, -0.0000006500000000, 0.0000859900000000 ] - [ 0.0000495800000000, -0.0000172000000000, -0.0000117000000000 ] - [ 0.0000152000000000, -0.0000271000000000, -0.0000462200000000 ] - [ -0.0021377100000000, 0.0010598600000000, 0.0004176400000000 ] - [ 0.0000536800000000, 0.0000614200000000, -0.0000314500000000 ] - [ -0.0000112700000000, 0.0000020600000000, 0.0000523700000000 ] - [ -0.0000648600000000, -0.0000165700000000, 0.0000152500000000 ] - [ -0.0001077600000000, 0.0000439700000000, 0.0000702800000000 ] - [ 0.0004428000000000, 0.0002647300000000, 0.0002486800000000 ] - [ -0.0000271000000000, -0.0000152000000000, -0.0000462200000000 ] - [ 0.0000614200000000, -0.0000536800000000, -0.0000314500000000 ] - [ -0.0000172000000000, -0.0000495800000000, -0.0000117000000000 ] - [ 0.0010598600000000, 0.0021377100000000, 0.0004176400000000 ] - [ -0.0000439700000000, -0.0001077600000000, 0.0000702800000000 ] - [ -0.0000020600000000, -0.0000112700000000, 0.0000523700000000 ] - [ -0.0002647300000000, 0.0004428000000000, 0.0002486800000000 ] - [ 0.0000165700000000, -0.0000648600000000, 0.0000152500000000 ] - [ -0.0010598600000000, -0.0021377100000000, 0.0004176400000000 ] - [ 0.0000172000000000, 0.0000495800000000, -0.0000117000000000 ] - [ -0.0000614200000000, 0.0000536800000000, -0.0000314500000000 ] - [ 0.0000271000000000, 0.0000152000000000, -0.0000462200000000 ] - [ -0.0000165700000000, 0.0000648600000000, 0.0000152500000000 ] - [ 0.0002647300000000, -0.0004428000000000, 0.0002486800000000 ] - [ 0.0000020600000000, 0.0000112700000000, 0.0000523700000000 ] - [ 0.0000439700000000, 0.0001077600000000, 0.0000702800000000 ] - [ -0.0000014000000000, -0.0000066200000000, -0.0000653900000000 ] - [ 0.0000066200000000, -0.0000014000000000, -0.0000653900000000 ] - [ -0.0000066200000000, 0.0000014000000000, -0.0000653900000000 ] - [ 0.0000014000000000, 0.0000066200000000, -0.0000653900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080818000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003179300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003179300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000269900000000 ] - [ -0.0002558800000000, -0.0000843100000000, -0.0000380700000000 ] - [ 0.0000843100000000, -0.0002558800000000, -0.0000380700000000 ] - [ -0.0000843100000000, 0.0002558800000000, -0.0000380700000000 ] - [ 0.0002558800000000, 0.0000843100000000, -0.0000380700000000 ] - [ -0.0000649200000000, 0.0000055900000000, -0.0005242700000000 ] - [ -0.0000645900000000, 0.0000049700000000, -0.0000971600000000 ] - [ -0.0000647800000000, 0.0000065500000000, -0.0000850200000000 ] - [ -0.0000641800000000, 0.0000055400000000, 0.0000262700000000 ] - [ -0.0000065500000000, -0.0000647800000000, -0.0000850200000000 ] - [ -0.0000055900000000, -0.0000649200000000, -0.0005242700000000 ] - [ -0.0000055400000000, -0.0000641800000000, 0.0000262700000000 ] - [ -0.0000049700000000, -0.0000645900000000, -0.0000971600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022870400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003215700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003215700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000844400000000 ] - [ 0.0000063400000000, 0.0000647400000000, -0.0000007600000000 ] - [ 0.0000025500000000, 0.0000621700000000, -0.0003554100000000 ] - [ 0.0000068200000000, 0.0000622100000000, -0.0000001600000000 ] - [ 0.0000058100000000, 0.0000672100000000, 0.0003720900000000 ] - [ 0.0000621700000000, -0.0000025500000000, -0.0003554100000000 ] - [ 0.0000672100000000, -0.0000058100000000, 0.0003720900000000 ] - [ 0.0000647400000000, -0.0000063400000000, -0.0000007600000000 ] - [ 0.0000622100000000, -0.0000068200000000, -0.0000001600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025904200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001973100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001973100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000401700000000 ] - [ -0.0000622100000000, 0.0000068200000000, -0.0000001600000000 ] - [ -0.0000647400000000, 0.0000063400000000, -0.0000007600000000 ] - [ -0.0000672100000000, 0.0000058100000000, 0.0003720900000000 ] - [ -0.0000621700000000, 0.0000025500000000, -0.0003554100000000 ] - [ -0.0000058100000000, -0.0000672100000000, 0.0003720900000000 ] - [ -0.0000068200000000, -0.0000622100000000, -0.0000001600000000 ] - [ -0.0000025500000000, -0.0000621700000000, -0.0003554100000000 ] - [ -0.0000063400000000, -0.0000647400000000, -0.0000007600000000 ] - [ 0.0002539600000000, 0.0000835600000000, 0.0000847500000000 ] - [ -0.0000835600000000, 0.0002539600000000, 0.0000847500000000 ] - [ 0.0000835600000000, -0.0002539600000000, 0.0000847500000000 ] - [ -0.0002539600000000, -0.0000835600000000, 0.0000847500000000 ] - [ 0.0000049700000000, 0.0000645900000000, -0.0000971600000000 ] - [ 0.0000055400000000, 0.0000641800000000, 0.0000262700000000 ] - [ 0.0000055900000000, 0.0000649200000000, -0.0005242700000000 ] - [ 0.0000065500000000, 0.0000647800000000, -0.0000850200000000 ] - [ 0.0000641800000000, -0.0000055400000000, 0.0000262700000000 ] - [ 0.0000647800000000, -0.0000065500000000, -0.0000850200000000 ] - [ 0.0000645900000000, -0.0000049700000000, -0.0000971600000000 ] - [ 0.0000649200000000, -0.0000055900000000, -0.0005242700000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000239961, 0.0000000000000000 ] forces: - [ -0.0002561700000000, 0.0000278100000000, -0.0003737600000000 ] - [ 0.0001635200000000, 0.0000395700000000, 0.0002581400000000 ] - [ -0.0000862500000000, -0.0000075700000000, -0.0000801500000000 ] - [ 0.0000994200000000, -0.0000116400000000, -0.0000226300000000 ] - [ 0.0047116200000000, 0.0033261400000000, 0.0050682900000000 ] - [ 0.0025269000000000, 0.0002537100000000, -0.0012064200000000 ] - [ -0.0001020600000000, -0.0001525300000000, -0.0000119000000000 ] - [ 0.0000317100000000, -0.0000476900000000, -0.0000926300000000 ] - [ 0.0010229600000000, 0.0004836500000000, 0.0000000000000000 ] - [ 0.0009167400000000, -0.0025925900000000, 0.0000000000000000 ] - [ 0.0009124200000000, -0.0025894100000000, 0.0000000000000000 ] - [ 0.0010138400000000, 0.0004842000000000, 0.0000000000000000 ] - [ -0.0002128900000000, 0.0000710400000000, 0.0003277400000000 ] - [ 0.0002121900000000, 0.0000819400000000, -0.0003073400000000 ] - [ -0.0000383200000000, 0.0000334800000000, 0.0000305500000000 ] - [ 0.0001484900000000, 0.0000287700000000, -0.0000259700000000 ] - [ 0.0046190300000000, 0.0033260500000000, -0.0049541000000000 ] - [ 0.0024915300000000, 0.0002973700000000, 0.0012626500000000 ] - [ -0.0001434200000000, -0.0001023100000000, 0.0000608200000000 ] - [ -0.0000088000000000, 0.0000009900000000, 0.0001394600000000 ] - [ -0.0005171100000000, 0.0000700900000000, -0.0002323200000000 ] - [ 0.0003233000000000, -0.0001680700000000, 0.0001658100000000 ] - [ -0.0001000400000000, -0.0002096900000000, -0.0000781300000000 ] - [ 0.0001740200000000, 0.0000853200000000, -0.0000615000000000 ] - [ -0.0027552100000000, -0.0035127900000000, 0.0026110400000000 ] - [ 0.0002554600000000, 0.0000096800000000, -0.0000057600000000 ] - [ -0.0004876300000000, 0.0010940000000000, 0.0006502500000000 ] - [ 0.0002714600000000, -0.0001186100000000, -0.0001243000000000 ] - [ -0.0005620600000000, 0.0001126400000000, 0.0001842900000000 ] - [ 0.0002834300000000, -0.0001213900000000, -0.0002172800000000 ] - [ -0.0001398800000000, -0.0001591900000000, 0.0000294100000000 ] - [ 0.0001323700000000, 0.0001340400000000, 0.0000125200000000 ] - [ -0.0026809300000000, -0.0034669900000000, -0.0025522000000000 ] - [ 0.0003061700000000, 0.0000494800000000, 0.0000554500000000 ] - [ -0.0004417400000000, 0.0011406600000000, -0.0006056000000000 ] - [ 0.0003204300000000, -0.0000773400000000, 0.0001718600000000 ] - [ -0.0027552100000000, -0.0035127900000000, -0.0026110400000000 ] - [ 0.0002554600000000, 0.0000096800000000, 0.0000057600000000 ] - [ -0.0004876300000000, 0.0010940000000000, -0.0006502500000000 ] - [ 0.0002714600000000, -0.0001186100000000, 0.0001243000000000 ] - [ -0.0005171100000000, 0.0000700900000000, 0.0002323200000000 ] - [ 0.0003233000000000, -0.0001680700000000, -0.0001658100000000 ] - [ -0.0001000400000000, -0.0002096900000000, 0.0000781300000000 ] - [ 0.0001740200000000, 0.0000853200000000, 0.0000615000000000 ] - [ 0.0002121700000000, -0.0000064400000000, 0.0000000000000000 ] - [ 0.0002842200000000, -0.0000358700000000, 0.0000000000000000 ] - [ -0.0002161800000000, -0.0000896000000000, 0.0000000000000000 ] - [ 0.0001625800000000, 0.0000683900000000, 0.0000000000000000 ] - [ -0.0026809300000000, -0.0034669900000000, 0.0025522000000000 ] - [ 0.0003061700000000, 0.0000494800000000, -0.0000554500000000 ] - [ -0.0004417400000000, 0.0011406600000000, 0.0006056000000000 ] - [ 0.0003204300000000, -0.0000773400000000, -0.0001718600000000 ] - [ -0.0005620600000000, 0.0001126400000000, -0.0001842900000000 ] - [ 0.0002834300000000, -0.0001213900000000, 0.0002172800000000 ] - [ -0.0001398800000000, -0.0001591900000000, -0.0000294100000000 ] - [ 0.0001323700000000, 0.0001340400000000, -0.0000125200000000 ] - [ 0.0047116200000000, 0.0033261400000000, -0.0050682900000000 ] - [ 0.0025269000000000, 0.0002537100000000, 0.0012064200000000 ] - [ -0.0001020600000000, -0.0001525300000000, 0.0000119000000000 ] - [ 0.0000317100000000, -0.0000476900000000, 0.0000926300000000 ] - [ -0.0002561700000000, 0.0000278100000000, 0.0003737600000000 ] - [ 0.0001635200000000, 0.0000395700000000, -0.0002581400000000 ] - [ -0.0000862500000000, -0.0000075700000000, 0.0000801500000000 ] - [ 0.0000994200000000, -0.0000116400000000, 0.0000226300000000 ] - [ 0.0046190300000000, 0.0033260500000000, 0.0049541000000000 ] - [ 0.0024915300000000, 0.0002973700000000, -0.0012626500000000 ] - [ -0.0001434200000000, -0.0001023100000000, -0.0000608200000000 ] - [ -0.0000088000000000, 0.0000009900000000, -0.0001394600000000 ] - [ -0.0002128900000000, 0.0000710400000000, -0.0003277400000000 ] - [ 0.0002121900000000, 0.0000819400000000, 0.0003073400000000 ] - [ -0.0000383200000000, 0.0000334800000000, -0.0000305500000000 ] - [ 0.0001484900000000, 0.0000287700000000, 0.0000259700000000 ] - [ -0.0488815400000000, 0.0000039000000000, 0.0000000000000000 ] - [ 0.0013163600000000, 0.0001053600000000, 0.0000000000000000 ] - [ 0.0000274900000000, -0.0001053800000000, 0.0000000000000000 ] - [ 0.0013143400000000, 0.0000001000000000, 0.0000000000000000 ] - [ -0.0003263200000000, 0.0000039700000000, 0.0000000000000000 ] - [ 0.0003239400000000, -0.0000025800000000, 0.0000000000000000 ] - [ 0.0003260000000000, -0.0000024300000000, 0.0000000000000000 ] - [ -0.0003269000000000, 0.0000010700000000, 0.0000000000000000 ] - [ 0.0035050100000000, -0.0001716200000000, -0.0000687700000000 ] - [ -0.0018955000000000, -0.0006573800000000, -0.0000599800000000 ] - [ 0.0006001400000000, -0.0006315700000000, -0.0000608600000000 ] - [ -0.0001749200000000, -0.0000149800000000, -0.0000617100000000 ] - [ 0.0002252700000000, -0.0001946000000000, 0.0000000000000000 ] - [ -0.0000050600000000, -0.0000909500000000, 0.0000000000000000 ] - [ -0.0002479800000000, 0.0001131500000000, 0.0000000000000000 ] - [ -0.0001107100000000, -0.0000662000000000, 0.0000000000000000 ] - [ 0.0004575500000000, 0.0003464400000000, 0.0000000000000000 ] - [ -0.0003951800000000, -0.0004192700000000, 