# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8da5f24b-e2d1-4d43-8e97-53c3d3427808/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 NaSbO3 / R-3 (148) / materials id 4482](https://mdr.nims.go.jp/datasets/71325579-8a73-4280-a1c0-4aa3a4975e38) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "R-3" number: 148 Hall_symbol: "-R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.667380026666669, 1.540012623333332, 5.341011499999995 ] # a - [ -2.667380063333330, 1.540012543333332, 5.341011499999995 ] # b - [ 0.000000036666669, -3.080025166666668, 5.341011499999995 ] # c points: - symbol: O # 1 coordinates: [ 0.040197590000000, 0.439702820000002, 0.807705970000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.807705970000000, 0.040197600000002, 0.439702810000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.439702810000000, 0.807705980000002, 0.040197590000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.959802410000000, 0.560297190000003, 0.192294030000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.560297190000000, 0.192294030000003, 0.959802410000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.192294030000000, 0.959802410000003, 0.560297190000000 ] mass: 15.999400 - symbol: Na # 7 coordinates: [ 0.361355270000000, 0.361355260000002, 0.361355270000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.638644730000000, 0.638644720000003, 0.638644730000000 ] mass: 22.989769 - symbol: Sb # 9 coordinates: [ 0.160932680000000, 0.160932690000003, 0.160932680000000 ] mass: 121.760000 - symbol: Sb # 10 coordinates: [ 0.839067320000000, 0.839067320000002, 0.839067320000000 ] mass: 121.760000 reciprocal_lattice: # without 2pi - [ 0.187449852377909, 0.108224226156971, 0.062410150836285 ] # a* - [ -0.187449855623768, 0.108224221693915, 0.062410150836285 ] # b* - [ 0.000000003245858, -0.216448447850886, 0.062410150836285 ] # c*unit_cell: lattice: - [ 5.334760090000000, 0.000000080000000, 0.000000000000000 ] # a - [ -2.667380100000000, 4.620037710000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.023034500000001 ] # c points: - symbol: O # 1 coordinates: [ 0.277662130000000, 0.954829490000000, 0.762535460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.045170510000000, 0.322832650000000, 0.762535460000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.677167350000000, 0.722337870000000, 0.762535460000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.055671200000000, 0.711837180000000, 0.904131210000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.656165980000000, 0.944328800000000, 0.904131210000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.288162820000000, 0.343834020000000, 0.904131210000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.944328800000000, 0.288162820000000, 0.095868790000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.711837180000000, 0.656165980000000, 0.095868790000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 9 coordinates: [ 0.343834020000000, 0.055671200000000, 0.095868790000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 10 coordinates: [ 0.722337870000000, 0.045170510000000, 0.237464540000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 11 coordinates: [ 0.322832650000000, 0.277662130000000, 0.237464540000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 12 coordinates: [ 0.954829490000000, 0.677167350000000, 0.237464540000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 13 coordinates: [ 0.610995470000000, 0.621496150000000, 0.429202130000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 14 coordinates: [ 0.378503850000000, 0.989499310000000, 0.429202130000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 15 coordinates: [ 0.010500690000000, 0.389004530000000, 0.429202130000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 16 coordinates: [ 0.389004530000000, 0.378503850000000, 0.570797870000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 17 coordinates: [ 0.989499310000000, 0.610995470000000, 0.570797870000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 18 coordinates: [ 0.621496150000000, 0.010500690000000, 0.570797870000000 ] mass: 15.999400 reduced_to: 6 - symbol: Na # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.694688600000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.971978060000000 ] mass: 22.989769 reduced_to: 20 - symbol: Na # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.028021940000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.305311400000000 ] mass: 22.989769 reduced_to: 20 - symbol: Na # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.361355270000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.638644730000000 ] mass: 22.989769 reduced_to: 20 - symbol: Sb # 25 coordinates: [ 0.333333330000000, 0.666666670000000, 0.827599350000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 26 coordinates: [ 0.000000000000000, 0.000000000000000, 0.839067320000000 ] mass: 121.760000 reduced_to: 26 - symbol: Sb # 27 coordinates: [ 0.000000000000000, 0.000000000000000, 0.160932680000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.172400650000000 ] mass: 121.760000 reduced_to: 26 - symbol: Sb # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.494266010000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.505733990000000 ] mass: 121.760000 reduced_to: 26supercell: lattice: - [ 10.669520179999999, 0.000000160000000, 0.000000000000000 ] # a - [ -5.334760200000000, 9.240075420000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.023034500000001 ] # c points: - symbol: O # 1 coordinates: [ 0.138831065000000, 0.477414745000000, 0.762535460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.638831065000000, 0.477414745000000, 0.762535460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.138831065000000, 0.977414745000000, 0.762535460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.638831065000000, 0.977414745000000, 0.762535460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.022585255000000, 0.161416325000000, 0.762535460000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.522585255000000, 0.161416325000000, 0.762535460000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.022585255000000, 0.661416325000000, 0.762535460000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.522585255000000, 0.661416325000000, 0.762535460000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.338583675000000, 0.361168935000000, 0.762535460000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.838583675000000, 0.361168935000000, 0.762535460000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.338583675000000, 0.861168935000000, 0.762535460000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.838583675000000, 0.861168935000000, 0.762535460000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.027835600000000, 0.355918590000000, 0.904131210000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.527835600000000, 0.355918590000000, 0.904131210000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.027835600000000, 0.855918590000000, 0.904131210000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.527835600000000, 0.855918590000000, 0.904131210000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.328082990000000, 0.472164400000000, 0.904131210000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.828082990000000, 0.472164400000000, 0.904131210000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.328082990000000, 0.972164400000000, 0.904131210000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.828082990000000, 0.972164400000000, 0.904131210000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.144081410000000, 0.171917010000000, 0.904131210000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.644081410000000, 0.171917010000000, 0.904131210000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.144081410000000, 0.671917010000000, 0.904131210000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.644081410000000, 0.671917010000000, 0.904131210000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.472164400000000, 0.144081410000000, 0.095868790000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 26 coordinates: [ 0.972164400000000, 0.144081410000000, 0.095868790000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 27 coordinates: [ 0.472164400000000, 0.644081410000000, 0.095868790000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 28 coordinates: [ 0.972164400000000, 0.644081410000000, 0.095868790000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 29 coordinates: [ 0.355918590000000, 0.328082990000000, 0.095868790000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 30 coordinates: [ 0.855918590000000, 0.328082990000000, 0.095868790000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 31 coordinates: [ 0.355918590000000, 0.828082990000000, 0.095868790000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 32 coordinates: [ 0.855918590000000, 0.828082990000000, 0.095868790000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 33 coordinates: [ 0.171917010000000, 0.027835600000000, 0.095868790000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 34 coordinates: [ 0.671917010000000, 0.027835600000000, 0.095868790000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 35 coordinates: [ 0.171917010000000, 0.527835600000000, 0.095868790000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 36 coordinates: [ 0.671917010000000, 0.527835600000000, 0.095868790000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 37 coordinates: [ 0.361168935000000, 0.022585255000000, 0.237464540000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 38 coordinates: [ 0.861168935000000, 0.022585255000000, 0.237464540000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 39 coordinates: [ 0.361168935000000, 0.522585255000000, 0.237464540000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 40 coordinates: [ 0.861168935000000, 0.522585255000000, 0.237464540000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 41 coordinates: [ 0.161416325000000, 0.138831065000000, 0.237464540000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 42 coordinates: [ 0.661416325000000, 0.138831065000000, 0.237464540000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 43 coordinates: [ 0.161416325000000, 0.638831065000000, 0.237464540000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 44 coordinates: [ 0.661416325000000, 0.638831065000000, 0.237464540000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 45 coordinates: [ 0.477414745000000, 0.338583675000000, 0.237464540000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 46 coordinates: [ 0.977414745000000, 0.338583675000000, 0.237464540000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 47 coordinates: [ 0.477414745000000, 0.838583675000000, 0.237464540000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 48 coordinates: [ 0.977414745000000, 0.838583675000000, 0.237464540000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 49 coordinates: [ 0.305497735000000, 0.310748075000000, 0.429202130000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.805497735000000, 0.310748075000000, 0.429202130000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 51 coordinates: [ 0.305497735000000, 0.810748075000000, 0.429202130000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 52 coordinates: [ 0.805497735000000, 0.810748075000000, 0.429202130000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 53 coordinates: [ 0.189251925000000, 0.494749655000000, 0.429202130000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 54 coordinates: [ 0.689251925000000, 0.494749655000000, 0.429202130000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 55 coordinates: [ 0.189251925000000, 0.994749655000000, 0.429202130000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 56 coordinates: [ 0.689251925000000, 0.994749655000000, 0.429202130000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 57 coordinates: [ 0.005250345000000, 0.194502265000000, 0.429202130000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 58 coordinates: [ 0.505250345000000, 0.194502265000000, 0.429202130000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 59 coordinates: [ 0.005250345000000, 0.694502265000000, 0.429202130000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 60 coordinates: [ 0.505250345000000, 0.694502265000000, 0.429202130000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 61 coordinates: [ 0.194502265000000, 0.189251925000000, 0.570797870000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.694502265000000, 0.189251925000000, 0.570797870000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 63 coordinates: [ 0.194502265000000, 0.689251925000000, 0.570797870000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 64 coordinates: [ 0.694502265000000, 0.689251925000000, 0.570797870000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 65 coordinates: [ 0.494749655000000, 0.305497735000000, 0.570797870000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 66 coordinates: [ 0.994749655000000, 0.305497735000000, 0.570797870000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 67 coordinates: [ 0.494749655000000, 0.805497735000000, 0.570797870000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 68 coordinates: [ 0.994749655000000, 0.805497735000000, 0.570797870000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 69 coordinates: [ 0.310748075000000, 0.005250345000000, 0.570797870000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 70 coordinates: [ 0.810748075000000, 0.005250345000000, 0.570797870000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 71 coordinates: [ 0.310748075000000, 0.505250345000000, 0.570797870000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 72 coordinates: [ 0.810748075000000, 0.505250345000000, 0.570797870000000 ] mass: 15.999400 reduced_to: 21 - symbol: Na # 73 coordinates: [ 0.333333335000000, 0.166666665000000, 0.694688600000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 74 coordinates: [ 0.833333335000000, 0.166666665000000, 0.694688600000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 75 coordinates: [ 0.333333335000000, 0.666666665000000, 0.694688600000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 76 coordinates: [ 0.833333335000000, 0.666666665000000, 0.694688600000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 77 coordinates: [ 0.333333335000000, 0.166666665000000, 0.971978060000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 78 coordinates: [ 0.833333335000000, 0.166666665000000, 0.971978060000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 79 coordinates: [ 0.333333335000000, 0.666666665000000, 0.971978060000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 80 coordinates: [ 0.833333335000000, 0.666666665000000, 0.971978060000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 81 coordinates: [ 0.166666665000000, 0.333333335000000, 0.028021940000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 82 coordinates: [ 0.666666665000000, 0.333333335000000, 0.028021940000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 83 coordinates: [ 0.166666665000000, 0.833333335000000, 0.028021940000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 84 coordinates: [ 0.666666665000000, 0.833333335000000, 0.028021940000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 85 coordinates: [ 0.166666665000000, 0.333333335000000, 0.305311400000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 86 coordinates: [ 0.666666665000000, 0.333333335000000, 0.305311400000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 87 coordinates: [ 0.166666665000000, 0.833333335000000, 0.305311400000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 88 coordinates: [ 0.666666665000000, 0.833333335000000, 0.305311400000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 89 coordinates: [ 0.000000000000000, 0.000000000000000, 0.361355270000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 90 coordinates: [ 0.500000000000000, 0.000000000000000, 0.361355270000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 91 coordinates: [ 0.000000000000000, 0.500000000000000, 0.361355270000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 92 coordinates: [ 0.500000000000000, 0.500000000000000, 0.361355270000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.638644730000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 94 coordinates: [ 0.500000000000000, 0.000000000000000, 0.638644730000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.638644730000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.638644730000000 ] mass: 22.989769 reduced_to: 77 - symbol: Sb # 97 coordinates: [ 0.166666665000000, 0.333333335000000, 0.827599350000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 98 coordinates: [ 0.666666665000000, 0.333333335000000, 0.827599350000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 99 coordinates: [ 0.166666665000000, 0.833333335000000, 0.827599350000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 100 coordinates: [ 0.666666665000000, 0.833333335000000, 0.827599350000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 101 coordinates: [ 0.000000000000000, 0.000000000000000, 0.839067320000000 ] mass: 121.760000 reduced_to: 101 - symbol: Sb # 102 coordinates: [ 0.500000000000000, 0.000000000000000, 0.839067320000000 ] mass: 121.760000 reduced_to: 101 - symbol: Sb # 103 coordinates: [ 0.000000000000000, 0.500000000000000, 0.839067320000000 ] mass: 121.760000 reduced_to: 101 - symbol: Sb # 104 coordinates: [ 0.500000000000000, 0.500000000000000, 0.839067320000000 ] mass: 121.760000 reduced_to: 101 - symbol: Sb # 105 coordinates: [ 0.000000000000000, 0.000000000000000, 0.160932680000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 106 coordinates: [ 0.500000000000000, 0.000000000000000, 0.160932680000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 107 coordinates: [ 0.000000000000000, 0.500000000000000, 0.160932680000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 108 coordinates: [ 0.500000000000000, 0.500000000000000, 0.160932680000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 109 coordinates: [ 0.333333335000000, 0.166666665000000, 0.172400650000000 ] mass: 121.760000 reduced_to: 101 - symbol: Sb # 110 coordinates: [ 0.833333335000000, 0.166666665000000, 0.172400650000000 ] mass: 121.760000 reduced_to: 101 - symbol: Sb # 111 coordinates: [ 0.333333335000000, 0.666666665000000, 0.172400650000000 ] mass: 121.760000 reduced_to: 101 - symbol: Sb # 112 coordinates: [ 0.833333335000000, 0.666666665000000, 0.172400650000000 ] mass: 121.760000 reduced_to: 101 - symbol: Sb # 113 coordinates: [ 0.333333335000000, 0.166666665000000, 0.494266010000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 114 coordinates: [ 0.833333335000000, 0.166666665000000, 