0.0000000000000000 ] - [ 0.0003612500000000, 0.0001188100000000, 0.0000000000000000 ] - [ -0.0003564900000000, -0.0000871700000000, 0.0000000000000000 ] - [ -0.0000861700000000, -0.0004177500000000, 0.0003568200000000 ] - [ 0.0001297500000000, 0.0000365300000000, -0.0003339200000000 ] - [ 0.0001282300000000, 0.0000407000000000, 0.0004611600000000 ] - [ -0.0000877600000000, -0.0004219100000000, -0.0002335900000000 ] - [ 0.0093164400000000, -0.0011058600000000, 0.0000000000000000 ] - [ -0.0009500900000000, -0.0000680000000000, 0.0000000000000000 ] - [ 0.0001600500000000, 0.0002237300000000, 0.0000000000000000 ] - [ -0.0009970500000000, 0.0013030000000000, 0.0000000000000000 ] - [ 0.0032641100000000, 0.0023783000000000, 0.0000000000000000 ] - [ -0.0006267100000000, -0.0001021700000000, 0.0000000000000000 ] - [ 0.0008334100000000, -0.0001634700000000, 0.0000000000000000 ] - [ -0.0003150300000000, -0.0000740100000000, 0.0000000000000000 ] - [ -0.0000861700000000, -0.0004177500000000, -0.0003568200000000 ] - [ 0.0001297500000000, 0.0000365300000000, 0.0003339200000000 ] - [ 0.0001282300000000, 0.0000407000000000, -0.0004611600000000 ] - [ -0.0000877600000000, -0.0004219100000000, 0.0002335900000000 ] - [ 0.0031954300000000, 0.0025446200000000, 0.0000000000000000 ] - [ -0.0007518800000000, -0.0000930300000000, 0.0000000000000000 ] - [ 0.0007027100000000, -0.0001455200000000, 0.0000000000000000 ] - [ -0.0004477600000000, -0.0000651500000000, 0.0000000000000000 ] - [ 0.0086246500000000, -0.0009161800000000, 0.0000000000000000 ] - [ -0.0009662000000000, -0.0002052600000000, 0.0000000000000000 ] - [ 0.0001511400000000, 0.0000940900000000, 0.0000000000000000 ] - [ -0.0010078700000000, 0.0011773900000000, 0.0000000000000000 ] - [ 0.0035050100000000, -0.0001716200000000, 0.0000687700000000 ] - [ -0.0018955000000000, -0.0006573800000000, 0.0000599800000000 ] - [ 0.0006001400000000, -0.0006315700000000, 0.0000608600000000 ] - [ -0.0001749200000000, -0.0000149800000000, 0.0000617100000000 ] - [ 0.0004671500000000, 0.0004774300000000, 0.0000000000000000 ] - [ -0.0003843700000000, -0.0002919000000000, 0.0000000000000000 ] - [ 0.0003744100000000, 0.0002474500000000, 0.0000000000000000 ] - [ -0.0003433400000000, 0.0000410900000000, 0.0000000000000000 ] - [ 0.0003545700000000, -0.0002019000000000, 0.0000000000000000 ] - [ 0.0001247900000000, -0.0001035200000000, 0.0000000000000000 ] - [ -0.0001215800000000, 0.0001021400000000, 0.0000000000000000 ] - [ 0.0000176300000000, -0.0000777800000000, 0.0000000000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0020229300000000, 0.0012386000000000, 0.0011754300000000 ] - [ 0.0002568400000000, -0.0000245900000000, 0.0000289700000000 ] - [ 0.0001286200000000, -0.0000554800000000, -0.0001140900000000 ] - [ -0.0000342200000000, -0.0001322500000000, -0.0000262100000000 ] - [ 0.0049729000000000, 0.0022698300000000, 0.0003056100000000 ] - [ 0.0001400200000000, 0.0001144000000000, 0.0000849600000000 ] - [ -0.0001015400000000, -0.0001563900000000, 0.0000170500000000 ] - [ 0.0000406900000000, -0.0000859400000000, 0.0000271500000000 ] - [ 0.0000061000000000, 0.0000012100000000, -0.0000664100000000 ] - [ -0.0000012100000000, 0.0000061000000000, -0.0000664100000000 ] - [ 0.0000012100000000, -0.0000061000000000, -0.0000664100000000 ] - [ -0.0000061000000000, -0.0000012100000000, -0.0000664100000000 ] - [ 0.0020229300000000, -0.0012386000000000, 0.0011754300000000 ] - [ -0.0002568400000000, 0.0000245900000000, 0.0000289700000000 ] - [ -0.0001286200000000, 0.0000554800000000, -0.0001140900000000 ] - [ 0.0000342200000000, 0.0001322500000000, -0.0000262100000000 ] - [ -0.0049729000000000, -0.0022698300000000, 0.0003056100000000 ] - [ -0.0001400200000000, -0.0001144000000000, 0.0000849600000000 ] - [ 0.0001015400000000, 0.0001563900000000, 0.0000170500000000 ] - [ -0.0000406900000000, 0.0000859400000000, 0.0000271500000000 ] - [ -0.0012386000000000, -0.0020229300000000, 0.0011754300000000 ] - [ 0.0000554800000000, 0.0001286200000000, -0.0001140900000000 ] - [ 0.0000245900000000, 0.0002568400000000, 0.0000289700000000 ] - [ 0.0001322500000000, -0.0000342200000000, -0.0000262100000000 ] - [ 0.0022698300000000, -0.0049729000000000, 0.0003056100000000 ] - [ -0.0001563900000000, 0.0001015400000000, 0.0000170500000000 ] - [ 0.0001144000000000, -0.0001400200000000, 0.0000849600000000 ] - [ -0.0000859400000000, -0.0000406900000000, 0.0000271500000000 ] - [ 0.0012386000000000, 0.0020229300000000, 0.0011754300000000 ] - [ -0.0000554800000000, -0.0001286200000000, -0.0001140900000000 ] - [ -0.0000245900000000, -0.0002568400000000, 0.0000289700000000 ] - [ -0.0001322500000000, 0.0000342200000000, -0.0000262100000000 ] - [ -0.0022698300000000, 0.0049729000000000, 0.0003056100000000 ] - [ 0.0001563900000000, -0.0001015400000000, 0.0000170500000000 ] - [ -0.0001144000000000, 0.0001400200000000, 0.0000849600000000 ] - [ 0.0000859400000000, 0.0000406900000000, 0.0000271500000000 ] - [ -0.0022953400000000, 0.0048859100000000, 0.0002715200000000 ] - [ 0.0001066200000000, -0.0001438400000000, -0.0000317400000000 ] - [ -0.0001589600000000, 0.0000912600000000, 0.0000422000000000 ] - [ 0.0000364600000000, -0.0000000600000000, -0.0000197000000000 ] - [ 0.0012726400000000, 0.0019627200000000, 0.0012171800000000 ] - [ -0.0000130500000000, -0.0001773900000000, -0.0000636700000000 ] - [ 0.0000150400000000, -0.0003056800000000, 0.0000788900000000 ] - [ -0.0000910900000000, -0.0000150700000000, 0.0000231000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080792000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003192400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003192400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000280400000000 ] - [ 0.0022953400000000, -0.0048859100000000, 0.0002715200000000 ] - [ -0.0001066200000000, 0.0001438400000000, -0.0000317400000000 ] - [ 0.0001589600000000, -0.0000912600000000, 0.0000422000000000 ] - [ -0.0000364600000000, 0.0000000600000000, -0.0000197000000000 ] - [ -0.0012726400000000, -0.0019627200000000, 0.0012171800000000 ] - [ 0.0000130500000000, 0.0001773900000000, -0.0000636700000000 ] - [ -0.0000150400000000, 0.0003056800000000, 0.0000788900000000 ] - [ 0.0000910900000000, 0.0000150700000000, 0.0000231000000000 ] - [ -0.0048859100000000, -0.0022953400000000, 0.0002715200000000 ] - [ -0.0000912600000000, -0.0001589600000000, 0.0000422000000000 ] - [ 0.0001438400000000, 0.0001066200000000, -0.0000317400000000 ] - [ 0.0000000600000000, 0.0000364600000000, -0.0000197000000000 ] - [ 0.0019627200000000, -0.0012726400000000, 0.0012171800000000 ] - [ -0.0003056800000000, -0.0000150400000000, 0.0000788900000000 ] - [ -0.0001773900000000, 0.0000130500000000, -0.0000636700000000 ] - [ -0.0000150700000000, 0.0000910900000000, 0.0000231000000000 ] - [ 0.0048859100000000, 0.0022953400000000, 0.0002715200000000 ] - [ 0.0000912600000000, 0.0001589600000000, 0.0000422000000000 ] - [ -0.0001438400000000, -0.0001066200000000, -0.0000317400000000 ] - [ -0.0000000600000000, -0.0000364600000000, -0.0000197000000000 ] - [ -0.0019627200000000, 0.0012726400000000, 0.0012171800000000 ] - [ 0.0003056800000000, 0.0000150400000000, 0.0000788900000000 ] - [ 0.0001773900000000, -0.0000130500000000, -0.0000636700000000 ] - [ 0.0000150700000000, -0.0000910900000000, 0.0000231000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0387218400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009678700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009678700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000348600000000 ] - [ -0.0000017600000000, -0.0000015600000000, 0.0004139500000000 ] - [ 0.0000015600000000, -0.0000017600000000, 0.0004139500000000 ] - [ -0.0000015600000000, 0.0000017600000000, 0.0004139500000000 ] - [ 0.0000017600000000, 0.0000015600000000, 0.0004139500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048253800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001747300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001747300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001079700000000 ] - [ -0.0000627600000000, 0.0000055600000000, -0.0004384900000000 ] - [ -0.0000712700000000, 0.0000051200000000, -0.0009783200000000 ] - [ -0.0000641700000000, 0.0000046000000000, -0.0000825000000000 ] - [ -0.0000645600000000, 0.0000043300000000, 0.0000479100000000 ] - [ -0.0000055600000000, -0.0000627600000000, -0.0004384900000000 ] - [ -0.0000046000000000, -0.0000641700000000, -0.0000825000000000 ] - [ -0.0000051200000000, -0.0000712700000000, -0.0009783200000000 ] - [ -0.0000043300000000, -0.0000645600000000, 0.0000479100000000 ] - [ 0.0003843000000000, 0.0003108900000000, -0.0001588800000000 ] - [ -0.0003108900000000, 0.0003843000000000, -0.0001588800000000 ] - [ 0.0003108900000000, -0.0003843000000000, -0.0001588800000000 ] - [ -0.0003843000000000, -0.0003108900000000, -0.0001588800000000 ] - [ 0.0000107200000000, 0.0000589900000000, 0.0029398900000000 ] - [ 0.0000066900000000, 0.0000646600000000, 0.0004449500000000 ] - [ 0.0000045000000000, 0.0000645300000000, 0.0001347800000000 ] - [ 0.0000042200000000, 0.0000668200000000, -0.0000779200000000 ] - [ 0.0000589900000000, -0.0000107200000000, 0.0029398900000000 ] - [ 0.0000645300000000, -0.0000045000000000, 0.0001347800000000 ] - [ 0.0000646600000000, -0.0000066900000000, 0.0004449500000000 ] - [ 0.0000668200000000, -0.0000042200000000, -0.0000779200000000 ] - [ -0.0003815200000000, -0.0003089500000000, -0.0002829700000000 ] - [ 0.0003089500000000, -0.0003815200000000, -0.0002829700000000 ] - [ -0.0003089500000000, 0.0003815200000000, -0.0002829700000000 ] - [ 0.0003815200000000, 0.0003089500000000, -0.0002829700000000 ] - [ -0.0000589900000000, 0.0000107200000000, 0.0029398900000000 ] - [ -0.0000645300000000, 0.0000045000000000, 0.0001347800000000 ] - [ -0.0000646600000000, 0.0000066900000000, 0.0004449500000000 ] - [ -0.0000668200000000, 0.0000042200000000, -0.0000779200000000 ] - [ -0.0000107200000000, -0.0000589900000000, 0.0029398900000000 ] - [ -0.0000066900000000, -0.0000646600000000, 0.0004449500000000 ] - [ -0.0000045000000000, -0.0000645300000000, 0.0001347800000000 ] - [ -0.0000042200000000, -0.0000668200000000, -0.0000779200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040189100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002943600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002943600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000136000000000 ] - [ 0.0000055600000000, 0.0000627600000000, -0.0004384900000000 ] - [ 0.0000046000000000, 0.0000641700000000, -0.0000825000000000 ] - [ 0.0000051200000000, 0.0000712700000000, -0.0009783200000000 ] - [ 0.0000043300000000, 0.0000645600000000, 0.0000479100000000 ] - [ 0.0000627600000000, -0.0000055600000000, -0.0004384900000000 ] - [ 0.0000712700000000, -0.0000051200000000, -0.0009783200000000 ] - [ 0.0000641700000000, -0.0000046000000000, -0.0000825000000000 ] - [ 0.0000645600000000, -0.0000043300000000, 0.0000479100000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000239961, 0.0000000000000000 ] forces: - [ 0.0014099600000000, 0.0004329300000000, 0.0003062500000000 ] - [ -0.0005795900000000, -0.0003851800000000, -0.0004425600000000 ] - [ 0.0001084600000000, -0.0001572100000000, -0.0000547300000000 ] - [ -0.0001045800000000, 0.0000490400000000, -0.0000176400000000 ] - [ 0.0018132600000000, -0.0000011800000000, -0.0001698100000000 ] - [ -0.0007875800000000, 0.0002854200000000, -0.0001926500000000 ] - [ 0.0000597000000000, 0.0001263200000000, 0.0000937100000000 ] - [ -0.0000746700000000, -0.0000842100000000, -0.0000788800000000 ] - [ -0.0001673700000000, -0.0003063700000000, -0.0002532500000000 ] - [ -0.0001663300000000, 0.0002196900000000, 0.0000832600000000 ] - [ -0.0001679600000000, 0.0002199200000000, -0.0000843300000000 ] - [ -0.0001667800000000, -0.0003135300000000, 0.0002563800000000 ] - [ 0.0015440400000000, 0.0004394200000000, -0.0003097900000000 ] - [ -0.0005257100000000, -0.0003390600000000, 0.0003863300000000 ] - [ 0.0001600800000000, -0.0001162600000000, 0.0000044200000000 ] - [ -0.0000557500000000, 0.0000905500000000, -0.0000311400000000 ] - [ 0.0016226800000000, -0.0000157600000000, 0.0001641000000000 ] - [ -0.0008325400000000, 0.0003419700000000, 0.0002440400000000 ] - [ 0.0000177300000000, 0.0001759500000000, -0.0000439100000000 ] - [ -0.0001148300000000, -0.0000351700000000, 0.0001275600000000 ] - [ 0.0003362200000000, 0.0002435400000000, -0.0000400500000000 ] - [ -0.0003394300000000, 0.0000646500000000, 0.0000886000000000 ] - [ 0.0001998700000000, 0.0000385700000000, 0.0001088400000000 ] - [ -0.0002385200000000, -0.0001009100000000, 0.0000465100000000 ] - [ 0.0007861300000000, -0.0004278100000000, -0.0000813100000000 ] - [ -0.0003888100000000, -0.0001117000000000, 0.0000304100000000 ] - [ 0.0002521100000000, -0.0001163500000000, 0.0000280800000000 ] - [ -0.0001947700000000, 0.0000228800000000, 0.0000058500000000 ] - [ 0.0003018600000000, 0.0003153300000000, 0.0000076800000000 ] - [ -0.0003804500000000, 0.0001118900000000, -0.0001363000000000 ] - [ 0.0001599500000000, 0.0000859500000000, -0.0001586200000000 ] - [ -0.0002792300000000, -0.0000517200000000, -0.0000943100000000 ] - [ 0.0008238500000000, -0.0003495000000000, 0.0001188800000000 ] - [ -0.0003415700000000, -0.0000744600000000, 0.0000160400000000 ] - [ 0.0003007600000000, -0.0000785100000000, 0.0000216300000000 ] - [ -0.0001457900000000, 0.0000634800000000, 0.0000424800000000 ] - [ 0.0004952700000000, 0.0001200300000000, 0.0001160100000000 ] - [ -0.0002653500000000, -0.0002127400000000, -0.0000958800000000 ] - [ 0.0001778100000000, -0.0000981700000000, -0.0000986400000000 ] - [ -0.0001406900000000, 0.0000143500000000, 0.0000475700000000 ] - [ 0.0002731600000000, -0.0000194100000000, 0.0001321600000000 ] - [ -0.0003532000000000, 0.0002386300000000, -0.0001411900000000 ] - [ 0.0001611900000000, 0.0000276000000000, -0.0000086700000000 ] - [ -0.0001788600000000, -0.0000743900000000, -0.0000258100000000 ] - [ 0.0005072500000000, -0.0000596700000000, -0.0000020300000000 ] - [ -0.0005940900000000, -0.0001848800000000, 0.0000002600000000 ] - [ 0.0002078100000000, -0.0000905700000000, -0.0000010800000000 ] - [ -0.0002251600000000, 0.0000321400000000, -0.0000002900000000 ] - [ 0.0005394800000000, 0.0001643900000000, -0.0001627500000000 ] - [ -0.0002151300000000, -0.0001774400000000, 0.0000492400000000 ] - [ 0.0002254600000000, -0.0000583200000000, 0.0000510300000000 ] - [ -0.0000901300000000, 0.0000564900000000, -0.0000971100000000 ] - [ 0.0002360600000000, 0.0000338900000000, -0.0000861700000000 ] - [ -0.0003938000000000, 0.0002824800000000, 0.0001885300000000 ] - [ 0.0001222300000000, 0.0000773100000000, 0.0000567400000000 ] - [ -0.0002207900000000, -0.0000236600000000, 0.0000742000000000 ] - [ 0.0000883500000000, -0.0001705000000000, 0.0000848200000000 ] - [ -0.0001043500000000, 0.0000843000000000, -0.0001830100000000 ] - [ -0.0000229200000000, 0.0000131400000000, -0.0001420900000000 ] - [ -0.0000309900000000, -0.0000380700000000, 0.0000872300000000 ] - [ 0.0001002200000000, -0.0000403000000000, 0.0000870500000000 ] - [ -0.0000334100000000, -0.0001712200000000, -0.0000690900000000 ] - [ -0.0001121900000000, -0.0000819200000000, 0.0000495300000000 ] - [ -0.0000822400000000, -0.0000439200000000, 0.0000001000000000 ] - [ 0.0000389100000000, -0.0001208400000000, -0.0001300200000000 ] - [ -0.0001433000000000, 0.0001364700000000, 0.0001370100000000 ] - [ -0.0000650400000000, 0.0000622900000000, 0.0000939400000000 ] - [ -0.0000703800000000, 0.0000109700000000, -0.0001359600000000 ] - [ 0.0001562400000000, -0.0000014500000000, -0.0000397000000000 ] - [ 0.0000122500000000, -0.0001282900000000, 0.0001171300000000 ] - [ -0.0000607900000000, -0.0000408800000000, -0.0000016800000000 ] - [ -0.0000339200000000, -0.0000030200000000, 0.0000484400000000 ] - [ 0.0035044100000000, 0.0001716800000000, -0.0000223100000000 ] - [ -0.0018954000000000, 0.0006315700000000, -0.0000046500000000 ] - [ 0.0005992000000000, 0.0006573400000000, 0.0000025900000000 ] - [ -0.0001769400000000, 0.0000150000000000, -0.0000003300000000 ] - [ -0.0000888900000000, -0.0000393600000000, 0.0003823200000000 ] - [ 0.0001311600000000, 0.0004222700000000, -0.0003098300000000 ] - [ 0.0001265400000000, 0.0004183500000000, 0.0003103200000000 ] - [ -0.0000853800000000, -0.0000388400000000, -0.0003836800000000 ] - [ -0.0167491000000000, 0.0000000000000000, -0.0000423000000000 ] - [ 0.0003962500000000, -0.0000059100000000, -0.0000610000000000 ] - [ -0.0000291800000000, 0.0000061600000000, -0.0000628600000000 ] - [ 0.0001251900000000, 0.0000001400000000, -0.0000619700000000 ] - [ -0.0002218900000000, 0.0001233200000000, -0.0002078700000000 ] - [ 0.0017998000000000, -0.0003518700000000, 0.0016839000000000 ] - [ -0.0001218500000000, -0.0001110500000000, -0.0000266900000000 ] - [ 0.0000727300000000, 0.0001655500000000, 0.0000704300000000 ] - [ -0.0004092700000000, -0.0001564900000000, 0.0003704200000000 ] - [ 0.0003606300000000, 0.0003970000000000, -0.0003745800000000 ] - [ -0.0000698200000000, 0.0007168300000000, 0.0007534900000000 ] - [ 0.0003339700000000, -0.0001341800000000, -0.0000619600000000 ] - [ 0.0003474800000000, 0.0006560600000000, -0.0005371300000000 ] - [ 0.0001026300000000, -0.0006574900000000, -0.0000409800000000 ] - [ 0.0001089200000000, -0.0006570700000000, 0.0001618000000000 ] - [ 0.0003397300000000, 0.0006579100000000, 0.0006710000000000 ] - [ 0.0001970700000000, -0.0003188900000000, -0.0018497400000000 ] - [ 0.0024934500000000, -0.0004141100000000, 0.0010449200000000 ] - [ -0.0000965200000000, 0.0001019300000000, 0.0001265700000000 ] - [ 0.0001546500000000, 0.0001008200000000, -0.0000473000000000 ] - [ -0.0005226200000000, 0.0002581800000000, 0.0007875500000000 ] - [ 0.0007021800000000, -0.0001857800000000, -0.0002854700000000 ] - [ -0.0003745000000000, -0.0011423600000000, 0.0003622100000000 ] - [ 0.0002971400000000, -0.0000692800000000, 0.0000596000000000 ] - [ -0.0000458900000000, 0.0000639600000000, -0.0002418300000000 ] - [ -0.0000935100000000, -0.0000645800000000, -0.0000647000000000 ] - [ -0.0000909100000000, -0.0000639200000000, -0.0000616500000000 ] - [ -0.0000482100000000, 0.0000650900000000, 0.0001193700000000 ] - [ -0.0006635500000000, 0.0002615100000000, -0.0007820100000000 ] - [ 0.0005743800000000, -0.0001717500000000, 0.0002847200000000 ] - [ -0.0005015300000000, -0.0011271300000000, -0.0003668500000000 ] - [ 0.0001689300000000, -0.0000587700000000, -0.0000600400000000 ] - [ 0.0001847200000000, -0.0004376800000000, 0.0018242100000000 ] - [ 0.0024957300000000, -0.0005415300000000, -0.0010553900000000 ] - [ -0.0001053900000000, -0.0000269900000000, -0.0001258700000000 ] - [ 0.0001417800000000, -0.0000280200000000, 0.0000482400000000 ] - [ 0.0000307300000000, -0.0000001100000000, 0.0000903700000000 ] - [ 0.0006202600000000, -0.0000551300000000, 0.0000588400000000 ] - [ -0.0002090400000000, 0.0000548500000000, 0.0000634500000000 ] - [ 0.0001457200000000, -0.0000001200000000, 0.0000623200000000 ] - [ -0.0003916500000000, -0.0000300200000000, -0.0003726100000000 ] - [ 0.0003714800000000, 0.0005299500000000, 0.0003773600000000 ] - [ -0.0000590000000000, 0.0008528600000000, -0.0007546600000000 ] - [ 0.0003434600000000, -0.0000058000000000, 0.0000615600000000 ] - [ -0.0000955500000000, 0.0001173500000000, 0.0002111600000000 ] - [ 0.0019185500000000, -0.0003591800000000, -0.0016703600000000 ] - [ 0.0000039700000000, -0.0001220300000000, 0.0000269700000000 ] - [ 0.0002034500000000, 0.0001523700000000, -0.0000706500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009228900000000, -0.0008107800000000, -0.0002857500000000 ] - [ -0.0003287400000000, -0.0000533200000000, 0.0001449700000000 ] - [ 0.0000245000000000, 0.0000533700000000, 0.0001353500000000 ] - [ -0.0000181300000000, 0.0000003400000000, -0.0000158800000000 ] - [ -0.0003036600000000, -0.0001263100000000, 0.0014468600000000 ] - [ -0.0001761500000000, 0.0000394900000000, 0.0003710500000000 ] - [ 0.0001066100000000, -0.0000464800000000, 0.0001484800000000 ] - [ 0.0000187800000000, 0.0000146000000000, 0.0000850200000000 ] - [ -0.0003598600000000, -0.0002988300000000, 0.0000225500000000 ] - [ 0.0002988300000000, -0.0003598600000000, 0.0000225500000000 ] - [ -0.0002988300000000, 0.0003598600000000, 0.0000225500000000 ] - [ 0.0003598600000000, 0.0002988300000000, 0.0000225500000000 ] - [ -0.0009228900000000, 0.0008107800000000, -0.0002857500000000 ] - [ 0.0003287400000000, 0.0000533200000000, 0.0001449700000000 ] - [ -0.0000245000000000, -0.0000533700000000, 0.0001353500000000 ] - [ 0.0000181300000000, -0.0000003400000000, -0.0000158800000000 ] - [ 0.0003036600000000, 0.0001263100000000, 0.0014468600000000 ] - [ 0.0001761500000000, -0.0000394900000000, 0.0003710500000000 ] - [ -0.0001066100000000, 0.0000464800000000, 0.0001484800000000 ] - [ -0.0000187800000000, -0.0000146000000000, 0.0000850200000000 ] - [ 0.0008107800000000, 0.0009228900000000, -0.0002857500000000 ] - [ -0.0000533700000000, 0.0000245000000000, 0.0001353500000000 ] - [ 0.0000533200000000, -0.0003287400000000, 0.0001449700000000 ] - [ -0.0000003400000000, -0.0000181300000000, -0.0000158800000000 ] - [ -0.0001263100000000, 0.0003036600000000, 0.0014468600000000 ] - [ -0.0000464800000000, -0.0001066100000000, 0.0001484800000000 ] - [ 0.0000394900000000, 0.0001761500000000, 0.0003710500000000 ] - [ 0.0000146000000000, -0.0000187800000000, 0.0000850200000000 ] - [ -0.0008107800000000, -0.0009228900000000, -0.0002857500000000 ] - [ 0.0000533700000000, -0.0000245000000000, 0.0001353500000000 ] - [ -0.0000533200000000, 0.0003287400000000, 0.0001449700000000 ] - [ 0.0000003400000000, 0.0000181300000000, -0.0000158800000000 ] - [ 0.0001263100000000, -0.0003036600000000, 0.0014468600000000 ] - [ 0.0000464800000000, 0.0001066100000000, 0.0001484800000000 ] - [ -0.0000394900000000, -0.0001761500000000, 0.0003710500000000 ] - [ -0.0000146000000000, 0.0000187800000000, 0.0000850200000000 ] - [ 0.0000648200000000, -0.0005272800000000, -0.0000335600000000 ] - [ -0.0000857800000000, -0.0000938700000000, -0.0000612600000000 ] - [ 0.0000769400000000, 0.0003437200000000, -0.0001376900000000 ] - [ -0.0000226000000000, -0.0000438900000000, -0.0000527700000000 ] - [ -0.0002972900000000, -0.0003416700000000, -0.0007478200000000 ] - [ -0.0000642900000000, -0.0000462100000000, -0.0000578000000000 ] - [ 0.0000295400000000, -0.0000744400000000, -0.0003016500000000 ] - [ 0.0000973500000000, -0.0000485500000000, -0.0000231700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023641500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002584000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002584000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000202700000000 ] - [ -0.0000648200000000, 0.0005272800000000, -0.0000335600000000 ] - [ 0.0000857800000000, 0.0000938700000000, -0.0000612600000000 ] - [ -0.0000769400000000, -0.0003437200000000, -0.0001376900000000 ] - [ 0.0000226000000000, 0.0000438900000000, -0.0000527700000000 ] - [ 0.0002972900000000, 0.0003416700000000, -0.0007478200000000 ] - [ 0.0000642900000000, 0.0000462100000000, -0.0000578000000000 ] - [ -0.0000295400000000, 0.0000744400000000, -0.0003016500000000 ] - [ -0.0000973500000000, 0.0000485500000000, -0.0000231700000000 ] - [ 0.0005272800000000, 0.0000648200000000, -0.0000335600000000 ] - [ -0.0003437200000000, 0.0000769400000000, -0.0001376900000000 ] - [ 0.0000938700000000, -0.0000857800000000, -0.0000612600000000 ] - [ 0.0000438900000000, -0.0000226000000000, -0.0000527700000000 ] - [ -0.0003416700000000, 0.0002972900000000, -0.0007478200000000 ] - [ -0.0000744400000000, -0.0000295400000000, -0.0003016500000000 ] - [ -0.0000462100000000, 0.0000642900000000, -0.0000578000000000 ] - [ -0.0000485500000000, -0.0000973500000000, -0.0000231700000000 ] - [ -0.0005272800000000, -0.0000648200000000, -0.0000335600000000 ] - [ 0.0003437200000000, -0.0000769400000000, -0.0001376900000000 ] - [ -0.0000938700000000, 0.0000857800000000, -0.0000612600000000 ] - [ -0.0000438900000000, 0.0000226000000000, -0.0000527700000000 ] - [ 0.0003416700000000, -0.0002972900000000, -0.0007478200000000 ] - [ 0.0000744400000000, 0.0000295400000000, -0.0003016500000000 ] - [ 0.0000462100000000, -0.0000642900000000, -0.0000578000000000 ] - [ 0.0000485500000000, 0.0000973500000000, -0.0000231700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039680700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002369200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002369200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000475800000000 ] - [ 0.0002956200000000, 0.0004022200000000, -0.0002197300000000 ] - [ -0.0004022200000000, 0.0002956200000000, -0.0002197300000000 ] - [ 0.0004022200000000, -0.0002956200000000, -0.0002197300000000 ] - [ -0.0002956200000000, -0.0004022200000000, -0.0002197300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0261662900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002727500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002727500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000591300000000 ] - [ -0.0005020300000000, -0.0003668700000000, 0.0001283800000000 ] - [ 0.0008122200000000, 0.0000170500000000, 0.0008770600000000 ] - [ -0.0000180800000000, 0.0000046200000000, 0.0000057500000000 ] - [ 0.0000443300000000, 0.0002662800000000, -0.0000034900000000 ] - [ 0.0003668700000000, -0.0005020300000000, 0.0001283800000000 ] - [ -0.0000046200000000, -0.0000180800000000, 0.0000057500000000 ] - [ -0.0000170500000000, 0.0008122200000000, 0.0008770600000000 ] - [ -0.0002662800000000, 0.0000443300000000, -0.0000034900000000 ] - [ -0.0006035200000000, 0.0001021700000000, -0.0003424900000000 ] - [ -0.0001021700000000, -0.0006035200000000, -0.0003424900000000 ] - [ 0.0001021700000000, 0.0006035200000000, -0.0003424900000000 ] - [ 0.0006035200000000, -0.0001021700000000, -0.0003424900000000 ] - [ -0.0021465000000000, 0.0012436100000000, 0.0007551400000000 ] - [ 0.0003877400000000, -0.0000761200000000, -0.0002270900000000 ] - [ 0.0000114400000000, 0.0001285500000000, -0.0001992500000000 ] - [ 0.0001194100000000, -0.0000159900000000, 0.0000740700000000 ] - [ 0.0012436100000000, 0.0021465000000000, 0.0007551400000000 ] - [ 0.0001285500000000, -0.0000114400000000, -0.0001992500000000 ] - [ -0.0000761200000000, -0.0003877400000000, -0.0002270900000000 ] - [ -0.0000159900000000, -0.0001194100000000, 0.0000740700000000 ] - [ 0.0001797000000000, -0.0000023000000000, 0.0000655500000000 ] - [ 0.0000023000000000, 0.0001797000000000, 0.0000655500000000 ] - [ -0.0000023000000000, -0.0001797000000000, 0.0000655500000000 ] - [ -0.0001797000000000, 0.0000023000000000, 0.0000655500000000 ] - [ -0.0012436100000000, -0.0021465000000000, 0.0007551400000000 ] - [ -0.0001285500000000, 0.0000114400000000, -0.0001992500000000 ] - [ 0.0000761200000000, 0.0003877400000000, -0.0002270900000000 ] - [ 0.0000159900000000, 0.0001194100000000, 0.0000740700000000 ] - [ 0.0021465000000000, -0.0012436100000000, 0.0007551400000000 ] - [ -0.0003877400000000, 0.0000761200000000, -0.0002270900000000 ] - [ -0.0000114400000000, -0.0001285500000000, -0.0001992500000000 ] - [ -0.0001194100000000, 0.0000159900000000, 0.0000740700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0166506200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006106200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006106200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001284900000000 ] - [ -0.0003668700000000, 0.0005020300000000, 0.0001283800000000 ] - [ 0.0000046200000000, 0.0000180800000000, 0.0000057500000000 ] - [ 0.0000170500000000, -0.0008122200000000, 0.0008770600000000 ] - [ 0.0002662800000000, -0.0000443300000000, -0.0000034900000000 ] - [ 0.0005020300000000, 0.0003668700000000, 0.0001283800000000 ] - [ -0.0008122200000000, -0.0000170500000000, 0.0008770600000000 ] - [ 0.0000180800000000, -0.0000046200000000, 0.0000057500000000 ] - [ -0.0000443300000000, -0.0002662800000000, -0.0000034900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009844200000000, 0.0007797800000000, 0.0002543900000000 ] - [ 0.0002773300000000, 0.0000139200000000, -0.0001915800000000 ] - [ -0.0000723100000000, -0.0000952300000000, -0.0001847400000000 ] - [ -0.0000316800000000, -0.0000420000000000, -0.0000336200000000 ] - [ 0.0003768900000000, 0.0000930200000000, -0.0014016800000000 ] - [ 0.0002166700000000, -0.0000867800000000, -0.0003226200000000 ] - [ -0.0000652600000000, -0.0000049300000000, -0.0000985500000000 ] - [ 0.0000221500000000, -0.0000644800000000, -0.0000362800000000 ] - [ 0.0003614000000000, 0.0002975400000000, -0.0000243800000000 ] - [ -0.0002975400000000, 0.0003614000000000, -0.0000243800000000 ] - [ 0.0002975400000000, -0.0003614000000000, -0.0000243800000000 ] - [ -0.0003614000000000, -0.0002975400000000, -0.0000243800000000 ] - [ 0.0009844200000000, -0.0007797800000000, 0.0002543900000000 ] - [ -0.0002773300000000, -0.0000139200000000, -0.0001915800000000 ] - [ 0.0000723100000000, 0.0000952300000000, -0.0001847400000000 ] - [ 0.0000316800000000, 0.0000420000000000, -0.0000336200000000 ] - [ -0.0003768900000000, -0.0000930200000000, -0.0014016800000000 ] - [ -0.0002166700000000, 0.0000867800000000, -0.0003226200000000 ] - [ 0.0000652600000000, 0.0000049300000000, -0.0000985500000000 ] - [ -0.0000221500000000, 0.0000644800000000, -0.0000362800000000 ] - [ -0.0007797800000000, -0.0009844200000000, 0.0002543900000000 ] - [ 0.0000952300000000, -0.0000723100000000, -0.0001847400000000 ] - [ -0.0000139200000000, 0.0002773300000000, -0.0001915800000000 ] - [ 0.0000420000000000, -0.0000316800000000, -0.0000336200000000 ] - [ 0.0000930200000000, -0.0003768900000000, -0.0014016800000000 ] - [ -0.0000049300000000, 0.0000652600000000, -0.0000985500000000 ] - [ -0.0000867800000000, -0.0002166700000000, -0.0003226200000000 ] - [ -0.0000644800000000, -0.0000221500000000, -0.0000362800000000 ] - [ 0.0007797800000000, 0.0009844200000000, 0.0002543900000000 ] - [ -0.0000952300000000, 0.0000723100000000, -0.0001847400000000 ] - [ 0.0000139200000000, -0.0002773300000000, -0.0001915800000000 ] - [ -0.0000420000000000, 0.0000316800000000, -0.0000336200000000 ] - [ -0.0000930200000000, 0.0003768900000000, -0.0014016800000000 ] - [ 0.0000049300000000, -0.0000652600000000, -0.0000985500000000 ] - [ 0.0000867800000000, 0.0002166700000000, -0.0003226200000000 ] - [ 0.0000644800000000, 0.0000221500000000, -0.0000362800000000 ] - [ -0.0001162400000000, 0.0004926600000000, -0.0000183400000000 ] - [ 0.0000357200000000, 0.0000519900000000, 0.0000121000000000 ] - [ -0.0001243000000000, -0.0003872100000000, 0.0000873200000000 ] - [ -0.0000267600000000, 0.0000026400000000, 0.0000035500000000 ] - [ 0.0003447800000000, 0.0003083400000000, 0.0007938700000000 ] - [ 0.0001062700000000, -0.0000031500000000, 0.0001077900000000 ] - [ 0.0000116900000000, 0.0000219100000000, 0.0003488500000000 ] - [ -0.0000564800000000, -0.0000011700000000, 0.0000717600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025128900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002589200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002589200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000198700000000 ] - [ 0.0001162400000000, -0.0004926600000000, -0.0000183400000000 ] - [ -0.0000357200000000, -0.0000519900000000, 0.0000121000000000 ] - [ 0.0001243000000000, 0.0003872100000000, 0.0000873200000000 ] - [ 0.0000267600000000, -0.0000026400000000, 0.0000035500000000 ] - [ -0.0003447800000000, -0.0003083400000000, 0.0007938700000000 ] - [ -0.0001062700000000, 0.0000031500000000, 0.0001077900000000 ] - [ -0.0000116900000000, -0.0000219100000000, 0.0003488500000000 ] - [ 0.0000564800000000, 0.0000011700000000, 0.0000717600000000 ] - [ -0.0004926600000000, -0.0001162400000000, -0.0000183400000000 ] - [ 0.0003872100000000, -0.0001243000000000, 0.0000873200000000 ] - [ -0.0000519900000000, 0.0000357200000000, 0.0000121000000000 ] - [ -0.0000026400000000, -0.0000267600000000, 0.0000035500000000 ] - [ 0.0003083400000000, -0.0003447800000000, 0.0007938700000000 ] - [ 0.0000219100000000, -0.0000116900000000, 0.0003488500000000 ] - [ -0.0000031500000000, -0.0001062700000000, 0.0001077900000000 ] - [ -0.0000011700000000, 0.0000564800000000, 0.0000717600000000 ] - [ 0.0004926600000000, 0.0001162400000000, -0.0000183400000000 ] - [ -0.0003872100000000, 0.0001243000000000, 0.0000873200000000 ] - [ 0.0000519900000000, -0.0000357200000000, 0.0000121000000000 ] - [ 0.0000026400000000, 0.0000267600000000, 0.0000035500000000 ] - [ -0.0003083400000000, 0.0003447800000000, 0.0007938700000000 ] - [ -0.0000219100000000, 0.0000116900000000, 0.0003488500000000 ] - [ 0.0000031500000000, 0.0001062700000000, 0.0001077900000000 ] - [ 0.0000011700000000, -0.0000564800000000, 0.0000717600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0048754600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002298800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002298800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000475900000000 ] - [ -0.0002951400000000, -0.0003932100000000, 0.0002210200000000 ] - [ 0.0003932100000000, -0.0002951400000000, 0.0002210200000000 ] - [ -0.0003932100000000, 0.0002951400000000, 0.0002210200000000 ] - [ 0.0002951400000000, 0.0003932100000000, 0.0002210200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0269486700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001497900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001497900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000648500000000 ] - [ 0.0003599000000000, 0.0003629700000000, -0.0001294100000000 ] - [ -0.0009496400000000, -0.0000045500000000, -0.0008861600000000 ] - [ -0.0001113300000000, 0.0000055600000000, -0.0000059800000000 ] - [ -0.0001706200000000, -0.0002528200000000, 0.0000032900000000 ] - [ -0.0003629700000000, 0.0003599000000000, -0.0001294100000000 ] - [ -0.0000055600000000, -0.0001113300000000, -0.0000059800000000 ] - [ 0.0000045500000000, -0.0009496400000000, -0.0008861600000000 ] - [ 0.0002528200000000, -0.0001706200000000, 0.0000032900000000 ] - [ 0.0006047300000000, -0.0001004500000000, 0.0004626000000000 ] - [ 0.0001004500000000, 0.0006047300000000, 0.0004626000000000 ] - [ -0.0001004500000000, -0.0006047300000000, 0.0004626000000000 ] - [ -0.0006047300000000, 0.0001004500000000, 0.0004626000000000 ] - [ 0.0021871400000000, -0.0011300700000000, -0.0007548400000000 ] - [ -0.0003716600000000, 0.0002022200000000, 0.0002213100000000 ] - [ 0.0000020900000000, -0.0000002100000000, 0.0001999000000000 ] - [ -0.0001083800000000, 0.0001447400000000, -0.0000735100000000 ] - [ -0.0011300700000000, -0.0021871400000000, -0.0007548400000000 ] - [ -0.0000002100000000, -0.0000020900000000, 0.0001999000000000 ] - [ 0.0002022200000000, 0.0003716600000000, 0.0002213100000000 ] - [ 0.0001447400000000, 0.0001083800000000, -0.0000735100000000 ] - [ -0.0001815200000000, 0.0000006500000000, -0.0001890400000000 ] - [ -0.0000006500000000, -0.0001815200000000, -0.0001890400000000 ] - [ 0.0000006500000000, 0.0001815200000000, -0.0001890400000000 ] - [ 0.0001815200000000, -0.0000006500000000, -0.0001890400000000 ] - [ 0.0011300700000000, 0.0021871400000000, -0.0007548400000000 ] - [ 0.0000002100000000, 0.0000020900000000, 0.0001999000000000 ] - [ -0.0002022200000000, -0.0003716600000000, 0.0002213100000000 ] - [ -0.0001447400000000, -0.0001083800000000, -0.0000735100000000 ] - [ -0.0021871400000000, 0.0011300700000000, -0.0007548400000000 ] - [ 0.0003716600000000, -0.0002022200000000, 0.0002213100000000 ] - [ -0.0000020900000000, 0.0000002100000000, 0.0001999000000000 ] - [ 0.0001083800000000, -0.0001447400000000, -0.0000735100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0166433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004857800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004857800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000041200000000 ] - [ 0.0003629700000000, -0.0003599000000000, -0.0001294100000000 ] - [ 0.0000055600000000, 0.0001113300000000, -0.0000059800000000 ] - [ -0.0000045500000000, 0.0009496400000000, -0.0008861600000000 ] - [ -0.0002528200000000, 0.0001706200000000, 0.0000032900000000 ] - [ -0.0003599000000000, -0.0003629700000000, -0.0001294100000000 ] - [ 0.0009496400000000, 0.0000045500000000, -0.0008861600000000 ] - [ 0.0001113300000000, -0.0000055600000000, -0.0000059800000000 ] - [ 0.0001706200000000, 0.0002528200000000, 0.0000032900000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000239961, 0.0000000000000000 ] forces: - [ 0.0005283700000000, -0.0005378000000000, 0.0002767300000000 ] - [ -0.0005120000000000, 0.0001926600000000, 0.0003932500000000 ] - [ 0.0005997200000000, 0.0000163600000000, -0.0000411800000000 ] - [ -0.0002903000000000, -0.0000488200000000, -0.0001315300000000 ] - [ -0.0001383900000000, -0.0002379800000000, -0.0000478500000000 ] - [ 0.0001903700000000, 0.0004597100000000, -0.0003381600000000 ] - [ -0.0001652200000000, 0.0000996200000000, -0.0000225100000000 ] - [ 0.0001959300000000, -0.0000939400000000, -0.0000924300000000 ] - [ 0.0004399800000000, -0.0001082300000000, 0.0000000000000000 ] - [ -0.0003072700000000, 0.0000495100000000, 0.0000000000000000 ] - [ 0.0002425800000000, 0.0000554000000000, 0.0000000000000000 ] - [ -0.0002315500000000, -0.0000197600000000, 0.0000000000000000 ] - [ -0.0004055900000000, 0.0000460300000000, 0.0002030000000000 ] - [ 0.0030948600000000, 0.0006234400000000, 0.0033497500000000 ] - [ -0.0001100800000000, 0.0001385600000000, -0.0000249100000000 ] - [ 0.0001775400000000, -0.0002506300000000, -0.0002077600000000 ] - [ 0.0010177500000000, -0.0002210000000000, 0.0000684600000000 ] - [ -0.0005668000000000, -0.0001057700000000, 0.0000924300000000 ] - [ 0.0001819200000000, 0.0001461100000000, -0.0001738700000000 ] - [ -0.0002118600000000, 0.0000119800000000, 0.0001486700000000 ] - [ 0.0054250100000000, -0.0040758000000000, -0.0063238800000000 ] - [ -0.0005501000000000, -0.0001789800000000, -0.0001648300000000 ] - [ 0.0001894400000000, -0.0000540400000000, -0.0000928100000000 ] - [ -0.0001620900000000, -0.0000166600000000, 0.0001076600000000 ] - [ -0.0003694400000000, -0.0001775800000000, 0.0004810200000000 ] - [ -0.0004568900000000, -0.0004832900000000, -0.0005910800000000 ] - [ -0.0000875700000000, -0.0000105600000000, 0.0000651700000000 ] - [ 0.0000468400000000, 0.0000614600000000, 0.0000769000000000 ] - [ -0.0000152000000000, -0.0003475200000000, 0.0002149100000000 ] - [ -0.0000932600000000, 0.0002401100000000, -0.0002312400000000 ] - [ -0.0003196500000000, 0.0004607600000000, -0.0001753800000000 ] - [ -0.0002331000000000, -0.0000788500000000, -0.0005472500000000 ] - [ 0.0000900700000000, 0.0000133600000000, 0.0000345100000000 ] - [ -0.0002503300000000, 0.0002897500000000, 0.0000168100000000 ] - [ 0.0002164900000000, 0.0004186200000000, 0.0003237100000000 ] - [ -0.0001863100000000, -0.0000280800000000, 0.0000264600000000 ] - [ -0.0003694400000000, -0.0001775800000000, -0.0004810200000000 ] - [ -0.0004568900000000, -0.0004832900000000, 0.0005910800000000 ] - [ -0.0000875700000000, -0.0000105600000000, -0.0000651700000000 ] - [ 0.0000468400000000, 0.0000614600000000, -0.0000769000000000 ] - [ 0.0054250100000000, -0.0040758000000000, 0.0063238800000000 ] - [ -0.0005501000000000, -0.0001789800000000, 0.0001648300000000 ] - [ 0.0001894400000000, -0.0000540400000000, 0.0000928100000000 ] - [ -0.0001620900000000, -0.0000166600000000, -0.0001076600000000 ] - [ 0.0028837300000000, 0.0017014500000000, 0.0000000000000000 ] - [ -0.0003700800000000, 0.0004337600000000, 0.0000000000000000 ] - [ 0.0001419600000000, 0.0001441700000000, 0.0000000000000000 ] - [ -0.0003838400000000, -0.0001683900000000, 0.0000000000000000 ] - [ 0.0000900700000000, 0.0000133600000000, -0.0000345100000000 ] - [ -0.0002503300000000, 0.0002897500000000, -0.0000168100000000 ] - [ 0.0002164900000000, 0.0004186200000000, -0.0003237100000000 ] - [ -0.0001863100000000, -0.0000280800000000, -0.0000264600000000 ] - [ -0.0000152000000000, -0.0003475200000000, -0.0002149100000000 ] - [ -0.0000932600000000, 0.0002401100000000, 0.0002312400000000 ] - [ -0.0003196500000000, 0.0004607600000000, 0.0001753800000000 ] - [ -0.0002331000000000, -0.0000788500000000, 0.0005472500000000 ] - [ -0.0001383900000000, -0.0002379800000000, 0.0000478500000000 ] - [ 0.0001903700000000, 0.0004597100000000, 0.0003381600000000 ] - [ -0.0001652200000000, 0.0000996200000000, 0.0000225100000000 ] - [ 0.0001959300000000, -0.0000939400000000, 0.0000924300000000 ] - [ 0.0005283700000000, -0.0005378000000000, -0.0002767300000000 ] - [ -0.0005120000000000, 0.0001926600000000, -0.0003932500000000 ] - [ 0.0005997200000000, 0.0000163600000000, 0.0000411800000000 ] - [ -0.0002903000000000, -0.0000488200000000, 0.0001315300000000 ] - [ 0.0010177500000000, -0.0002210000000000, -0.0000684600000000 ] - [ -0.0005668000000000, -0.0001057700000000, -0.0000924300000000 ] - [ 0.0001819200000000, 0.0001461100000000, 0.0001738700000000 ] - [ -0.0002118600000000, 0.0000119800000000, -0.0001486700000000 ] - [ -0.0004055900000000, 0.0000460300000000, -0.0002030000000000 ] - [ 0.0030948600000000, 0.0006234400000000, -0.0033497500000000 ] - [ -0.0001100800000000, 0.0001385600000000, 0.0000249100000000 ] - [ 0.0001775400000000, -0.0002506300000000, 0.0002077600000000 ] - [ 0.0002903200000000, -0.0004131500000000, 0.0000000000000000 ] - [ 0.0000593500000000, -0.0001834100000000, 0.0000000000000000 ] - [ -0.0001836100000000, 0.0003561700000000, 0.0000000000000000 ] - [ -0.0000473100000000, 0.0000244000000000, 0.0000000000000000 ] - [ 0.0032018600000000, 0.0009395700000000, 0.0000000000000000 ] - [ -0.0006900000000000, -0.0001573100000000, 0.0000000000000000 ] - [ 0.0007679800000000, 0.0001396700000000, 0.0000000000000000 ] - [ -0.0003826600000000, -0.0012473000000000, 0.0000000000000000 ] - [ -0.0001593100000000, 0.0000925500000000, -0.0004940400000000 ] - [ 0.0018551700000000, -0.0007823700000000, 0.0008173900000000 ] - [ -0.0000595900000000, -0.0004634300000000, -0.0000141300000000 ] - [ 0.0001384500000000, 0.0000697400000000, 0.0000461400000000 ] - [ -0.0325504200000000, 0.0039437900000000, 0.0000000000000000 ] - [ 0.0003684400000000, 0.0001505600000000, 0.0000000000000000 ] - [ -0.0003779000000000, 0.0000779400000000, 0.0000000000000000 ] - [ 0.0005233000000000, 0.0008111500000000, 0.0000000000000000 ] - [ 0.0006794000000000, -0.0002561800000000, 0.0000000000000000 ] - [ 0.0023046300000000, 0.0010102000000000, 0.0000000000000000 ] - [ 0.0000002000000000, -0.0000582900000000, 0.0000000000000000 ] - [ -0.0002599200000000, -0.0003937800000000, 0.0000000000000000 ] - [ -0.0005917400000000, 0.0003784000000000, 0.0012505200000000 ] - [ 0.0006381300000000, -0.0000381200000000, 0.0001258700000000 ] - [ -0.0004355000000000, 0.0004747200000000, -0.0000770100000000 ] - [ 0.0002329900000000, -0.0000362400000000, -0.0000184600000000 ] - [ 0.0010338700000000, 0.0011478100000000, 0.0000000000000000 ] - [ -0.0004319900000000, 0.0000952300000000, 0.0000000000000000 ] - [ 0.0002296000000000, 0.0000347500000000, 0.0000000000000000 ] - [ -0.0001540800000000, 0.0000569100000000, 0.0000000000000000 ] - [ -0.0004415100000000, 0.0000771000000000, 0.0000000000000000 ] - [ 0.0006664500000000, -0.0000354800000000, 0.0000000000000000 ] - [ 0.0000418000000000, -0.0000368800000000, 0.0000000000000000 ] - [ 0.0005627200000000, -0.0002432700000000, 0.0000000000000000 ] - [ -0.0005917400000000, 0.0003784000000000, -0.0012505200000000 ] - [ 0.0006381300000000, -0.0000381200000000, -0.0001258700000000 ] - [ -0.0004355000000000, 0.0004747200000000, 0.0000770100000000 ] - [ 0.0002329900000000, -0.0000362400000000, 0.0000184600000000 ] - [ -0.0000983600000000, 0.0001917100000000, 0.0000000000000000 ] - [ 0.0003910200000000, -0.0002429900000000, 0.0000000000000000 ] - [ 0.0003893500000000, -0.0005273500000000, 0.0000000000000000 ] - [ -0.0000949500000000, 0.0003829900000000, 0.0000000000000000 ] - [ -0.0004875200000000, -0.0000951300000000, 0.0000000000000000 ] - [ 0.0003895800000000, -0.0000548900000000, 0.0000000000000000 ] - [ -0.0009465300000000, -0.0011489500000000, 0.0000000000000000 ] - [ 0.0001792500000000, -0.0000356400000000, 0.0000000000000000 ] - [ -0.0001593100000000, 0.0000925500000000, 0.0004940400000000 ] - [ 0.0018551700000000, -0.0007823700000000, -0.0008173900000000 ] - [ -0.0000595900000000, -0.0004634300000000, 0.0000141300000000 ] - [ 0.0001384500000000, 0.0000697400000000, -0.0000461400000000 ] - [ -0.0005108000000000, 0.0002499000000000, 0.0000000000000000 ] - [ 0.0002390900000000, 0.0000599100000000, 0.0000000000000000 ] - [ -0.0014217100000000, -0.0010175100000000, 0.0000000000000000 ] - [ 0.0003919000000000, 0.0003936200000000, 0.0000000000000000 ] - [ 0.0028389700000000, 0.0015466900000000, 0.0000000000000000 ] - [ 0.0013392800000000, -0.0029208000000000, 0.0000000000000000 ] - [ 0.0007357200000000, -0.0004718000000000, 0.0000000000000000 ] - [ 0.0021421900000000, 0.0038291800000000, 0.0000000000000000 ]- atom: 85 displacement: [ -0.0100000000000000, -0.0000000000239961, 0.0000000000000000 ] forces: - [ -0.0005751500000000, 0.0005112800000000, -0.0003328700000000 ] - [ 0.0004606200000000, -0.0002331500000000, -0.0004402700000000 ] - [ -0.0006488900000000, -0.0000579400000000, -0.0000110700000000 ] - [ 0.0002414400000000, 0.0000084900000000, 0.0000844600000000 ] - [ 0.0001812400000000, 0.0001879100000000, 0.0000974900000000 ] - [ -0.0001522000000000, -0.0005144900000000, 0.0003888800000000 ] - [ 0.0002075600000000, -0.0001491400000000, 0.0000711600000000 ] - [ -0.0001571600000000, 0.0000454600000000, 0.0001392200000000 ] - [ -0.0004398000000000, 0.0001097100000000, 0.0000000000000000 ] - [ 0.0003080000000000, -0.0000485600000000, 0.0000000000000000 ] - [ -0.0002430300000000, -0.0000560800000000, 0.0000000000000000 ] - [ 0.0002326000000000, 0.0000189800000000, 0.0000000000000000 ] - [ 0.0004555100000000, -0.0000021700000000, -0.0002494000000000 ] - [ -0.0032089900000000, -0.0005764500000000, -0.0035667700000000 ] - [ 0.0001601500000000, -0.0000977300000000, -0.0000241000000000 ] - [ -0.0001310900000000, 0.0002912800000000, 0.0001560000000000 ] - [ -0.0010599200000000, 0.0002665100000000, -0.0000249100000000 ] - [ 0.0005272600000000, 0.0001554800000000, -0.0000437200000000 ] - [ -0.0002229700000000, -0.0000972000000000, 0.0002217100000000 ] - [ 0.0001708800000000, 0.0000381500000000, -0.0000997100000000 ] - [ -0.0052807800000000, 0.0039047300000000, 0.0061100200000000 ] - [ 0.0005932400000000, 0.0001310300000000, 0.0001179900000000 ] - [ -0.0001476200000000, 0.0000049800000000, 0.0000430700000000 ] - [ 0.0002024800000000, -0.0000334700000000, -0.0001569500000000 ] - [ 0.0003169100000000, 0.0001359900000000, -0.0004304400000000 ] - [ 0.0004132000000000, 0.0004496600000000, 0.0006478700000000 ] - [ 0.0000392400000000, -0.0000305700000000, -0.0000169200000000 ] - [ -0.0000965500000000, -0.0001030200000000, -0.0000290400000000 ] - [ -0.0000237800000000, 0.0003917000000000, -0.0002599500000000 ] - [ 0.0000490600000000, -0.0001894800000000, 0.0001791800000000 ] - [ 0.0002794000000000, -0.0004091500000000, 0.0001244100000000 ] - [ 0.0001888800000000, 0.0001319600000000, 0.0004982000000000 ] - [ -0.0000390800000000, 0.0000284600000000, 0.0000132700000000 ] - [ 0.0003007400000000, -0.0002520100000000, 0.0000315600000000 ] - [ -0.0001660900000000, -0.0003731200000000, -0.0002698500000000 ] - [ 0.0002357300000000, 0.0000695700000000, 0.0000219000000000 ] - [ 0.0003169100000000, 0.0001359900000000, 0.0004304400000000 ] - [ 0.0004132000000000, 0.0004496600000000, -0.0006478700000000 ] - [ 0.0000392400000000, -0.0000305700000000, 0.0000169200000000 ] - [ -0.0000965500000000, -0.0001030200000000, 0.0000290400000000 ] - [ -0.0052807800000000, 0.0039047300000000, -0.0061100200000000 ] - [ 0.0005932400000000, 0.0001310300000000, -0.0001179900000000 ] - [ -0.0001476200000000, 0.0000049800000000, -0.0000430700000000 ] - [ 0.0002024800000000, -0.0000334700000000, 0.0001569500000000 ] - [ -0.0027350600000000, -0.0016128600000000, 0.0000000000000000 ] - [ 0.0003702400000000, -0.0004380900000000, 0.0000000000000000 ] - [ -0.0001412200000000, -0.0001442800000000, 0.0000000000000000 ] - [ 0.0003802500000000, 0.0001718300000000, 0.0000000000000000 ] - [ -0.0000390800000000, 0.0000284600000000, -0.0000132700000000 ] - [ 0.0003007400000000, -0.0002520100000000, -0.0000315600000000 ] - [ -0.0001660900000000, -0.0003731200000000, 0.0002698500000000 ] - [ 0.0002357300000000, 0.0000695700000000, -0.0000219000000000 ] - [ -0.0000237800000000, 0.0003917000000000, 0.0002599500000000 ] - [ 0.0000490600000000, -0.0001894800000000, -0.0001791800000000 ] - [ 0.0002794000000000, -0.0004091500000000, -0.0001244100000000 ] - [ 0.0001888800000000, 0.0001319600000000, -0.0004982000000000 ] - [ 0.0001812400000000, 0.0001879100000000, -0.0000974900000000 ] - [ -0.0001522000000000, -0.0005144900000000, -0.0003888800000000 ] - [ 0.0002075600000000, -0.0001491400000000, -0.0000711600000000 ] - [ -0.0001571600000000, 0.0000454600000000, -0.0001392200000000 ] - [ -0.0005751500000000, 0.0005112800000000, 0.0003328700000000 ] - [ 0.0004606200000000, -0.0002331500000000, 0.0004402700000000 ] - [ -0.0006488900000000, -0.0000579400000000, 0.0000110700000000 ] - [ 0.0002414400000000, 0.0000084900000000, -0.0000844600000000 ] - [ -0.0010599200000000, 0.0002665100000000, 0.0000249100000000 ] - [ 0.0005272600000000, 0.0001554800000000, 0.0000437200000000 ] - [ -0.0002229700000000, -0.0000972000000000, -0.0002217100000000 ] - [ 0.0001708800000000, 0.0000381500000000, 0.0000997100000000 ] - [ 0.0004555100000000, -0.0000021700000000, 0.0002494000000000 ] - [ -0.0032089900000000, -0.0005764500000000, 0.0035667700000000 ] - [ 0.0001601500000000, -0.0000977300000000, 0.0000241000000000 ] - [ -0.0001310900000000, 0.0002912800000000, -0.0001560000000000 ] - [ -0.0002885700000000, 0.0004100800000000, 0.0000000000000000 ] - [ -0.0000613600000000, 0.0001828200000000, 0.0000000000000000 ] - [ 0.0001853200000000, -0.0003561100000000, 0.0000000000000000 ] - [ 0.0000465400000000, -0.0000221300000000, 0.0000000000000000 ] - [ -0.0032561300000000, -0.0010778600000000, 0.0000000000000000 ] - [ 0.0006885000000000, 0.0001598900000000, 0.0000000000000000 ] - [ -0.0007699000000000, -0.0001335300000000, 0.0000000000000000 ] - [ 0.0003810600000000, 0.0012326600000000, 0.0000000000000000 ] - [ 0.0001582000000000, -0.0000940600000000, 0.0003678000000000 ] - [ -0.0018630900000000, 0.0007873500000000, -0.0009446000000000 ] - [ 0.0000583400000000, 0.0004635000000000, -0.0001074500000000 ] - [ -0.0001376300000000, -0.0000702900000000, -0.0001688900000000 ] - [ 0.0324735600000000, -0.0036890900000000, 0.0000000000000000 ] - [ -0.0004971500000000, -0.0001387500000000, 0.0000000000000000 ] - [ 0.0002526100000000, -0.0000667800000000, 0.0000000000000000 ] - [ -0.0006462500000000, -0.0007946200000000, 0.0000000000000000 ] - [ -0.0006807600000000, 0.0001214600000000, 0.0000000000000000 ] - [ -0.0023619400000000, -0.0011618400000000, 0.0000000000000000 ] - [ -0.0000152800000000, -0.0000683200000000, 0.0000000000000000 ] - [ 0.0002504000000000, 0.0002714300000000, 0.0000000000000000 ] - [ 0.0005944500000000, -0.0003780500000000, -0.0011230400000000 ] - [ -0.0006384200000000, 0.0000367400000000, -0.0000029000000000 ] - [ 0.0004406000000000, -0.0004809900000000, 0.0002013800000000 ] - [ -0.0002330200000000, 0.0000364900000000, 0.0001423700000000 ] - [ -0.0010207900000000, -0.0010172000000000, 0.0000000000000000 ] - [ 0.0004472600000000, 0.0000347200000000, 0.0000000000000000 ] - [ -0.0002188900000000, 0.0000930000000000, 0.0000000000000000 ] - [ 0.0001661400000000, 0.0000724500000000, 0.0000000000000000 ] - [ 0.0005695400000000, -0.0000874700000000, 0.0000000000000000 ] - [ -0.0005400000000000, 0.0000243600000000, 0.0000000000000000 ] - [ 0.0000865900000000, 0.0000253000000000, 0.0000000000000000 ] - [ -0.0004338800000000, 0.0002315900000000, 0.0000000000000000 ] - [ 0.0005944500000000, -0.0003780500000000, 0.0011230400000000 ] - [ -0.0006384200000000, 0.0000367400000000, 0.0000029000000000 ] - [ 0.0004406000000000, -0.0004809900000000, -0.0002013800000000 ] - [ -0.0002330200000000, 0.0000364900000000, -0.0001423700000000 ] - [ -0.0000355500000000, -0.0001783800000000, 0.0000000000000000 ] - [ -0.0005192400000000, 0.0002560000000000, 0.0000000000000000 ] - [ -0.0005208400000000, 0.0005390800000000, 0.0000000000000000 ] - [ -0.0000321000000000, -0.0003755600000000, 0.0000000000000000 ] - [ 0.0004770900000000, -0.0000347900000000, 0.0000000000000000 ] - [ -0.0004036200000000, -0.0000704900000000, 0.0000000000000000 ] - [ 0.0009314300000000, 0.0010159600000000, 0.0000000000000000 ] - [ -0.0001903900000000, -0.0000939800000000, 0.0000000000000000 ] - [ 0.0001582000000000, -0.0000940600000000, -0.0003678000000000 ] - [ -0.0018630900000000, 0.0007873500000000, 0.0009446000000000 ] - [ 0.0000583400000000, 0.0004635000000000, 0.0001074500000000 ] - [ -0.0001376300000000, -0.0000702900000000, 0.0001688900000000 ] - [ 0.0005146100000000, -0.0001277100000000, 0.0000000000000000 ] - [ -0.0002239600000000, 0.0000697400000000, 0.0000000000000000 ] - [ 0.0014324800000000, 0.0011543000000000, 0.0000000000000000 ] - [ -0.0003870000000000, -0.0002717300000000, 0.0000000000000000 ] - [ -0.0026914100000000, -0.0015424900000000, 0.0000000000000000 ] - [ -0.0012089100000000, 0.0029230300000000, 0.0000000000000000 ] - [ -0.0006053600000000, 0.0004565800000000, 0.0000000000000000 ] - [ -0.0020112300000000, -0.0038347000000000, 0.0000000000000000 ]- atom: 85 displacement: [ -0.0000000000239961, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006947000000000, 0.0000517000000000, -0.0014652500000000 ] - [ -0.0000886800000000, 0.0000472500000000, 0.0001421300000000 ] - [ 0.0004238700000000, -0.0003347200000000, -0.0003675700000000 ] - [ 0.0000152100000000, -0.0001065000000000, -0.0000586300000000 ] - [ 0.0000740500000000, 0.0001051600000000, 0.0000922700000000 ] - [ 0.0003498600000000, 0.0000511400000000, 0.0003834300000000 ] - [ 0.0000652500000000, -0.0000871100000000, 0.0000725300000000 ] - [ -0.0003046900000000, -0.0002319700000000, -0.0002055300000000 ] - [ -0.0001007900000000, 0.0002265100000000, 0.0000000000000000 ] - [ 0.0000610500000000, 0.0000614500000000, 0.0000000000000000 ] - [ -0.0000058100000000, -0.0002395000000000, 0.0000000000000000 ] - [ 0.0000796600000000, -0.0001302500000000, 0.0000000000000000 ] - [ -0.0001044000000000, 0.0002737400000000, 0.0000773100000000 ] - [ 0.0004005100000000, 0.0003128000000000, -0.0001610000000000 ] - [ 0.0000154900000000, -0.0000948400000000, -0.0000356400000000 ] - [ 0.0003119800000000, -0.0009982600000000, -0.0002337900000000 ] - [ -0.0002137500000000, 0.0008861200000000, 0.0002981000000000 ] - [ 0.0001244600000000, 0.0002353400000000, 0.0000277300000000 ] - [ 0.0000115100000000, -0.0003894700000000, 0.0000175700000000 ] - [ -0.0000133300000000, -0.0001471600000000, -0.0000261800000000 ] - [ -0.0043068700000000, 0.0048263300000000, 0.0057607800000000 ] - [ -0.0000722600000000, 0.0002399300000000, -0.0001756600000000 ] - [ -0.0000881900000000, -0.0003592400000000, 0.0000822200000000 ] - [ 0.0000815700000000, -0.0002293600000000, -0.0000701800000000 ] - [ 0.0001550800000000, 0.0002984600000000, -0.0003867500000000 ] - [ -0.0000496900000000, 0.0004005500000000, 0.0000609000000000 ] - [ -0.0000214500000000, -0.0001621500000000, 0.0000781700000000 ] - [ -0.0000246300000000, -0.0003906200000000, 0.0000636400000000 ] - [ -0.0001898000000000, -0.0002734100000000, 0.0002397600000000 ] - [ 0.0002429300000000, -0.0001143300000000, 0.0003696800000000 ] - [ 0.0005137700000000, -0.0001047800000000, -0.0001018400000000 ] - [ -0.0006091300000000, 0.0005218500000000, -0.0004664900000000 ] - [ -0.0004211500000000, -0.0002173400000000, 0.0004834100000000 ] - [ 0.0001624200000000, 0.0000407500000000, -0.0000374500000000 ] - [ 0.0002729900000000, -0.0003297300000000, -0.0003184500000000 ] - [ -0.0000919500000000, 0.0000288300000000, -0.0000975800000000 ] - [ 0.0001550800000000, 0.0002984600000000, 0.0003867500000000 ] - [ -0.0000496900000000, 0.0004005500000000, -0.0000609000000000 ] - [ -0.0000214500000000, -0.0001621500000000, -0.0000781700000000 ] - [ -0.0000246300000000, -0.0003906200000000, -0.0000636400000000 ] - [ -0.0043068700000000, 0.0048263300000000, -0.0057607800000000 ] - [ -0.0000722600000000, 0.0002399300000000, 0.0001756600000000 ] - [ -0.0000881900000000, -0.0003592400000000, -0.0000822200000000 ] - [ 0.0000815700000000, -0.0002293600000000, 0.0000701800000000 ] - [ 0.0001986900000000, 0.0001256600000000, 0.0000000000000000 ] - [ 0.0000892500000000, 0.0004372600000000, 0.0000000000000000 ] - [ 0.0001267700000000, -0.0005008400000000, 0.0000000000000000 ] - [ -0.0006097700000000, -0.0005177100000000, 0.0000000000000000 ] - [ -0.0004211500000000, -0.0002173400000000, -0.0004834100000000 ] - [ 0.0001624200000000, 0.0000407500000000, 0.0000374500000000 ] - [ 0.0002729900000000, -0.0003297300000000, 0.0003184500000000 ] - [ -0.0000919500000000, 0.0000288300000000, 0.0000975800000000 ] - [ -0.0001898000000000, -0.0002734100000000, -0.0002397600000000 ] - [ 0.0002429300000000, -0.0001143300000000, -0.0003696800000000 ] - [ 0.0005137700000000, -0.0001047800000000, 0.0001018400000000 ] - [ -0.0006091300000000, 0.0005218500000000, 0.0004664900000000 ] - [ 0.0000740500000000, 0.0001051600000000, -0.0000922700000000 ] - [ 0.0003498600000000, 0.0000511400000000, -0.0003834300000000 ] - [ 0.0000652500000000, -0.0000871100000000, -0.0000725300000000 ] - [ -0.0003046900000000, -0.0002319700000000, 0.0002055300000000 ] - [ 0.0006947000000000, 0.0000517000000000, 0.0014652500000000 ] - [ -0.0000886800000000, 0.0000472500000000, -0.0001421300000000 ] - [ 0.0004238700000000, -0.0003347200000000, 0.0003675700000000 ] - [ 0.0000152100000000, -0.0001065000000000, 0.0000586300000000 ] - [ -0.0002137500000000, 0.0008861200000000, -0.0002981000000000 ] - [ 0.0001244600000000, 0.0002353400000000, -0.0000277300000000 ] - [ 0.0000115100000000, -0.0003894700000000, -0.0000175700000000 ] - [ -0.0000133300000000, -0.0001471600000000, 0.0000261800000000 ] - [ -0.0001044000000000, 0.0002737400000000, -0.0000773100000000 ] - [ 0.0004005100000000, 0.0003128000000000, 0.0001610000000000 ] - [ 0.0000154900000000, -0.0000948400000000, 0.0000356400000000 ] - [ 0.0003119800000000, -0.0009982600000000, 0.0002337900000000 ] - [ -0.0001986800000000, 0.0004652700000000, 0.0000000000000000 ] - [ -0.0000961700000000, 0.0003683500000000, 0.0000000000000000 ] - [ 0.0001073500000000, -0.0003917500000000, 0.0000000000000000 ] - [ -0.0000711900000000, -0.0003506300000000, 0.0000000000000000 ] - [ 0.0023146900000000, 0.0086420800000000, 0.0000000000000000 ] - [ -0.0000959900000000, 0.0001525700000000, 0.0000000000000000 ] - [ -0.0001532000000000, -0.0009558900000000, 0.0000000000000000 ] - [ -0.0000712100000000, -0.0010009600000000, 0.0000000000000000 ] - [ 0.0001218800000000, -0.0004005700000000, -0.0004271400000000 ] - [ -0.0003517600000000, -0.0000678100000000, -0.0000485300000000 ] - [ -0.0001165800000000, 0.0003675500000000, -0.0000629400000000 ] - [ 0.0001585800000000, 0.0003394100000000, 0.0001970400000000 ] - [ 0.0038097000000000, -0.0349836600000000, 0.0000000000000000 ] - [ 0.0000804100000000, -0.0002634900000000, 0.0000000000000000 ] - [ 0.0000073300000000, 0.0005179400000000, 0.0000000000000000 ] - [ 0.0007381800000000, 0.0006843700000000, 0.0000000000000000 ] - [ -0.0000701700000000, -0.0005773300000000, 0.0000000000000000 ] - [ 0.0015790600000000, -0.0014815700000000, 0.0000000000000000 ] - [ -0.0001171600000000, 0.0001659300000000, 0.0000000000000000 ] - [ -0.0001177500000000, 0.0003259200000000, 0.0000000000000000 ] - [ 0.0002605500000000, 0.0001915200000000, 0.0022232200000000 ] - [ -0.0001803800000000, -0.0001007300000000, 0.0000572600000000 ] - [ -0.0011374500000000, 0.0025011500000000, -0.0003183200000000 ] - [ -0.0000636900000000, 0.0001478900000000, -0.0000523100000000 ] - [ -0.0004771700000000, -0.0008769800000000, 0.0000000000000000 ] - [ 0.0000096600000000, -0.0004190100000000, 0.0000000000000000 ] - [ -0.0000827800000000, 0.0002491100000000, 0.0000000000000000 ] - [ 0.0001502600000000, 0.0004610400000000, 0.0000000000000000 ] - [ 0.0001454500000000, -0.0003336600000000, 0.0000000000000000 ] - [ 0.0000351400000000, -0.0002063600000000, 0.0000000000000000 ] - [ 0.0000334600000000, 0.0004501800000000, 0.0000000000000000 ] - [ -0.0001741000000000, 0.0006378300000000, 0.0000000000000000 ] - [ 0.0002605500000000, 0.0001915200000000, -0.0022232200000000 ] - [ -0.0001803800000000, -0.0001007300000000, -0.0000572600000000 ] - [ -0.0011374500000000, 0.0025011500000000, 0.0003183200000000 ] - [ -0.0000636900000000, 0.0001478900000000, 0.0000523100000000 ] - [ 0.0003186000000000, -0.0001194600000000, 0.0000000000000000 ] - [ -0.0005978600000000, 0.0003123200000000, 0.0000000000000000 ] - [ -0.0003146900000000, 0.0003157000000000, 0.0000000000000000 ] - [ 0.0001201300000000, -0.0001158200000000, 0.0000000000000000 ] - [ -0.0000109000000000, -0.0005070800000000, 0.0000000000000000 ] - [ -0.0001502100000000, -0.0002251000000000, 0.0000000000000000 ] - [ 0.0004789900000000, 0.0009666800000000, 0.0000000000000000 ] - [ 0.0000826000000000, 0.0001603800000000, 0.0000000000000000 ] - [ 0.0001218800000000, -0.0004005700000000, 0.0004271400000000 ] - [ -0.0003517600000000, -0.0000678100000000, 0.0000485300000000 ] - [ -0.0001165800000000, 0.0003675500000000, 0.0000629400000000 ] - [ 0.0001585800000000, 0.0003394100000000, -0.0001970400000000 ] - [ 0.0000688400000000, 0.0007515400000000, 0.0000000000000000 ] - [ 0.0001191400000000, 0.0000700500000000, 0.0000000000000000 ] - [ -0.0015711400000000, 0.0023778100000000, 0.0000000000000000 ] - [ 0.0001181000000000, -0.0001888900000000, 0.0000000000000000 ] - [ 0.0016077100000000, 0.0011765300000000, 0.0000000000000000 ] - [ -0.0028797000000000, 0.0033068200000000, 0.0000000000000000 ] - [ -0.0003992700000000, 0.0003134100000000, 0.0000000000000000 ] - [ 0.0038718100000000, 0.0072084900000000, 0.0000000000000000 ]- atom: 85 displacement: [ 0.0000000000239961, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007304900000000, -0.0000119200000000, 0.0013360200000000 ] - [ 0.0000388400000000, -0.0000868900000000, -0.0001906300000000 ] - [ -0.0004764100000000, 0.0002945300000000, 0.0003245100000000 ] - [ -0.0000635200000000, 0.0000641400000000, 0.0000099100000000 ] - [ -0.0000343300000000, -0.0001524600000000, -0.0000437700000000 ] - [ -0.0003027200000000, -0.0000960000000000, -0.0003340400000000 ] - [ -0.0000233400000000, 0.0000363600000000, -0.0000238200000000 ] - [ 0.0003457200000000, 0.0001799300000000, 0.0002549400000000 ] - [ 0.0001002700000000, -0.0002281900000000, 0.0000000000000000 ] - [ -0.0000607400000000, -0.0000627100000000, 0.0000000000000000 ] - [ 0.0000064600000000, 0.0002390100000000, 0.0000000000000000 ] - [ -0.0000803300000000, 0.0001304400000000, 0.0000000000000000 ] - [ 0.0001529000000000, -0.0002309400000000, -0.0001263000000000 ] - [ -0.0003628600000000, -0.0002675500000000, 0.0001086100000000 ] - [ 0.0000338600000000, 0.0001344100000000, -0.0000121800000000 ] - [ -0.0002649700000000, 0.0010439000000000, 0.0001907600000000 ] - [ 0.0001743200000000, -0.0008318300000000, -0.0002554300000000 ] - [ -0.0001657400000000, -0.0001851900000000, 0.0000218400000000 ] - [ -0.0000533400000000, 0.0004376300000000, 0.0000318900000000 ] - [ -0.0000277900000000, 0.0001960100000000, 0.0000749600000000 ] - [ 0.0044536900000000, -0.0049292200000000, -0.0059293200000000 ] - [ 0.0001118200000000, -0.0002894600000000, 0.0001260100000000 ] - [ 0.0001281100000000, 0.0003076000000000, -0.0001294800000000 ] - [ -0.0000396000000000, 0.0001801700000000, 0.0000217100000000 ] - [ -0.0002051800000000, -0.0003378000000000, 0.0004361000000000 ] - [ -0.0000017200000000, -0.0004439600000000, -0.0000138700000000 ] - [ -0.0000288100000000, 0.0001206900000000, -0.0000290200000000 ] - [ -0.0000221800000000, 0.0003488900000000, -0.0000118200000000 ] - [ 0.0001475700000000, 0.0003234500000000, -0.0002883400000000 ] - [ -0.0002833700000000, 0.0001667400000000, -0.0004143100000000 ] - [ -0.0005550800000000, 0.0001520000000000, 0.0000546600000000 ] - [ 0.0005736200000000, -0.0004783900000000, 0.0004217000000000 ] - [ 0.0004633100000000, 0.0002547200000000, -0.0004257600000000 ] - [ -0.0001123700000000, 0.0000026100000000, 0.0000859300000000 ] - [ -0.0002242300000000, 0.0003683300000000, 0.0003657400000000 ] - [ 0.0001417800000000, 0.0000110200000000, 0.0001460700000000 ] - [ -0.0002051800000000, -0.0003378000000000, -0.0004361000000000 ] - [ -0.0000017200000000, -0.0004439600000000, 0.0000138700000000 ] - [ -0.0000288100000000, 0.0001206900000000, 0.0000290200000000 ] - [ -0.0000221800000000, 0.0003488900000000, 0.0000118200000000 ] - [ 0.0044536900000000, -0.0049292200000000, 0.0059293200000000 ] - [ 0.0001118200000000, -0.0002894600000000, -0.0001260100000000 ] - [ 0.0001281100000000, 0.0003076000000000, 0.0001294800000000 ] - [ -0.0000396000000000, 0.0001801700000000, -0.0000217100000000 ] - [ -0.0001608200000000, -0.0001164400000000, 0.0000000000000000 ] - [ -0.0000914700000000, -0.0004333700000000, 0.0000000000000000 ] - [ -0.0001296700000000, 0.0005033100000000, 0.0000000000000000 ] - [ 0.0006211100000000, 0.0005178000000000, 0.0000000000000000 ] - [ 0.0004633100000000, 0.0002547200000000, 0.0004257600000000 ] - [ -0.0001123700000000, 0.0000026100000000, -0.0000859300000000 ] - [ -0.0002242300000000, 0.0003683300000000, -0.0003657400000000 ] - [ 0.0001417800000000, 0.0000110200000000, -0.0001460700000000 ] - [ 0.0001475700000000, 0.0003234500000000, 0.0002883400000000 ] - [ -0.0002833700000000, 0.0001667400000000, 0.0004143100000000 ] - [ -0.0005550800000000, 0.0001520000000000, -0.0000546600000000 ] - [ 0.0005736200000000, -0.0004783900000000, -0.0004217000000000 ] - [ -0.0000343300000000, -0.0001524600000000, 0.0000437700000000 ] - [ -0.0003027200000000, -0.0000960000000000, 0.0003340400000000 ] - [ -0.0000233400000000, 0.0000363600000000, 0.0000238200000000 ] - [ 0.0003457200000000, 0.0001799300000000, -0.0002549400000000 ] - [ -0.0007304900000000, -0.0000119200000000, -0.0013360200000000 ] - [ 0.0000388400000000, -0.0000868900000000, 0.0001906300000000 ] - [ -0.0004764100000000, 0.0002945300000000, -0.0003245100000000 ] - [ -0.0000635200000000, 0.0000641400000000, -0.0000099100000000 ] - [ 0.0001743200000000, -0.0008318300000000, 0.0002554300000000 ] - [ -0.0001657400000000, -0.0001851900000000, -0.0000218400000000 ] - [ -0.0000533400000000, 0.0004376300000000, -0.0000318900000000 ] - [ -0.0000277900000000, 0.0001960100000000, -0.0000749600000000 ] - [ 0.0001529000000000, -0.0002309400000000, 0.0001263000000000 ] - [ -0.0003628600000000, -0.0002675500000000, -0.0001086100000000 ] - [ 0.0000338600000000, 0.0001344100000000, 0.0000121800000000 ] - [ -0.0002649700000000, 0.0010439000000000, -0.0001907600000000 ] - [ 0.0001971900000000, -0.0004598200000000, 0.0000000000000000 ] - [ 0.0000982100000000, -0.0003669900000000, 0.0000000000000000 ] - [ -0.0001089800000000, 0.0003884100000000, 0.0000000000000000 ] - [ 0.0000723200000000, 0.0003490200000000, 0.0000000000000000 ] - [ -0.0026118700000000, -0.0092979300000000, 0.0000000000000000 ] - [ 0.0000986200000000, -0.0001560600000000, 0.0000000000000000 ] - [ 0.0001556000000000, 0.0009605200000000, 0.0000000000000000 ] - [ 0.0000674200000000, 0.0010035400000000, 0.0000000000000000 ] - [ -0.0001188000000000, 0.0004006300000000, 0.0003026700000000 ] - [ 0.0003592200000000, 0.0000612100000000, -0.0000701500000000 ] - [ 0.0001164800000000, -0.0003643100000000, -0.0000620400000000 ] - [ -0.0001594100000000, -0.0003378200000000, -0.0003221100000000 ] - [ -0.0038222600000000, 0.0356198700000000, 0.0000000000000000 ] - [ -0.0002088900000000, 0.0002732600000000, 