0.494266010000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 115 coordinates: [ 0.333333335000000, 0.666666665000000, 0.494266010000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 116 coordinates: [ 0.833333335000000, 0.666666665000000, 0.494266010000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 117 coordinates: [ 0.166666665000000, 0.333333335000000, 0.505733990000000 ] mass: 121.760000 reduced_to: 101 - symbol: Sb # 118 coordinates: [ 0.666666665000000, 0.333333335000000, 0.505733990000000 ] mass: 121.760000 reduced_to: 101 - symbol: Sb # 119 coordinates: [ 0.166666665000000, 0.833333335000000, 0.505733990000000 ] mass: 121.760000 reduced_to: 101 - symbol: Sb # 120 coordinates: [ 0.666666665000000, 0.833333335000000, 0.505733990000000 ] mass: 121.760000 reduced_to: 101born_effective_charge:- # 1 (O) - [ -2.266594520000000, 0.464941930000000, 0.077596870000000 ] - [ 0.491517940000000, -1.667427540000000, 0.100238640000000 ] - [ 0.069382000000000, 0.199694060000000, -1.307937050000000 ]- # 2 (O) - [ -1.403060012528923, 0.007043944169630, -0.125607643681191 ] - [ 0.033619946643243, -2.530962047471077, 0.017081541103029 ] - [ -0.207631129172189, -0.039760456112765, -1.307937050000000 ]- # 3 (O) - [ -2.231378557594310, -0.511849882869203, 0.048010773681191 ] - [ -0.485273877753233, -1.702643502405690, -0.117320181103029 ] - [ 0.138249129172190, -0.159933603887236, -1.307937050000000 ]- # 4 (O) - [ -2.266594520000000, 0.464941930000000, 0.077596870000000 ] - [ 0.491517940000000, -1.667427540000000, 0.100238640000000 ] - [ 0.069382000000000, 0.199694060000000, -1.307937050000000 ]- # 5 (O) - [ -2.231378557594310, -0.511849882869203, 0.048010773681191 ] - [ -0.485273877753233, -1.702643502405690, -0.117320181103029 ] - [ 0.138249129172190, -0.159933603887236, -1.307937050000000 ]- # 6 (O) - [ -1.403060012528923, 0.007043944169630, -0.125607643681191 ] - [ 0.033619946643243, -2.530962047471077, 0.017081541103029 ] - [ -0.207631129172189, -0.039760456112765, -1.307937050000000 ]- # 7 (Na) - [ 1.057079390000000, 0.027601560000000, 0.000000000000000 ] - [ -0.027601560000000, 1.057079390000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.365819800000000 ]- # 8 (Na) - [ 1.057079390000000, 0.027601560000000, 0.000000000000000 ] - [ -0.027601560000000, 1.057079390000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.365819800000000 ]- # 9 (Sb) - [ 4.843953700000000, 0.012262460000000, -0.000000000000000 ] - [ -0.012262460000000, 4.843953700000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 2.557991350000000 ]- # 10 (Sb) - [ 4.843953700000000, 0.012262460000000, -0.000000000000000 ] - [ -0.012262460000000, 4.843953700000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 2.557991350000000 ]dielectric_constant: - [ 3.585629510000000, -0.000000230000000, 0.000000000000000 ] - [ 0.000000220000000, 3.585629510000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.784809970000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000001499599, 0.0000000000000000 ] forces: - [ -0.1482363600000000, 0.0423034100000000, 0.0231028000000000 ] - [ 0.0069294000000000, -0.0007179000000000, -0.0004281600000000 ] - [ 0.0019940400000000, -0.0034674900000000, 0.0000789900000000 ] - [ -0.0012286300000000, 0.0014698600000000, -0.0000320200000000 ] - [ -0.0013955300000000, -0.0063069900000000, 0.0018848200000000 ] - [ 0.0024565700000000, 0.0014480600000000, -0.0002472300000000 ] - [ 0.0087993000000000, -0.0136668600000000, -0.0029948400000000 ] - [ 0.0031068400000000, 0.0039715900000000, 0.0004721900000000 ] - [ 0.0156959400000000, -0.0035030600000000, 0.0033813800000000 ] - [ 0.0203746200000000, 0.0069560900000000, -0.0056013500000000 ] - [ -0.0023649300000000, -0.0008095800000000, 0.0002307200000000 ] - [ 0.0012062600000000, -0.0007277800000000, 0.0001742900000000 ] - [ -0.0107327500000000, 0.0058893100000000, -0.0083489500000000 ] - [ 0.0047099500000000, -0.0009521100000000, 0.0003585900000000 ] - [ 0.0021421600000000, -0.0024399000000000, -0.0005654300000000 ] - [ -0.0012368300000000, 0.0014100300000000, 0.0001217800000000 ] - [ 0.0058631100000000, -0.0006711500000000, 0.0076924100000000 ] - [ 0.0053262700000000, 0.0009192300000000, -0.0044307000000000 ] - [ -0.0002532200000000, -0.0009401300000000, -0.0000710100000000 ] - [ -0.0003047500000000, -0.0000970400000000, 0.0005378500000000 ] - [ -0.0002636000000000, -0.0041148100000000, 0.0032164900000000 ] - [ 0.0008876800000000, 0.0015838600000000, -0.0010667400000000 ] - [ -0.0014955400000000, -0.0035837500000000, -0.0035926000000000 ] - [ 0.0014780600000000, 0.0011382100000000, 0.0006409500000000 ] - [ 0.0002146500000000, -0.0001346900000000, -0.0000987900000000 ] - [ -0.0001954500000000, 0.0001524400000000, -0.0001068900000000 ] - [ -0.0001431400000000, 0.0002064000000000, 0.0005648800000000 ] - [ 0.0002086900000000, 0.0000256100000000, -0.0005055700000000 ] - [ 0.0001825100000000, -0.0003004700000000, 0.0005540500000000 ] - [ -0.0000596600000000, 0.0001037500000000, -0.0003784100000000 ] - [ -0.0002374800000000, 0.0000044700000000, -0.0002114600000000 ] - [ 0.0001399400000000, 0.0000174900000000, -0.0000192400000000 ] - [ 0.0000033400000000, -0.0002426000000000, -0.0000573600000000 ] - [ 0.0000078900000000, 0.0001203700000000, -0.0000818100000000 ] - [ -0.0004999100000000, -0.0000638900000000, -0.0001676500000000 ] - [ 0.0004196600000000, 0.0001080300000000, 0.0000742400000000 ] - [ 0.0000196100000000, -0.0000436900000000, -0.0000356800000000 ] - [ -0.0000170700000000, 0.0000164400000000, -0.0000610900000000 ] - [ -0.0001407300000000, -0.0000078500000000, 0.0001038700000000 ] - [ 0.0001098700000000, 0.0000190400000000, -0.0001445700000000 ] - [ -0.0000926100000000, -0.0001311400000000, -0.0000336100000000 ] - [ 0.0000635100000000, 0.0000657000000000, -0.0000553000000000 ] - [ -0.0000955300000000, 0.0000036800000000, -0.0000913300000000 ] - [ 0.0001314000000000, 0.0000478000000000, 0.0000301700000000 ] - [ 0.0001503400000000, -0.0000147000000000, 0.0001411300000000 ] - [ -0.0000959800000000, -0.0000050500000000, -0.0001456100000000 ] - [ -0.0000901700000000, 0.0001312100000000, -0.0000671400000000 ] - [ 0.0000520500000000, -0.0000933200000000, -0.0000344500000000 ] - [ 0.0002056200000000, -0.0001359300000000, -0.0003772900000000 ] - [ -0.0001410100000000, 0.0000814200000000, 0.0001754900000000 ] - [ -0.0001954700000000, -0.0000493800000000, 0.0001960900000000 ] - [ 0.0002133100000000, 0.0000121700000000, -0.0000534900000000 ] - [ -0.0005697400000000, 0.0000209700000000, -0.0005698400000000 ] - [ 0.0003005000000000, 0.0000515100000000, 0.0002740100000000 ] - [ 0.0000531000000000, -0.0003179500000000, -0.0000084600000000 ] - [ -0.0000403000000000, 0.0002174200000000, -0.0000507700000000 ] - [ -0.0002310600000000, -0.0000045200000000, 0.0000730900000000 ] - [ 0.0002116200000000, -0.0000579400000000, -0.0000912600000000 ] - [ -0.0000950400000000, -0.0000860600000000, 0.0001982200000000 ] - [ 0.0002319700000000, 0.0002718800000000, -0.0002588600000000 ] - [ 0.0001894900000000, -0.0004532600000000, -0.0008142200000000 ] - [ -0.0000369900000000, 0.0002363800000000, 0.0006511900000000 ] - [ -0.0010624600000000, -0.0001249600000000, 0.0007921300000000 ] - [ 0.0005993300000000, -0.0000419500000000, -0.0002025000000000 ] - [ 0.0007875400000000, -0.0000093800000000, -0.0003252300000000 ] - [ -0.0012256200000000, 0.0001278400000000, 0.0004148700000000 ] - [ -0.0000009600000000, 0.0004291400000000, -0.0003516600000000 ] - [ 0.0001470900000000, -0.0002787200000000, 0.0005748200000000 ] - [ 0.0001323400000000, -0.0003733500000000, 0.0001376500000000 ] - [ -0.0001020300000000, 0.0001358400000000, -0.0000898700000000 ] - [ -0.0003169900000000, 0.0004049000000000, -0.0025424300000000 ] - [ 0.0007467300000000, 0.0000011700000000, 0.0009180300000000 ] - [ -0.0010983100000000, 0.0017669500000000, 0.0006796000000000 ] - [ 0.0011635400000000, -0.0021066500000000, -0.0007269500000000 ] - [ 0.0058061100000000, 0.0033661300000000, -0.0023326200000000 ] - [ -0.0020265800000000, 0.0002866400000000, -0.0006650900000000 ] - [ -0.0004603900000000, 0.0008800200000000, -0.0003278500000000 ] - [ -0.0000095800000000, -0.0006832400000000, 0.0003502300000000 ] - [ 0.0016144400000000, -0.0011231600000000, -0.0007619900000000 ] - [ -0.0009837000000000, 0.0001954100000000, 0.0003299800000000 ] - [ 0.0012804600000000, 0.0005076700000000, -0.0003882200000000 ] - [ -0.0005535000000000, -0.0000822800000000, 0.0002698900000000 ] - [ -0.0001347200000000, 0.0004855800000000, 0.0008050600000000 ] - [ -0.0000048900000000, -0.0002888900000000, -0.0002517400000000 ] - [ 0.0000730300000000, 0.0000497500000000, 0.0000771200000000 ] - [ -0.0000567700000000, -0.0000150100000000, -0.0000107800000000 ] - [ 0.0000207200000000, 0.0000447400000000, 0.0000085400000000 ] - [ -0.0000205100000000, -0.0000410500000000, 0.0000311400000000 ] - [ 0.0000029800000000, 0.0000420000000000, 0.0000384200000000 ] - [ 0.0000014000000000, -0.0000253900000000, 0.0000212600000000 ] - [ 0.0001018300000000, -0.0000195700000000, 0.0000113700000000 ] - [ -0.0001149800000000, -0.0000245900000000, 0.0000639100000000 ] - [ -0.0002739000000000, 0.0006474700000000, 0.0003598900000000 ] - [ 0.0001263600000000, -0.0002726500000000, -0.0003062800000000 ] - [ 0.0019600000000000, -0.0002086700000000, -0.0017632700000000 ] - [ -0.0015052500000000, -0.0005783700000000, 0.0014742000000000 ] - [ 0.0493492500000000, -0.0246895100000000, 0.0153208400000000 ] - [ -0.0144632900000000, -0.0003601900000000, 0.0066305700000000 ] - [ 0.0023623600000000, 0.0113398400000000, 0.0028295000000000 ] - [ 0.0002305900000000, -0.0044102900000000, -0.0011830200000000 ] - [ -0.0040070400000000, 0.0057412700000000, -0.0027319500000000 ] - [ 0.0022995600000000, -0.0020414900000000, 0.0005236200000000 ] - [ 0.0602973700000000, -0.0070961200000000, -0.0295797300000000 ] - [ -0.0146723500000000, -0.0065836200000000, -0.0027141800000000 ] - [ 0.0001233600000000, 0.0000747100000000, 0.0000845700000000 ] - [ -0.0000559800000000, -0.0000030600000000, 0.0001948200000000 ] - [ 0.0002904500000000, 0.0000013900000000, 0.0005597100000000 ] - [ -0.0004357900000000, -0.0001129300000000, -0.0005541300000000 ] - [ -0.0001959600000000, 0.0005442100000000, -0.0001263700000000 ] - [ 0.0000871000000000, -0.0002591200000000, 0.0002649700000000 ] - [ 0.0007242700000000, -0.0001866000000000, -0.0000389700000000 ] - [ -0.0005981100000000, -0.0000169100000000, 0.0001724400000000 ] - [ -0.0008668300000000, 0.0006372400000000, 0.0003901800000000 ] - [ 0.0006100800000000, -0.0003497800000000, -0.0002652000000000 ] - [ 0.0014222300000000, -0.0014828500000000, 0.0007969000000000 ] - [ -0.0008624800000000, 0.0004322400000000, -0.0004996200000000 ] - [ 0.0013962800000000, 0.0011460800000000, 0.0015673600000000 ] - [ -0.0010125800000000, -0.0005171100000000, -0.0006119000000000 ] - [ 0.0003017100000000, 0.0005979200000000, -0.0006097100000000 ] - [ -0.0005267700000000, -0.0003415300000000, 0.0002371400000000 ]- atom: 1 displacement: [ -0.0100000000000000, -0.0000000001499599, 0.0000000000000000 ] forces: - [ 0.1509399800000000, -0.0414323500000000, -0.0270302900000000 ] - [ -0.0069230100000000, 0.0007568100000000, 0.0004088800000000 ] - [ -0.0019970400000000, 0.0035131500000000, -0.0000988000000000 ] - [ 0.0012490800000000, -0.0014481900000000, 0.0000129100000000 ] - [ 0.0013241100000000, 0.0063410800000000, -0.0019270000000000 ] - [ -0.0024875400000000, -0.0014877700000000, 0.0002398600000000 ] - [ -0.0089818900000000, 0.0139022200000000, 0.0029908900000000 ] - [ -0.0031063200000000, -0.0039432400000000, -0.0004787100000000 ] - [ -0.0154432100000000, 0.0033962200000000, -0.0033827400000000 ] - [ -0.0207189000000000, -0.0071543500000000, 0.0056103000000000 ] - [ 0.0023754400000000, 0.0007812700000000, -0.0002408200000000 ] - [ -0.0011894900000000, 0.0007366300000000, -0.0001834800000000 ] - [ 0.0108436500000000, -0.0058589700000000, 0.0082514300000000 ] - [ -0.0047158700000000, 0.0009274600000000, -0.0003339300000000 ] - [ -0.0021562600000000, 0.0024243800000000, 0.0005859600000000 ] - [ 0.0012235200000000, -0.0014300100000000, -0.0001086400000000 ] - [ -0.0058343200000000, 0.0006815300000000, -0.0075775700000000 ] - [ -0.0052912000000000, -0.0009060400000000, 0.0044426000000000 ] - [ 0.0002400300000000, 0.0009373400000000, 0.0000711500000000 ] - [ 0.0003029000000000, 0.0001158300000000, -0.0005366700000000 ] - [ 0.0002476400000000, 0.0041357100000000, -0.0032349200000000 ] - [ -0.0008751000000000, -0.0015960100000000, 0.0010855700000000 ] - [ 0.0015617600000000, 0.0035826900000000, 0.0036171800000000 ] - [ -0.0014671300000000, -0.0011256900000000, -0.0006350300000000 ] - [ -0.0002019300000000, 0.0001549300000000, 0.0000886400000000 ] - [ 0.0002053800000000, -0.0001268200000000, 0.0000904300000000 ] - [ 0.0001533900000000, -0.0001851200000000, -0.0005734300000000 ] - [ -0.0001943300000000, -0.0000056700000000, 0.0004948100000000 ] - [ -0.0001907500000000, 0.0002972500000000, -0.0005512900000000 ] - [ 0.0000540700000000, -0.0001057400000000, 0.0003701700000000 ] - [ 0.0002287100000000, -0.0000084300000000, 0.0002122000000000 ] - [ -0.0001483600000000, -0.0000184400000000, 0.0000200800000000 ] - [ 0.0000022800000000, 0.0002369400000000, 0.0000587000000000 ] - [ 0.0000010100000000, -0.0001235600000000, 0.0000836200000000 ] - [ 0.0005037200000000, 0.0000538500000000, 0.0001636500000000 ] - [ -0.0004119700000000, -0.0001124900000000, -0.0000711100000000 ] - [ -0.0000347900000000, 0.0000190800000000, 0.0000563900000000 ] - [ 0.0000024900000000, -0.0000380500000000, 0.0000785900000000 ] - [ 0.0001240500000000, -0.0000152800000000, -0.0000838800000000 ] - [ -0.0001235200000000, -0.0000434100000000, 0.0001637800000000 ] - [ 0.0000844700000000, 0.0001390700000000, 0.0000397300000000 ] - [ -0.0000683600000000, -0.0000559000000000, 0.0000612900000000 ] - [ 0.0000892200000000, 0.0000041200000000, 0.0000967300000000 ] - [ -0.0001383100000000, -0.0000368500000000, -0.0000214700000000 ] - [ -0.0001390500000000, 0.0000160000000000, -0.0001336000000000 ] - [ 0.0001076500000000, 0.0000057100000000, 0.0001524200000000 ] - [ 0.0001021300000000, -0.0001301400000000, 0.0000755000000000 ] - [ -0.0000404600000000, 0.0000936200000000, 0.0000424500000000 ] - [ -0.0001972400000000, 0.0001619900000000, 0.0003548100000000 ] - [ 0.0001552900000000, -0.0000553600000000, -0.0002007900000000 ] - [ 0.0002053000000000, 0.0000736400000000, -0.0002171500000000 ] - [ -0.0002031800000000, 0.0000148500000000, 0.0000288000000000 ] - [ 0.0005552700000000, -0.0000261500000000, 0.0005563500000000 ] - [ -0.0003141300000000, -0.0000553800000000, -0.0002903400000000 ] - [ -0.0000671800000000, 0.0003133600000000, -0.0000070000000000 ] - [ 0.0000275100000000, -0.0002224500000000, 0.0000363000000000 ] - [ 0.0002378600000000, -0.0000000600000000, -0.0000796800000000 ] - [ -0.0002003300000000, 0.0000495400000000, 0.0000775400000000 ] - [ 0.0001078100000000, 0.0000789400000000, -0.0002112700000000 ] - [ -0.0002222400000000, -0.0002789100000000, 0.0002470200000000 ] - [ -0.0002037400000000, 0.0004273200000000, 0.0008339700000000 ] - [ 0.0000299100000000, -0.0002651400000000, -0.0006327700000000 ] - [ 0.0010580500000000, 0.0000929200000000, -0.0007631700000000 ] - [ -0.0006109400000000, 0.0000188400000000, 0.0002217700000000 ] - [ -0.0007982500000000, 0.0000142100000000, 0.0003298300000000 ] - [ 0.0012214200000000, -0.0001130900000000, -0.0003908900000000 ] - [ -0.0000114700000000, -0.0004225000000000, 0.0003624300000000 ] - [ -0.0001563000000000, 0.0002873200000000, -0.0005669000000000 ] - [ -0.0001186100000000, 0.0003741700000000, -0.0001257600000000 ] - [ 0.0001165500000000, -0.0001289300000000, 0.0001029800000000 ] - [ 0.0003228600000000, -0.0003972500000000, 0.0025556400000000 ] - [ -0.0007340600000000, 0.0000042300000000, -0.0009109400000000 ] - [ 0.0010886400000000, -0.0017761300000000, -0.0006485400000000 ] - [ -0.0011971800000000, 0.0020875900000000, 0.0007539000000000 ] - [ -0.0057948400000000, -0.0032485800000000, 0.0022773100000000 ] - [ 0.0020179500000000, -0.0003072100000000, 0.0006960500000000 ] - [ 0.0004704700000000, -0.0008603600000000, 0.0002979800000000 ] - [ 0.0000028200000000, 0.0006830600000000, -0.0003718300000000 ] - [ -0.0015992000000000, 0.0011442000000000, 0.0007376400000000 ] - [ 0.0009900600000000, -0.0001812300000000, -0.0003608000000000 ] - [ -0.0012712300000000, -0.0005230900000000, 0.0004244100000000 ] - [ 0.0005431200000000, 0.0000656500000000, -0.0002473700000000 ] - [ 0.0001274100000000, -0.0005008200000000, -0.0007780200000000 ] - [ -0.0000029700000000, 0.0002689100000000, 0.0002766800000000 ] - [ -0.0000599500000000, -0.0000344200000000, -0.0001033200000000 ] - [ 0.0000690900000000, 0.0000305200000000, -0.0000151500000000 ] - [ -0.0000086000000000, -0.0000291400000000, -0.0000351500000000 ] - [ 0.0000333700000000, 0.0000561100000000, -0.0000578300000000 ] - [ -0.0000117700000000, -0.0000559800000000, -0.0000487800000000 ] - [ -0.0000101100000000, 0.0000123100000000, -0.0000313100000000 ] - [ -0.0001112300000000, 0.0000061900000000, -0.0000211600000000 ] - [ 0.0001068300000000, 0.0000112800000000, -0.0000737400000000 ] - [ 0.0002859500000000, -0.0006386300000000, -0.0003520600000000 ] - [ -0.0001180100000000, 0.0002899700000000, 0.0003202400000000 ] - [ -0.0020356600000000, 0.0002402600000000, 0.0016941000000000 ] - [ 0.0015117400000000, 0.0005876400000000, -0.0014524800000000 ] - [ -0.0484488300000000, 0.0230876800000000, -0.0141074100000000 ] - [ 0.0145003800000000, 0.0003608700000000, -0.0066784400000000 ] - [ -0.0023903600000000, -0.0113551200000000, -0.0028508700000000 ] - [ -0.0002421400000000, 0.0043857400000000, 0.0011894300000000 ] - [ 0.0040256800000000, -0.0057860300000000, 0.0027392400000000 ] - [ -0.0022995700000000, 0.0020694900000000, -0.0005440600000000 ] - [ -0.0637038400000000, 0.0077066300000000, 0.0324903900000000 ] - [ 0.0146438100000000, 0.0065580600000000, 0.0026606900000000 ] - [ -0.0001150300000000, -0.0000789700000000, -0.0000689000000000 ] - [ 0.0000569000000000, 0.0000036000000000, -0.0001819900000000 ] - [ -0.0002893600000000, 0.0000043000000000, -0.0005400000000000 ] - [ 0.0004413500000000, 0.0001132700000000, 0.0005644000000000 ] - [ 0.0001935500000000, -0.0005431700000000, 0.0001102000000000 ] - [ -0.0000940400000000, 0.0002543000000000, -0.0002740200000000 ] - [ -0.0007234100000000, 0.0001898000000000, 0.0000243100000000 ] - [ 0.0005904200000000, 0.0000159600000000, -0.0001884300000000 ] - [ 0.0008716600000000, -0.0006322000000000, -0.0003679100000000 ] - [ -0.0006205200000000, 0.0003473300000000, 0.0002815000000000 ] - [ -0.0014171600000000, 0.0014879400000000, -0.0007839700000000 ] - [ 0.0008635700000000, -0.0004336500000000, 0.0005234900000000 ] - [ -0.0013856500000000, -0.0011513800000000, -0.0015913600000000 ] - [ 0.0010089700000000, 0.0005169500000000, 0.0006017900000000 ] - [ -0.0003092800000000, -0.0005957000000000, 0.0005926400000000 ] - [ 0.0005284700000000, 0.0003356900000000, -0.0002548000000000 ]- atom: 1 displacement: [ -0.0050000001187475, 0.0086602539692855, 0.0000000000000000 ] forces: - [ 0.1100642800000000, -0.1183598500000000, 0.0384449000000000 ] - [ -0.0040725800000000, -0.0002428600000000, 0.0001970800000000 ] - [ -0.0040022300000000, 0.0051900300000000, -0.0002119400000000 ] - [ 0.0018862800000000, -0.0002429500000000, -0.0000250000000000 ] - [ -0.0039755800000000, 0.0155137600000000, -0.0051743100000000 ] - [ -0.0010268700000000, 0.0007977200000000, 0.0001885900000000 ] - [ -0.0152618400000000, 0.0150894800000000, 0.0031465600000000 ] - [ 0.0003604700000000, -0.0025191400000000, 0.0003603000000000 ] - [ -0.0114626800000000, -0.0004219500000000, -0.0028693000000000 ] - [ -0.0053638700000000, -0.0055217800000000, 0.0019216100000000 ] - [ 0.0020060800000000, 0.0046018100000000, 0.0006274700000000 ] - [ -0.0001752000000000, 0.0029705200000000, -0.0001755100000000 ] - [ 0.0104170700000000, -0.0041001600000000, -0.0106870000000000 ] - [ -0.0031674700000000, 0.0006319800000000, -0.0004142400000000 ] - [ -0.0031850800000000, 0.0035074700000000, 0.0005292100000000 ] - [ 0.0018371800000000, -0.0003811900000000, 0.0001428500000000 ] - [ -0.0028152000000000, -0.0028099800000000, -0.0032863100000000 ] - [ -0.0034571300000000, -0.0022702500000000, 0.0027178100000000 ] - [ 0.0002117800000000, 0.0019798300000000, 0.0006272600000000 ] - [ 0.0008913000000000, 0.0014616300000000, -0.0008330300000000 ] - [ -0.0018427800000000, 0.0050842400000000, -0.0048569400000000 ] - [ 0.0000424500000000, -0.0002577700000000, 0.0006492000000000 ] - [ -0.0030386600000000, 0.0050084900000000, 0.0082837900000000 ] - [ -0.0005947800000000, -0.0006974100000000, -0.0000642100000000 ] - [ -0.0000984700000000, 0.0001971300000000, 0.0000382900000000 ] - [ 0.0000513000000000, 0.0002255400000000, -0.0004283200000000 ] - [ 0.0001386800000000, -0.0001907500000000, -0.0003539000000000 ] - [ -0.0002230500000000, -0.0001809100000000, 0.0005039000000000 ] - [ -0.0002382600000000, 0.0001259500000000, -0.0004969200000000 ] - [ 0.0001969400000000, -0.0001558200000000, -0.0003546400000000 ] - [ 0.0002808400000000, 0.0000453400000000, 0.0003899300000000 ] - [ -0.0001758500000000, 0.0001373600000000, -0.0000225900000000 ] - [ -0.0001460000000000, 0.0002838600000000, 0.0000029600000000 ] - [ 0.0002285900000000, 0.0000997200000000, -0.0000550600000000 ] - [ 0.0002272100000000, -0.0004358300000000, -0.0000836800000000 ] - [ -0.0002696500000000, -0.0001256800000000, -0.0001034300000000 ] - [ -0.0000481800000000, 0.0000833300000000, -0.0000222100000000 ] - [ 0.0000209900000000, 0.0000950100000000, -0.0001512800000000 ] - [ 0.0000612600000000, -0.0000503500000000, -0.0001306000000000 ] - [ -0.0000382900000000, -0.0001568200000000, 0.0000784300000000 ] - [ -0.0000424900000000, 0.0001014800000000, -0.0000540600000000 ] - [ 0.0000568300000000, 0.0000387700000000, -0.0000731400000000 ] - [ 0.0000821800000000, -0.0001096900000000, -0.0000828200000000 ] - [ -0.0000602400000000, -0.0000289600000000, -0.0000860600000000 ] - [ -0.0001195500000000, 0.0000044400000000, -0.0001791100000000 ] - [ 0.0000123600000000, -0.0001022500000000, -0.0001147700000000 ] - [ 0.0001330000000000, -0.0000284100000000, 0.0000422000000000 ] - [ -0.0000723200000000, 0.0001105600000000, -0.0000438000000000 ] - [ -0.0000823700000000, -0.0000941600000000, 0.0002545600000000 ] - [ 0.0002495200000000, -0.0001242700000000, -0.0000757000000000 ] - [ 0.0002262200000000, 0.0003252900000000, -0.0007115800000000 ] - [ -0.0002244400000000, 0.0001277800000000, -0.0000489100000000 ] - [ 0.0002698400000000, -0.0004221600000000, 0.0000952000000000 ] - [ -0.0002343800000000, -0.0001299500000000, -0.0002737700000000 ] - [ -0.0001488600000000, 0.0003951700000000, -0.0001080300000000 ] - [ 0.0001413500000000, 0.0000844200000000, 0.0000547600000000 ] - [ 0.0000369500000000, 0.0000502600000000, 0.0001861300000000 ] - [ -0.0000282200000000, 0.0001173600000000, 0.0000439800000000 ] - [ -0.0001779600000000, -0.0000266500000000, -0.0003604200000000 ] - [ 0.0000122700000000, -0.0001989000000000, -0.0000814800000000 ] - [ -0.0004844700000000, 0.0002200100000000, 0.0009673100000000 ] - [ 0.0002286700000000, -0.0001645400000000, -0.0002043800000000 ] - [ 0.0004322100000000, 0.0006809200000000, -0.0021029500000000 ] - [ -0.0003340300000000, 0.0000446600000000, 0.0001330000000000 ] - [ -0.0005564500000000, 0.0000216500000000, 0.0003267400000000 ] - [ 0.0007753400000000, -0.0002271900000000, 0.0008869700000000 ] - [ 0.0006291500000000, 0.0000620900000000, -0.0002722500000000 ] - [ -0.0004489800000000, 0.0003280300000000, -0.0006200300000000 ] - [ -0.0002317900000000, 0.0007781600000000, -0.0002209200000000 ] - [ 0.0002976000000000, 0.0003470900000000, 0.0003939400000000 ] - [ 0.0004436000000000, -0.0011523400000000, 0.0009008700000000 ] - [ -0.0006325000000000, -0.0003630600000000, -0.0006790500000000 ] - [ 0.0011205100000000, -0.0015401100000000, -0.0006733700000000 ] - [ -0.0023503000000000, -0.0001318400000000, -0.0007357000000000 ] - [ 0.0000810100000000, 0.0061700700000000, -0.0021633700000000 ] - [ 0.0021673100000000, -0.0000831000000000, 0.0006573700000000 ] - [ 0.0006307900000000, -0.0007907800000000, 0.0002824500000000 ] - [ -0.0007165900000000, -0.0005651800000000, 0.0003884000000000 ] - [ -0.0016977300000000, 0.0010082500000000, -0.0007170700000000 ] - [ 0.0009611100000000, 0.0000467100000000, -0.0003705400000000 ] - [ -0.0000212300000000, -0.0001436800000000, 0.0010994600000000 ] - [ 0.0001944600000000, 0.0000391600000000, -0.0000479500000000 ] - [ 0.0003079800000000, -0.0007452200000000, -0.0011941900000000 ] - [ -0.0001444700000000, 0.0000266000000000, 0.0002047100000000 ] - [ -0.0000103800000000, 0.0000365200000000, 0.0000268100000000 ] - [ 0.0000208700000000, 0.0000401900000000, 0.0000634000000000 ] - [ 0.0000325000000000, -0.0000343000000000, 0.0001076400000000 ] - [ -0.0000052800000000, -0.0000093000000000, 0.0000591600000000 ] - [ 0.0000367900000000, -0.0000965700000000, 0.0000465300000000 ] - [ -0.0000552700000000, -0.0000830400000000, 0.0000851200000000 ] - [ -0.0000520300000000, 0.0000994800000000, 0.0001100500000000 ] - [ 0.0000459300000000, 0.0000439700000000, 0.0000515500000000 ] - [ 0.0006142800000000, -0.0011251800000000, -0.0010331100000000 ] - [ -0.0003051700000000, -0.0003568400000000, 0.0003640900000000 ] - [ -0.0003755100000000, 0.0024221400000000, 0.0021248900000000 ] - [ 0.0007050900000000, 0.0007476300000000, -0.0011137400000000 ] - [ -0.0498346400000000, 0.0648786400000000, -0.0366548800000000 ] - [ 0.0072286500000000, -0.0005484300000000, -0.0027371000000000 ] - [ 0.0014483800000000, -0.0166706100000000, -0.0032096100000000 ] - [ -0.0029101600000000, 0.0009654800000000, 0.0003752300000000 ] - [ 0.0066087800000000, -0.0116498200000000, 0.0062206000000000 ] - [ -0.0038453400000000, -0.0021296000000000, -0.0013896900000000 ] - [ -0.0324601600000000, 0.0288807900000000, 0.0095057600000000 ] - [ 0.0082762200000000, 0.0069963300000000, 0.0022855500000000 ] - [ 0.0002546700000000, -0.0004296800000000, 0.0002451800000000 ] - [ -0.0002254300000000, -0.0003333600000000, -0.0000869300000000 ] - [ -0.0002647100000000, 0.0006887700000000, 0.0000102200000000 ] - [ 0.0002800200000000, 0.0002215700000000, 0.0004893700000000 ] - [ 0.0002620100000000, -0.0004451000000000, 0.0002183500000000 ] - [ -0.0002700100000000, -0.0001057100000000, 0.0003402900000000 ] - [ -0.0004292000000000, 0.0004373500000000, 0.0000540200000000 ] - [ 0.0004839000000000, -0.0000104000000000, -0.0000598200000000 ] - [ 0.0008252800000000, -0.0008230900000000, -0.0003021500000000 ] - [ -0.0007685600000000, -0.0001510500000000, -0.0002794500000000 ] - [ -0.0016880700000000, 0.0011893000000000, 0.0007686100000000 ] - [ 0.0009226200000000, -0.0000535300000000, 0.0005740600000000 ] - [ -0.0002224700000000, 0.0005391800000000, -0.0013840600000000 ] - [ 0.0004906800000000, 0.0006984800000000, 0.0003063300000000 ] - [ 0.0005620300000000, -0.0013789900000000, 0.0011867500000000 ] - [ -0.0003002100000000, -0.0004164200000000, -0.0000413700000000 ]- atom: 1 displacement: [ 0.0050000001187475, -0.0086602539692855, 0.0000000000000000 ] forces: - [ -0.1120528700000000, 0.1220124700000000, -0.0427287300000000 ] - [ 0.0041315200000000, 0.0002622000000000, -0.0002194800000000 ] - [ 0.0040380000000000, -0.0051752600000000, 0.0001934500000000 ] - [ -0.0018794800000000, 0.0002718600000000, 0.0000064200000000 ] - [ 0.0039772100000000, -0.0158521700000000, 0.0051939000000000 ] - [ 0.0010289000000000, -0.0007817600000000, -0.0001991100000000 ] - [ 0.0149729900000000, -0.0149033200000000, -0.0031631600000000 ] - [ -0.0003868900000000, 0.0025232600000000, -0.0003705700000000 ] - [ 0.0117240900000000, 0.0004108000000000, 0.0028755000000000 ] - [ 0.0054925600000000, 0.0055110100000000, -0.0019677000000000 ] - [ -0.0019868900000000, -0.0045949000000000, -0.0006339300000000 ] - [ 0.0001647700000000, -0.0030159700000000, 0.0001675300000000 ] - [ -0.0105456900000000, 0.0042462400000000, 0.0106506400000000 ] - [ 0.0031735800000000, -0.0006554400000000, 0.0004344500000000 ] - [ 0.0031763000000000, -0.0035344900000000, -0.0005050400000000 ] - [ -0.0018526500000000, 0.0003617500000000, -0.0001304800000000 ] - [ 0.0028030600000000, 0.0028778700000000, 0.0033410300000000 ] - [ 0.0034831300000000, 0.0022685700000000, -0.0027457800000000 ] - [ -0.0002132700000000, -0.0019720300000000, -0.0006234600000000 ] - [ -0.0009134600000000, -0.0014608800000000, 0.0008503700000000 ] - [ 0.0018347600000000, -0.0050531500000000, 0.0048804800000000 ] - [ -0.0000256000000000, 0.0002724400000000, -0.0006510700000000 ] - [ 0.0030409300000000, -0.0049883600000000, -0.0081946800000000 ] - [ 0.0006028100000000, 0.0006952500000000, 0.0000647700000000 ] - [ 0.0001123400000000, -0.0001760700000000, -0.0000497600000000 ] - [ -0.0000424600000000, -0.0001994800000000, 0.0004136200000000 ] - [ -0.0001277200000000, 0.0002115500000000, 0.0003447700000000 ] - [ 0.0002364100000000, 0.0001996300000000, -0.0005153300000000 ] - [ 0.0002307500000000, -0.0001275700000000, 0.0004994100000000 ] - [ -0.0002045900000000, 0.0001539400000000, 0.0003470100000000 ] - [ -0.0002890000000000, -0.0000492600000000, -0.0003886500000000 ] - [ 0.0001674800000000, -0.0001400300000000, 0.0000246500000000 ] - [ 0.0001524000000000, -0.0002891900000000, 0.0000007800000000 ] - [ -0.0002211600000000, -0.0001027500000000, 0.0000564700000000 ] - [ -0.0002228200000000, 0.0004261600000000, 0.0000810000000000 ] - [ 0.0002777600000000, 0.0001201300000000, 0.0001047300000000 ] - [ 0.0000334400000000, -0.0001076500000000, 0.0000425000000000 ] - [ -0.0000360800000000, -0.0001170000000000, 0.0001692800000000 ] - [ -0.0000777200000000, 0.0000273100000000, 0.0001504300000000 ] - [ 0.0000240900000000, 0.0001322600000000, -0.0000590500000000 ] - [ 0.0000346800000000, -0.0000932100000000, 0.0000605000000000 ] - [ -0.0000618100000000, -0.0000290600000000, 0.0000789700000000 ] - [ -0.0000886700000000, 0.0001174200000000, 0.0000881700000000 ] - [ 0.0000534300000000, 0.0000391100000000, 0.0000940900000000 ] - [ 0.0001311100000000, -0.0000031700000000, 0.0001862200000000 ] - [ -0.0000011800000000, 0.0001030600000000, 0.0001214600000000 ] - [ -0.0001209800000000, 0.0000292100000000, -0.0000339700000000 ] - [ 0.0000838800000000, -0.0001108500000000, 0.0000520500000000 ] - [ 0.0000920600000000, 0.0001217900000000, -0.0002788700000000 ] - [ -0.0002377700000000, 0.0001505200000000, 0.0000521700000000 ] - [ -0.0002158000000000, -0.0003008400000000, 0.0006895600000000 ] - [ 0.0002347700000000, -0.0001021200000000, 0.0000243700000000 ] - [ -0.0002835400000000, 0.0004172600000000, -0.0001080200000000 ] - [ 0.0002223300000000, 0.0001259400000000, 0.0002604900000000 ] - [ 0.0001355100000000, -0.0004009000000000, 0.0000921300000000 ] - [ -0.0001557700000000, -0.0000884800000000, -0.0000701800000000 ] - [ -0.0000305100000000, -0.0000548300000000, -0.0001939000000000 ] - [ 0.0000403700000000, -0.0001247700000000, -0.0000563800000000 ] - [ 0.0001888200000000, 0.0000177000000000, 0.0003476300000000 ] - [ -0.0000025300000000, 0.0001918300000000, 0.0000701300000000 ] - [ 0.0004749100000000, -0.0002442000000000, -0.0009551700000000 ] - [ -0.0002391400000000, 0.0001390100000000, 0.0002305400000000 ] - [ -0.0004395100000000, -0.0007124800000000, 0.0021276900000000 ] - [ 0.0003235600000000, -0.0000709600000000, -0.0001134000000000 ] - [ 0.0005506200000000, -0.0000145400000000, -0.0003197300000000 ] - [ -0.0007898500000000, 0.0002433400000000, -0.0008703100000000 ] - [ -0.0006416200000000, -0.0000560100000000, 0.0002837900000000 ] - [ 0.0004398100000000, -0.0003233900000000, 0.0006267500000000 ] - [ 0.0002472800000000, -0.0007765900000000, 0.0002322900000000 ] - [ -0.0002874600000000, -0.0003414900000000, -0.0003860600000000 ] - [ -0.0004380700000000, 0.0011642900000000, -0.0008820400000000 ] - [ 0.0006487400000000, 0.0003646500000000, 0.0006942500000000 ] - [ -0.0011434400000000, 0.0015302100000000, 0.0007064500000000 ] - [ 0.0023521200000000, 0.0000965200000000, 0.0007638300000000 ] - [ 0.0000065900000000, -0.0061345200000000, 0.0021233700000000 ] - [ -0.0021818200000000, 0.0000740600000000, -0.0006292400000000 ] - [ -0.0006269700000000, 0.0008081900000000, -0.0003136900000000 ] - [ 0.0007157100000000, 0.0005640700000000, -0.0004101100000000 ] - [ 0.0017096100000000, -0.0009859100000000, 0.0006938100000000 ] - [ -0.0009555500000000, -0.0000262900000000, 0.0003416800000000 ] - [ 0.0000303300000000, 0.0001254800000000, -0.0010648600000000 ] - [ -0.0002058300000000, -0.0000565800000000, 0.0000757700000000 ] - [ -0.0003160800000000, 0.0007297000000000, 0.0012199500000000 ] - [ 0.0001379400000000, -0.0000446500000000, -0.0001807900000000 ] - [ 0.0000234100000000, -0.0000215300000000, -0.0000528700000000 ] - [ -0.0000085600000000, -0.0000249500000000, -0.0000896000000000 ] - [ -0.0000204600000000, 0.0000499300000000, -0.0001341800000000 ] - [ 0.0000181000000000, 0.0000245000000000, -0.0000859200000000 ] - [ -0.0000455500000000, 0.0000827800000000, -0.0000568300000000 ] - [ 0.0000464600000000, 0.0000695200000000, -0.0000955300000000 ] - [ 0.0000430200000000, -0.0001128600000000, -0.0001202100000000 ] - [ -0.0000545800000000, -0.0000575300000000, -0.0000615900000000 ] - [ -0.0006070100000000, 0.0011439500000000, 0.0010574900000000 ] - [ 0.0003127500000000, 0.0003691300000000, -0.0003526600000000 ] - [ 0.0003452800000000, -0.0023954800000000, -0.0021573700000000 ] - [ -0.0006987200000000, -0.0007414300000000, 0.0011323100000000 ] - [ 0.0531020000000000, -0.0685737900000000, 0.0399806400000000 ] - [ -0.0073057500000000, 0.0005441700000000, 0.0027896100000000 ] - [ -0.0014571900000000, 0.0166713300000000, 0.0031907600000000 ] - [ 0.0029394100000000, -0.0009546200000000, -0.0003661600000000 ] - [ -0.0066396600000000, 0.0117068700000000, -0.0063093700000000 ] - [ 0.0038378900000000, 0.0021061000000000, 0.0013702200000000 ] - [ 0.0312058400000000, -0.0289533500000000, -0.0084897200000000 ] - [ -0.0083130200000000, -0.0070474100000000, -0.0023367700000000 ] - [ -0.0002460800000000, 0.0004262700000000, -0.0002318800000000 ] - [ 0.0002264500000000, 0.0003327700000000, 0.0001007500000000 ] - [ 0.0002673100000000, -0.0006835300000000, 0.0000088000000000 ] - [ -0.0002759800000000, -0.0002215600000000, -0.0004776200000000 ] - [ -0.0002669400000000, 0.0004442700000000, -0.0002347500000000 ] - [ 0.0002651300000000, 0.0001006300000000, -0.0003498500000000 ] - [ 0.0004290200000000, -0.0004345100000000, -0.0000687100000000 ] - [ -0.0004909100000000, 0.0000119600000000, 0.0000445100000000 ] - [ -0.0008290800000000, 0.0008258900000000, 0.0003262400000000 ] - [ 0.0007688300000000, 0.0001465700000000, 0.0002960700000000 ] - [ 0.0016910100000000, -0.0011840000000000, -0.0007559800000000 ] - [ -0.0009227300000000, 0.0000603900000000, -0.0005534900000000 ] - [ 0.0002324800000000, -0.0005514000000000, 0.0013688500000000 ] - [ -0.0004981600000000, -0.0007017200000000, -0.0003259000000000 ] - [ -0.0005684500000000, 0.0013824100000000, -0.0012028000000000 ] - [ 0.0003032100000000, 0.0004147000000000, 0.0000248700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0256476800000000, 0.0620098200000000, -0.1499116600000000 ] - [ -0.0004121000000000, 0.0000090200000000, -0.0010641500000000 ] - [ 0.0000931900000000, -0.0001685600000000, -0.0011073900000000 ] - [ -0.0000144500000000, -0.0000198400000000, -0.0009606400000000 ] - [ -0.0005314900000000, 0.0036409000000000, -0.0050302500000000 ] - [ -0.0000132900000000, 0.0002065500000000, -0.0009343100000000 ] - [ 0.0036583400000000, -0.0043630900000000, -0.0048626200000000 ] - [ -0.0008745200000000, -0.0002329100000000, -0.0019783600000000 ] - [ -0.0051946700000000, 0.0007896100000000, -0.0050139300000000 ] - [ 0.0031972800000000, 0.0016334500000000, -0.0048798900000000 ] - [ 0.0003677700000000, -0.0007662300000000, -0.0019781000000000 ] - [ 0.0002006100000000, 0.0001690300000000, -0.0009342000000000 ] - [ -0.0084132500000000, -0.0173608800000000, 0.0256599800000000 ] - [ 0.0003389900000000, -0.0003006000000000, -0.0011111600000000 ] - [ -0.0005837500000000, 0.0002558200000000, -0.0010968400000000 ] - [ 0.0001094400000000, 0.0002132300000000, -0.0006904500000000 ] - [ 0.0082653000000000, -0.0005957500000000, -0.0004146500000000 ] - [ -0.0048774900000000, -0.0009117500000000, -0.0005413000000000 ] - [ 0.0006472100000000, 0.0008716200000000, -0.0010156600000000 ] - [ -0.0000666000000000, -0.0006989800000000, -0.0010493000000000 ] - [ 0.0017118900000000, -0.0041370400000000, -0.0005460600000000 ] - [ -0.0005533000000000, -0.0004016400000000, -0.0010171200000000 ] - [ -0.0043341400000000, 0.0063506500000000, -0.0004087500000000 ] - [ 0.0003087500000000, 0.0007970300000000, -0.0010469300000000 ] - [ -0.0000351900000000, -0.0000552600000000, 0.0003620000000000 ] - [ 0.0002140900000000, -0.0006814600000000, 0.0011184300000000 ] - [ 0.0001952000000000, 0.0000453200000000, 0.0006193400000000 ] - [ -0.0003608900000000, 0.0001076400000000, 0.0006705600000000 ] - [ 0.0003258100000000, -0.0001028500000000, 0.0006917900000000 ] - [ -0.0002723200000000, -0.0000659100000000, 0.0014407300000000 ] - [ 0.0001449100000000, 0.0003220900000000, 0.0005282400000000 ] - [ 0.0000300300000000, -0.0000797600000000, 0.0003684500000000 ] - [ 0.0000666500000000, 0.0000112500000000, 0.0004570000000000 ] - [ -0.0002651000000000, -0.0001753300000000, 0.0004815800000000 ] - [ 0.0001059700000000, 0.0005911100000000, 0.0013924200000000 ] - [ -0.0000969800000000, 0.0000556300000000, 0.0004062200000000 ] - [ -0.0000538000000000, -0.0000758900000000, 0.0005703100000000 ] - [ -0.0000776500000000, -0.0002374300000000, 0.0008402600000000 ] - [ 0.0000869200000000, -0.0001192900000000, 0.0007530500000000 ] - [ -0.0001627200000000, -0.0000207500000000, 0.0007220500000000 ] - [ 