0.0000000000000000 ] - [ -0.0001373500000000, -0.0005094300000000, 0.0000000000000000 ] - [ -0.0008675400000000, -0.0006743600000000, 0.0000000000000000 ] - [ 0.0000518800000000, 0.0004481900000000, 0.0000000000000000 ] - [ -0.0015912600000000, 0.0013727000000000, 0.0000000000000000 ] - [ 0.0001091500000000, -0.0002971600000000, 0.0000000000000000 ] - [ 0.0001065200000000, -0.0004528900000000, 0.0000000000000000 ] - [ -0.0002592400000000, -0.0001900400000000, -0.0021103800000000 ] - [ 0.0001771200000000, 0.0001013900000000, 0.0000666000000000 ] - [ 0.0011320400000000, -0.0024878000000000, 0.0004411200000000 ] - [ 0.0000642800000000, -0.0001483500000000, 0.0001754900000000 ] - [ 0.0004882700000000, 0.0010010600000000, 0.0000000000000000 ] - [ 0.0000011000000000, 0.0005458600000000, 0.0000000000000000 ] - [ 0.0000948500000000, -0.0001203400000000, 0.0000000000000000 ] - [ -0.0001386900000000, -0.0003318800000000, 0.0000000000000000 ] - [ -0.0000190400000000, 0.0003215500000000, 0.0000000000000000 ] - [ 0.0000950000000000, 0.0001947100000000, 0.0000000000000000 ] - [ 0.0000958300000000, -0.0004575400000000, 0.0000000000000000 ] - [ 0.0003008100000000, -0.0006469400000000, 0.0000000000000000 ] - [ -0.0002592400000000, -0.0001900400000000, 0.0021103800000000 ] - [ 0.0001771200000000, 0.0001013900000000, -0.0000666000000000 ] - [ 0.0011320400000000, -0.0024878000000000, -0.0004411200000000 ] - [ 0.0000642800000000, -0.0001483500000000, -0.0001754900000000 ] - [ -0.0004399200000000, 0.0001268000000000, 0.0000000000000000 ] - [ 0.0004685000000000, -0.0003029700000000, 0.0000000000000000 ] - [ 0.0001843800000000, -0.0002996300000000, 0.0000000000000000 ] - [ -0.0002499900000000, 0.0001302700000000, 0.0000000000000000 ] - [ -0.0000024100000000, 0.0003722400000000, 0.0000000000000000 ] - [ 0.0001387100000000, 0.0000951100000000, 0.0000000000000000 ] - [ -0.0004865400000000, -0.0010878200000000, 0.0000000000000000 ] - [ -0.0000950400000000, -0.0002879800000000, 0.0000000000000000 ] - [ -0.0001188000000000, 0.0004006300000000, -0.0003026700000000 ] - [ 0.0003592200000000, 0.0000612100000000, 0.0000701500000000 ] - [ 0.0001164800000000, -0.0003643100000000, 0.0000620400000000 ] - [ -0.0001594100000000, -0.0003378200000000, 0.0003221100000000 ] - [ -0.0000532900000000, -0.0006084800000000, 0.0000000000000000 ] - [ -0.0001072300000000, 0.0000548100000000, 0.0000000000000000 ] - [ 0.0015992400000000, -0.0022887000000000, 0.0000000000000000 ] - [ -0.0001062700000000, 0.0003216100000000, 0.0000000000000000 ] - [ -0.0014813600000000, -0.0011857700000000, 0.0000000000000000 ] - [ 0.0029643100000000, -0.0032936500000000, 0.0000000000000000 ] - [ 0.0005291800000000, -0.0003212400000000, 0.0000000000000000 ] - [ -0.0037922600000000, -0.0073146600000000, 0.0000000000000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002663600000000, -0.0007961700000000, 0.0017080100000000 ] - [ -0.0001350800000000, 0.0000826800000000, -0.0000117900000000 ] - [ 0.0001255100000000, -0.0000359200000000, 0.0001394400000000 ] - [ -0.0000893200000000, -0.0000668100000000, -0.0000502700000000 ] - [ 0.0000182600000000, -0.0001009800000000, -0.0000649700000000 ] - [ -0.0001630700000000, 0.0003833200000000, -0.0005044300000000 ] - [ 0.0000043200000000, 0.0000017900000000, 0.0000224800000000 ] - [ -0.0001090600000000, -0.0001772000000000, -0.0002293900000000 ] - [ -0.0000001500000000, -0.0000005300000000, -0.0005249100000000 ] - [ -0.0000003000000000, 0.0000004700000000, -0.0000979600000000 ] - [ 0.0000000400000000, -0.0000005200000000, -0.0000854600000000 ] - [ -0.0000003200000000, -0.0000000800000000, 0.0000257700000000 ] - [ 0.0000947800000000, 0.0000233200000000, 0.0001212700000000 ] - [ 0.0022296600000000, 0.0003838700000000, 0.0035370800000000 ] - [ 0.0000736900000000, 0.0000596900000000, -0.0000161200000000 ] - [ -0.0001423000000000, 0.0002503000000000, -0.0000229800000000 ] - [ 0.0000884600000000, 0.0001762800000000, -0.0011341400000000 ] - [ -0.0002850500000000, -0.0000848000000000, -0.0001211700000000 ] - [ 0.0000091700000000, 0.0001124600000000, -0.0000987700000000 ] - [ -0.0000282500000000, 0.0000178500000000, -0.0000071200000000 ] - [ -0.0049322200000000, 0.0044752600000000, 0.0070235000000000 ] - [ -0.0000513200000000, -0.0000320500000000, 0.0000459700000000 ] - [ -0.0000265500000000, -0.0000117900000000, 0.0000524600000000 ] - [ -0.0000009300000000, -0.0000399300000000, -0.0000060800000000 ] - [ 0.0002882800000000, 0.0003314600000000, -0.0009238200000000 ] - [ -0.0004839500000000, -0.0003213100000000, -0.0006021800000000 ] - [ 0.0000356600000000, -0.0000475600000000, 0.0000058100000000 ] - [ -0.0000707300000000, 0.0000597200000000, -0.0000373800000000 ] - [ -0.0000111000000000, 0.0000915900000000, -0.0000045900000000 ] - [ 0.0000164300000000, 0.0001756900000000, 0.0001386700000000 ] - [ 0.0006129300000000, -0.0005127600000000, 0.0003340100000000 ] - [ -0.0002440300000000, 0.0000618700000000, 0.0002126600000000 ] - [ 0.0001106300000000, 0.0001447700000000, -0.0002383600000000 ] - [ -0.0000555000000000, 0.0002049500000000, -0.0001016900000000 ] - [ 0.0001636100000000, -0.0006432200000000, -0.0007985000000000 ] - [ 0.0000030600000000, -0.0000411700000000, 0.0000148500000000 ] - [ -0.0003436700000000, -0.0003714300000000, -0.0009807300000000 ] - [ 0.0004371500000000, 0.0002846900000000, -0.0006553900000000 ] - [ -0.0000852900000000, 0.0000065400000000, -0.0000427400000000 ] - [ 0.0000207000000000, -0.0001003100000000, -0.0000856500000000 ] - [ 0.0051607300000000, -0.0046834000000000, 0.0072419300000000 ] - [ 0.0000898800000000, -0.0000162800000000, 0.0000963300000000 ] - [ 0.0000676000000000, -0.0000365200000000, 0.0001028600000000 ] - [ 0.0000419200000000, -0.0000095600000000, 0.0000424700000000 ] - [ -0.0000045900000000, -0.0000008500000000, -0.0003558000000000 ] - [ 0.0000000400000000, -0.0000009400000000, 0.0003714300000000 ] - [ -0.0000004900000000, -0.0000004100000000, -0.0000008300000000 ] - [ -0.0000004300000000, -0.0000006200000000, -0.0000008000000000 ] - [ -0.0000618400000000, -0.0001064100000000, -0.0002880400000000 ] - [ 0.0001053100000000, -0.0001653300000000, -0.0001504500000000 ] - [ -0.0001125500000000, 0.0006900000000000, -0.0008547900000000 ] - [ 0.0000452300000000, 0.0000833500000000, -0.0000345800000000 ] - [ -0.0000288900000000, -0.0000431400000000, 0.0000454100000000 ] - [ -0.0000595600000000, -0.0001253200000000, 0.0001901100000000 ] - [ -0.0006587900000000, 0.0005679800000000, 0.0003873100000000 ] - [ 0.0001998900000000, -0.0000106200000000, 0.0002646200000000 ] - [ 0.0000222700000000, 0.0000503800000000, -0.0001133600000000 ] - [ 0.0002063500000000, -0.0004392500000000, -0.0005546700000000 ] - [ 0.0000363700000000, -0.0000501000000000, -0.0000271300000000 ] - [ 0.0001526300000000, 0.0001294600000000, -0.0002785800000000 ] - [ 0.0002230600000000, 0.0008162500000000, 0.0017940800000000 ] - [ 0.0000863900000000, -0.0001250300000000, 0.0000381700000000 ] - [ -0.0001713700000000, -0.0000058300000000, 0.0001916100000000 ] - [ 0.0000371900000000, 0.0000266500000000, -0.0000016300000000 ] - [ -0.0001317900000000, -0.0001236700000000, -0.0011789500000000 ] - [ 0.0002426900000000, 0.0001345400000000, -0.0001693000000000 ] - [ -0.0000501200000000, -0.0000613200000000, -0.0001465100000000 ] - [ -0.0000133900000000, 0.0000315800000000, -0.0000553200000000 ] - [ -0.0000452100000000, 0.0000160000000000, 0.0001709400000000 ] - [ -0.0023090600000000, -0.0003358000000000, 0.0036729000000000 ] - [ -0.0000247400000000, -0.0000173600000000, 0.0000330400000000 ] - [ 0.0001927600000000, -0.0002138000000000, 0.0000298100000000 ] - [ 0.0000001300000000, -0.0000012300000000, -0.0004385100000000 ] - [ 0.0000002700000000, -0.0000004400000000, -0.0009788400000000 ] - [ 0.0000000600000000, -0.0000001000000000, -0.0000823200000000 ] - [ 0.0000003800000000, 0.0000001900000000, 0.0000484700000000 ] - [ -0.0000044000000000, -0.0000110600000000, 0.0029395300000000 ] - [ -0.0000013700000000, 0.0000011600000000, 0.0001345300000000 ] - [ 0.0000007200000000, 0.0000022800000000, 0.0004449600000000 ] - [ 0.0000006100000000, 0.0000000700000000, -0.0000774200000000 ] - [ -0.0002083200000000, -0.0003708400000000, 0.0000663400000000 ] - [ 0.0016728600000000, -0.0007523300000000, 0.0008190100000000 ] - [ -0.0000268000000000, 0.0003750900000000, -0.0000558800000000 ] - [ 0.0000707600000000, 0.0000619600000000, -0.0000654300000000 ] - [ -0.0001168600000000, 0.0001096000000000, -0.0270409400000000 ] - [ -0.0000636900000000, 0.0000056000000000, -0.0000741400000000 ] - [ -0.0000650500000000, 0.0000040900000000, -0.0002123900000000 ] - [ -0.0000624700000000, 0.0000049700000000, 0.0000525000000000 ] - [ -0.0000040200000000, -0.0000634800000000, -0.0004186200000000 ] - [ 0.0000002500000000, -0.0000636600000000, -0.0007594800000000 ] - [ -0.0000059100000000, -0.0000640600000000, 0.0000173800000000 ] - [ -0.0000064900000000, -0.0000653600000000, -0.0001387300000000 ] - [ 0.0007799000000000, 0.0018249100000000, 0.0008140900000000 ] - [ -0.0002840100000000, -0.0001270700000000, -0.0001372200000000 ] - [ 0.0003641400000000, -0.0010482100000000, -0.0001601700000000 ] - [ 0.0000604000000000, 0.0000479000000000, 0.0001361600000000 ] - [ 0.0000082900000000, 0.0000683000000000, 0.0019780200000000 ] - [ 0.0000019200000000, 0.0000643700000000, 0.0007184400000000 ] - [ 0.0000048800000000, 0.0000645800000000, -0.0000366900000000 ] - [ 0.0000050700000000, 0.0000631800000000, 0.0001018900000000 ] - [ 0.0000660800000000, -0.0000070100000000, 0.0009132500000000 ] - [ 0.0000652900000000, -0.0000058100000000, 0.0002382300000000 ] - [ 0.0000643000000000, -0.0000060800000000, 0.0000660100000000 ] - [ 0.0000648300000000, -0.0000056100000000, 0.0004092800000000 ] - [ -0.0007900500000000, -0.0018488800000000, 0.0006962300000000 ] - [ 0.0002859600000000, 0.0001255400000000, -0.0002616100000000 ] - [ -0.0003652600000000, 0.0010523200000000, -0.0002878600000000 ] - [ -0.0000594000000000, -0.0000474500000000, 0.0000117100000000 ] - [ -0.0000643100000000, 0.0000065200000000, 0.0003832200000000 ] - [ -0.0000632700000000, 0.0000054500000000, 0.0007873600000000 ] - [ -0.0000653000000000, 0.0000062900000000, 0.0007874200000000 ] - [ -0.0000639400000000, 0.0000045500000000, 0.0003832100000000 ] - [ -0.0000045100000000, -0.0000612000000000, 0.0007182800000000 ] - [ -0.0000061900000000, -0.0000642800000000, 0.0001017600000000 ] - [ -0.0000104200000000, -0.0000673200000000, 0.0019778300000000 ] - [ -0.0000046100000000, -0.0000640400000000, -0.0000368800000000 ] - [ 0.0002109500000000, 0.0003721100000000, 0.0001917200000000 ] - [ -0.0016811800000000, 0.0007558100000000, 0.0009445700000000 ] - [ 0.0000271400000000, -0.0003770400000000, 0.0000678600000000 ] - [ -0.0000701600000000, -0.0000617400000000, 0.0000589700000000 ] - [ 0.0000057900000000, 0.0000599700000000, -0.0004184000000000 ] - [ 0.0000058500000000, 0.0000649100000000, 0.0000175600000000 ] - [ 0.0000034600000000, 0.0000686600000000, -0.0007593500000000 ] - [ 0.0000074200000000, 0.0000616700000000, -0.0001386300000000 ] - [ 0.0000605300000000, -0.0000073400000000, 0.0003656300000000 ] - [ 0.0000725800000000, -0.0000173900000000, -0.0008293000000000 ] - [ 0.0000686000000000, -0.0000076300000000, -0.0009034700000000 ] - [ 0.0000732700000000, 0.0000159800000000, 0.0005231900000000 ]