0.0000357400000000, 0.0000647300000000, 0.0006688200000000 ] - [ -0.0001863600000000, -0.0000491200000000, 0.0006520200000000 ] - [ -0.0001216400000000, 0.0002455300000000, 0.0009571200000000 ] - [ -0.0000512700000000, 0.0000772600000000, 0.0005697200000000 ] - [ 0.0001401200000000, 0.0000108100000000, 0.0006518100000000 ] - [ 0.0001857900000000, -0.0000043400000000, 0.0009584300000000 ] - [ 0.0000999000000000, 0.0000118300000000, 0.0006694300000000 ] - [ 0.0000700700000000, 0.0000668100000000, 0.0005698900000000 ] - [ -0.0004931700000000, 0.0003110800000000, 0.0006650600000000 ] - [ 0.0005724000000000, -0.0000615300000000, 0.0006135400000000 ] - [ -0.0000932200000000, -0.0005288100000000, 0.0011084000000000 ] - [ -0.0000879800000000, 0.0000091300000000, 0.0003576400000000 ] - [ 0.0002411400000000, -0.0000497700000000, 0.0013813100000000 ] - [ 0.0001319300000000, -0.0000174100000000, 0.0004744200000000 ] - [ 0.0000246700000000, 0.0000997300000000, 0.0004000200000000 ] - [ 0.0000506200000000, -0.0000360800000000, 0.0004504600000000 ] - [ -0.0003447600000000, 0.0006296400000000, 0.0014294400000000 ] - [ -0.0000185500000000, 0.0000329200000000, 0.0003640400000000 ] - [ 0.0003927900000000, 0.0000162400000000, 0.0005231400000000 ] - [ -0.0004915800000000, -0.0003527100000000, 0.0006856500000000 ] - [ -0.0008268300000000, 0.0006191100000000, 0.0002871200000000 ] - [ 0.0006335600000000, 0.0001056400000000, -0.0000287100000000 ] - [ 0.0007695300000000, -0.0020002800000000, 0.0020541300000000 ] - [ -0.0002167200000000, 0.0000063900000000, -0.0000519100000000 ] - [ -0.0002317400000000, -0.0000170700000000, -0.0000597100000000 ] - [ 0.0008824500000000, 0.0024227500000000, 0.0032462800000000 ] - [ -0.0006900800000000, -0.0006536600000000, 0.0002697300000000 ] - [ 0.0003834200000000, -0.0001096100000000, -0.0000422300000000 ] - [ 0.0000114200000000, -0.0003725700000000, -0.0000586700000000 ] - [ 0.0000596300000000, 0.0006893000000000, -0.0000413100000000 ] - [ -0.0012675600000000, -0.0002714900000000, 0.0032490500000000 ] - [ 0.0006398300000000, -0.0000434100000000, 0.0002712200000000 ] - [ 0.0001969400000000, -0.0001847000000000, 0.0006661400000000 ] - [ -0.0011883000000000, -0.0019517400000000, 0.0009077300000000 ] - [ -0.0021012500000000, -0.0032724500000000, 0.0043482900000000 ] - [ -0.0002011200000000, 0.0000781300000000, 0.0006564100000000 ] - [ -0.0002759700000000, 0.0001795000000000, -0.0001847500000000 ] - [ 0.0013486700000000, 0.0021747200000000, -0.0010076400000000 ] - [ -0.0006896600000000, -0.0011642000000000, -0.0009197900000000 ] - [ 0.0002915100000000, -0.0001183100000000, -0.0001635900000000 ] - [ -0.0015046100000000, 0.0003240500000000, -0.0019971000000000 ] - [ 0.0003388800000000, 0.0000653800000000, -0.0002503000000000 ] - [ 0.0001598800000000, -0.0005050500000000, -0.0006204700000000 ] - [ -0.0000167600000000, 0.0000143200000000, -0.0001058500000000 ] - [ 0.0000145200000000, -0.0000087100000000, -0.0008892100000000 ] - [ 0.0000079500000000, 0.0000156000000000, -0.0006965900000000 ] - [ -0.0000332600000000, -0.0000039700000000, -0.0007291200000000 ] - [ 0.0000406800000000, 0.0000397600000000, -0.0007027100000000 ] - [ 0.0000123300000000, -0.0001104000000000, -0.0007034800000000 ] - [ 0.0000128200000000, 0.0000690700000000, -0.0006856700000000 ] - [ -0.0001392900000000, 0.0000153300000000, -0.0008640300000000 ] - [ 0.0001046300000000, -0.0000066600000000, -0.0007315500000000 ] - [ 0.0000630100000000, -0.0002898900000000, 0.0006452700000000 ] - [ 0.0000024100000000, 0.0002539800000000, 0.0006138600000000 ] - [ -0.0026278300000000, 0.0006379600000000, -0.0002270000000000 ] - [ 0.0009360100000000, 0.0000337300000000, 0.0004512700000000 ] - [ 0.0240677400000000, -0.0411868100000000, 0.0631932200000000 ] - [ 0.0010749100000000, 0.0008579700000000, 0.0033382500000000 ] - [ 0.0012654600000000, -0.0019250800000000, 0.0068174700000000 ] - [ 0.0003873900000000, 0.0003273800000000, 0.0025241900000000 ] - [ 0.0004973400000000, 0.0012708100000000, 0.0037814100000000 ] - [ -0.0001001400000000, 0.0004038500000000, 0.0023941800000000 ] - [ -0.0376022600000000, -0.0030381900000000, 0.0637740800000000 ] - [ -0.0028545300000000, 0.0000945700000000, 0.0069839500000000 ] - [ -0.0003853400000000, 0.0004632600000000, -0.0012268400000000 ] - [ 0.0001930500000000, -0.0000727100000000, -0.0010366900000000 ] - [ 0.0004072200000000, -0.0005094300000000, -0.0020731600000000 ] - [ -0.0002582100000000, -0.0000315000000000, -0.0012122700000000 ] - [ -0.0001702100000000, 0.0001473500000000, -0.0011224600000000 ] - [ 0.0002338300000000, 0.0006408400000000, -0.0017899600000000 ] - [ -0.0004360100000000, -0.0005314500000000, -0.0015890000000000 ] - [ 0.0003400300000000, -0.0001304200000000, -0.0011226600000000 ] - [ 0.0008394400000000, -0.0002235500000000, -0.0006650200000000 ] - [ -0.0017638600000000, -0.0018471000000000, -0.0015842400000000 ] - [ 0.0006990800000000, 0.0020337200000000, -0.0026869300000000 ] - [ -0.0003351400000000, 0.0001451600000000, -0.0005686500000000 ] - [ 0.0016325300000000, -0.0019860400000000, -0.0035195900000000 ] - [ -0.0005704700000000, -0.0000347700000000, -0.0004784400000000 ] - [ -0.0014233500000000, 0.0014108100000000, -0.0010939200000000 ] - [ 0.0007834000000000, 0.0000763000000000, -0.0005811500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0244610400000000, -0.0605953600000000, 0.1478440000000000 ] - [ 0.0004243500000000, 0.0000107700000000, 0.0010383600000000 ] - [ -0.0000848900000000, 0.0001963600000000, 0.0010822500000000 ] - [ 0.0000305700000000, 0.0000426100000000, 0.0009404600000000 ] - [ 0.0004864400000000, -0.0035796200000000, 0.0049846500000000 ] - [ 0.0000015700000000, -0.0001984100000000, 0.0009195700000000 ] - [ -0.0036625500000000, 0.0043539800000000, 0.0048527500000000 ] - [ 0.0008576400000000, 0.0002228500000000, 0.0019708500000000 ] - [ 0.0051723300000000, -0.0007941000000000, 0.0050017300000000 ] - [ -0.0031108100000000, -0.0016353900000000, 0.0048347500000000 ] - [ -0.0003626200000000, 0.0007528800000000, 0.0019708300000000 ] - [ -0.0001873500000000, -0.0001695600000000, 0.0009195100000000 ] - [ 0.0081901300000000, 0.0168684800000000, -0.0250226100000000 ] - [ -0.0003540300000000, 0.0002794900000000, 0.0011144500000000 ] - [ 0.0005680100000000, -0.0002740500000000, 0.0011017100000000 ] - [ -0.0001209500000000, -0.0002358800000000, 0.0006967800000000 ] - [ -0.0082146200000000, 0.0005928600000000, 0.0004174900000000 ] - [ 0.0048611800000000, 0.0009153000000000, 0.0005266900000000 ] - [ -0.0006533600000000, -0.0008629000000000, 0.0010109800000000 ] - [ 0.0000617400000000, 0.0007000700000000, 0.0010396300000000 ] - [ -0.0016988600000000, 0.0041421100000000, 0.0005222800000000 ] - [ 0.0005555700000000, 0.0004023900000000, 0.0010088400000000 ] - [ 0.0043094600000000, -0.0062930500000000, 0.0004234000000000 ] - [ -0.0003004100000000, -0.0007949500000000, 0.0010418400000000 ] - [ 0.0000467700000000, 0.0000767500000000, -0.0003752800000000 ] - [ -0.0001992900000000, 0.0006980300000000, -0.0011253000000000 ] - [ -0.0001815800000000, -0.0000241600000000, -0.0006328100000000 ] - [ 0.0003712600000000, -0.0000853200000000, -0.0006822600000000 ] - [ -0.0003318000000000, 0.0001015000000000, -0.0006920800000000 ] - [ 0.0002602900000000, 0.0000649900000000, -0.0014352800000000 ] - [ -0.0001533500000000, -0.0003236800000000, -0.0005298100000000 ] - [ -0.0000387300000000, 0.0000754500000000, -0.0003699700000000 ] - [ -0.0000582500000000, -0.0000170700000000, -0.0004572700000000 ] - [ 0.0002692600000000, 0.0001681100000000, -0.0004801800000000 ] - [ -0.0000968500000000, -0.0005925300000000, -0.0013888900000000 ] - [ 0.0001029700000000, -0.0000614400000000, -0.0004074900000000 ] - [ 0.0000384500000000, 0.0000522300000000, -0.0005512800000000 ] - [ 0.0000623800000000, 0.0002131000000000, -0.0008200300000000 ] - [ -0.0001006700000000, 0.0000964900000000, -0.0007343700000000 ] - [ 0.0001459900000000, -0.0000013000000000, -0.0007024700000000 ] - [ -0.0000404800000000, -0.0000563400000000, -0.0006631600000000 ] - [ 0.0001790500000000, 0.0000568700000000, -0.0006457200000000 ] - [ 0.0001146500000000, -0.0002353900000000, -0.0009498500000000 ] - [ 0.0000442700000000, -0.0000669000000000, -0.0005625700000000 ] - [ -0.0001288000000000, -0.0000095300000000, -0.0006458500000000 ] - [ -0.0001733300000000, 0.0000055100000000, -0.0009485400000000 ] - [ -0.0000880300000000, -0.0000119000000000, -0.0006624000000000 ] - [ -0.0000586900000000, -0.0000665500000000, -0.0005627100000000 ] - [ 0.0005066300000000, -0.0002885800000000, -0.0006861000000000 ] - [ -0.0005659000000000, 0.0000880700000000, -0.0006372900000000 ] - [ 0.0001040300000000, 0.0005569800000000, -0.0011336800000000 ] - [ 0.0000992400000000, 0.0000160900000000, -0.0003791300000000 ] - [ -0.0002543700000000, 0.0000461700000000, -0.0013978300000000 ] - [ -0.0001453700000000, 0.0000135700000000, -0.0004865000000000 ] - [ -0.0000382700000000, -0.0001045100000000, -0.0004127200000000 ] - [ -0.0000634500000000, 0.0000320500000000, -0.0004627500000000 ] - [ 0.0003570000000000, -0.0006393500000000, -0.0014446900000000 ] - [ 0.0000285100000000, -0.0000397200000000, -0.0003728300000000 ] - [ -0.0003858800000000, -0.0000232000000000, -0.0005337700000000 ] - [ 0.0005049300000000, 0.0003480800000000, -0.0006974700000000 ] - [ 0.0008211600000000, -0.0006489700000000, -0.0002622500000000 ] - [ -0.0006497800000000, -0.0001332900000000, 0.0000559200000000 ] - [ -0.0007853800000000, 0.0019871800000000, -0.0020419900000000 ] - [ 0.0002075400000000, -0.0000333300000000, 0.0000775600000000 ] - [ 0.0002216100000000, 0.0000246800000000, 0.0000740700000000 ] - [ -0.0009005100000000, -0.0024344400000000, -0.0032562000000000 ] - [ 0.0006833600000000, 0.0006647500000000, -0.0002579900000000 ] - [ -0.0003968900000000, 0.0001181200000000, 0.0000572700000000 ] - [ 0.0000026800000000, 0.0003792800000000, 0.0000755100000000 ] - [ -0.0000457600000000, -0.0006895800000000, 0.0000578600000000 ] - [ 0.0012952600000000, 0.0002776500000000, -0.0032538600000000 ] - [ -0.0006300000000000, 0.0000480500000000, -0.0002562300000000 ] - [ -0.0002080300000000, 0.0001645100000000, -0.0006477700000000 ] - [ 0.0011738600000000, 0.0019363400000000, -0.0008941500000000 ] - [ 0.0021892400000000, 0.0034312800000000, -0.0043742900000000 ] - [ 0.0001873800000000, -0.0000936700000000, -0.0006369000000000 ] - [ 0.0002825500000000, -0.0001632100000000, 0.0001619600000000 ] - [ -0.0013344500000000, -0.0021466300000000, 0.0009800200000000 ] - [ 0.0006930200000000, 0.0011784400000000, 0.0008975000000000 ] - [ -0.0002830400000000, 0.0001345800000000, 0.0001403200000000 ] - [ 0.0014844800000000, -0.0003422000000000, 0.0020186000000000 ] - [ -0.0003429300000000, -0.0000824500000000, 0.0002799000000000 ] - [ -0.0001668600000000, 0.0004872300000000, 0.0006501200000000 ] - [ 0.0000095200000000, -0.0000306200000000, 0.0001362200000000 ] - [ -0.0000028400000000, 0.0000240300000000, 0.0008632200000000 ] - [ 0.0000055100000000, -0.0000002600000000, 0.0006696500000000 ] - [ 0.0000459400000000, 0.0000190100000000, 0.0007022100000000 ] - [ -0.0000280600000000, -0.0000240600000000, 0.0006756900000000 ] - [ -0.0000217900000000, 0.0000976400000000, 0.0006929200000000 ] - [ -0.0000212800000000, -0.0000829100000000, 0.0006752600000000 ] - [ 0.0001314400000000, -0.0000292700000000, 0.0008544000000000 ] - [ -0.0001140900000000, -0.0000065300000000, 0.0007217300000000 ] - [ -0.0000532200000000, 0.0003019500000000, -0.0006442900000000 ] - [ 0.0000063600000000, -0.0002423100000000, -0.0006084900000000 ] - [ 0.0025149900000000, -0.0006048500000000, 0.0000935800000000 ] - [ -0.0009305400000000, -0.0000177500000000, -0.0004498700000000 ] - [ -0.0229505200000000, 0.0397074400000000, -0.0625984600000000 ] - [ -0.0010868000000000, -0.0008636900000000, -0.0032771600000000 ] - [ -0.0012525700000000, 0.0019378600000000, -0.0067713300000000 ] - [ -0.0003868400000000, -0.0003194100000000, -0.0024947100000000 ] - [ -0.0004899100000000, -0.0012941500000000, -0.0037417900000000 ] - [ 0.0000982900000000, -0.0004041100000000, -0.0023946800000000 ] - [ 0.0355010400000000, 0.0032758500000000, -0.0627118000000000 ] - [ 0.0028755600000000, -0.0000698800000000, -0.0069571600000000 ] - [ 0.0003856900000000, -0.0004590200000000, 0.0012414700000000 ] - [ -0.0001866700000000, 0.0000735500000000, 0.0010525100000000 ] - [ -0.0004008700000000, 0.0005034600000000, 0.0020829800000000 ] - [ 0.0002615300000000, 0.0000317100000000, 0.0012285700000000 ] - [ 0.0001648100000000, -0.0001484600000000, 0.0011095600000000 ] - [ -0.0002356700000000, -0.0006363600000000, 0.0017717800000000 ] - [ 0.0004282400000000, 0.0005288400000000, 0.0015748500000000 ] - [ -0.0003422800000000, 0.0001302800000000, 0.0011092900000000 ] - [ -0.0008424800000000, 0.0002262500000000, 0.0006788400000000 ] - [ 0.0017740000000000, 0.0018595300000000, 0.0016021100000000 ] - [ -0.0007033200000000, -0.0020414000000000, 0.0027125300000000 ] - [ 0.0003379000000000, -0.0001433600000000, 0.0005828900000000 ] - [ -0.0016454300000000, 0.0019948700000000, 0.0035138500000000 ] - [ 0.0005743100000000, 0.0000321100000000, 0.0004546600000000 ] - [ 0.0014305300000000, -0.0014207100000000, 0.0010743500000000 ] - [ -0.0007891000000000, -0.0000790800000000, 0.0005588100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000001499599, 0.0000000000000000 ] forces: - [ -0.0010870300000000, 0.0006861300000000, 0.0001912300000000 ] - [ 0.0011919400000000, -0.0020254700000000, -0.0011927900000000 ] - [ 0.0057858500000000, 0.0033317200000000, -0.0021064400000000 ] - [ -0.0020147500000000, 0.0013559600000000, -0.0002062100000000 ] - [ -0.0024953300000000, -0.0000279400000000, 0.0022514200000000 ] - [ 0.0114391200000000, -0.0002511800000000, 0.0041790400000000 ] - [ 0.0002186600000000, -0.0010137300000000, 0.0000458900000000 ] - [ 0.0002600200000000, 0.0010260600000000, 0.0000189600000000 ] - [ 0.0053015800000000, -0.0029718900000000, -0.0017956500000000 ] - [ -0.0018921400000000, -0.0013138100000000, -0.0002574000000000 ] - [ 0.0010837400000000, 0.0021563400000000, -0.0010991800000000 ] - [ -0.0011532800000000, -0.0008005000000000, 0.0001660000000000 ] - [ -0.0009927500000000, 0.0005240100000000, 0.0002916700000000 ] - [ 0.0016034600000000, -0.0010501700000000, -0.0006871500000000 ] - [ -0.0000132900000000, -0.0008426700000000, 0.0013526000000000 ] - [ -0.0004711500000000, 0.0004478000000000, -0.0002746600000000 ] - [ -0.0001364200000000, 0.0007588300000000, 0.0012052900000000 ] - [ -0.0004501100000000, -0.0004977900000000, -0.0002550400000000 ] - [ 0.0017145700000000, 0.0010737000000000, -0.0006703900000000 ] - [ -0.0010097700000000, -0.0005523500000000, 0.0002862300000000 ] - [ -0.0001671800000000, 0.0001105600000000, 0.0013558100000000 ] - [ -0.0014382300000000, -0.0001444300000000, -0.0025385200000000 ] - [ 0.0001857000000000, 0.0004860700000000, -0.0000338800000000 ] - [ 0.0001473300000000, -0.0005171100000000, -0.0000090700000000 ] - [ 0.0001128200000000, 0.0000172100000000, -0.0001411800000000 ] - [ -0.0001048100000000, 0.0000045700000000, 0.0001034000000000 ] - [ 0.0000133400000000, 0.0000623900000000, 0.0000116100000000 ] - [ 0.0000115700000000, -0.0000450000000000, 0.0000118800000000 ] - [ 0.0001065700000000, 0.0000139900000000, 0.0000488500000000 ] - [ -0.0001093500000000, -0.0000458600000000, -0.0000747600000000 ] - [ -0.0000061800000000, 0.0000793300000000, -0.0000543600000000 ] - [ -0.0000153400000000, -0.0000606700000000, 0.0000816000000000 ] - [ 0.0001189300000000, 0.0000050300000000, 0.0000874300000000 ] - [ -0.0000949700000000, 0.0000093100000000, -0.0000977500000000 ] - [ -0.0000374200000000, 0.0000426900000000, 0.0000576200000000 ] - [ 0.0000217900000000, -0.0000592300000000, -0.0000541200000000 ] - [ 0.0000585300000000, 0.0000067200000000, 0.0000186900000000 ] - [ -0.0000706800000000, -0.0000308200000000, 0.0000110000000000 ] - [ 0.0000065900000000, 0.0000273400000000, -0.0000294400000000 ] - [ -0.0000345100000000, -0.0000404900000000, 0.0000442000000000 ] - [ 0.0000299400000000, -0.0000189400000000, -0.0000155000000000 ] - [ -0.0000525900000000, 0.0000047300000000, 0.0000131200000000 ] - [ -0.0000122200000000, 0.0000426000000000, 0.0000139500000000 ] - [ 0.0000172100000000, -0.0000204100000000, 0.0000101600000000 ] - [ 0.0000917400000000, -0.0000297700000000, 0.0000133400000000 ] - [ -0.0000699000000000, 0.0000205300000000, -0.0000402400000000 ] - [ -0.0000093900000000, 0.0000502200000000, -0.0000033600000000 ] - [ 0.0000214200000000, -0.0000358600000000, 0.0000338600000000 ] - [ 0.0012809400000000, 0.0007192800000000, -0.0015042800000000 ] - [ -0.0005423000000000, -0.0000734600000000, 0.0003313900000000 ] - [ -0.0001245200000000, 0.0002953200000000, 0.0001513400000000 ] - [ 0.0000036100000000, -0.0001500400000000, -0.0000243900000000 ] - [ -0.0002032300000000, 0.0002743500000000, -0.0002408900000000 ] - [ -0.0001267500000000, -0.0004873900000000, 0.0003409700000000 ] - [ 0.0009451700000000, -0.0007023900000000, 0.0004499200000000 ] - [ -0.0002882700000000, 0.0001153300000000, -0.0000184300000000 ] - [ -0.0007922000000000, -0.0001135800000000, -0.0005164100000000 ] - [ -0.0000965200000000, 0.0002769900000000, 0.0010280900000000 ] - [ -0.0000539500000000, -0.0002129800000000, -0.0001118800000000 ] - [ 0.0001069400000000, 0.0002167000000000, 0.0000212000000000 ] - [ 0.0019469600000000, 0.0007338500000000, -0.0026047100000000 ] - [ -0.0015172100000000, -0.0000757900000000, 0.0009503500000000 ] - [ -0.0002844900000000, 0.0005288700000000, 0.0000695100000000 ] - [ 0.0001166900000000, -0.0002981300000000, 0.0000090700000000 ] - [ 0.0022793400000000, 0.0000826500000000, 0.0018132700000000 ] - [ -0.0012948900000000, -0.0000583300000000, -0.0002777000000000 ] - [ -0.0001645200000000, 0.0004493400000000, 0.0002220400000000 ] - [ 0.0002861000000000, -0.0004538300000000, -0.0004380500000000 ] - [ 0.0027190000000000, 0.0006322800000000, 0.0007454400000000 ] - [ -0.0006439800000000, -0.0001621100000000, -0.0002055600000000 ] - [ -0.0002569600000000, 0.0013031000000000, -0.0004811800000000 ] - [ -0.0002524400000000, -0.0006298500000000, 0.0002349200000000 ] - [ -0.0319433000000000, 0.0000435200000000, -0.0002423300000000 ] - [ 0.0012191800000000, 0.0000020300000000, 0.0000488400000000 ] - [ 0.0001733600000000, -0.0006243400000000, -0.0000527400000000 ] - [ 0.0001539400000000, 0.0005993300000000, 0.0000445600000000 ] - [ -0.0005766700000000, 0.0000085400000000, -0.0000149300000000 ] - [ 0.0004781200000000, 0.0000010900000000, 0.0000037700000000 ] - [ 0.0000423900000000, -0.0002363100000000, -0.0000214400000000 ] - [ 0.0000551900000000, 0.0002608200000000, -0.0000221400000000 ] - [ 0.0000572700000000, -0.0000936800000000, -0.0002576800000000 ] - [ -0.0000224900000000, 0.0001339900000000, 0.0002879600000000 ] - [ -0.0001809100000000, -0.0000484500000000, 0.0000101300000000 ] - [ 0.0001071600000000, -0.0000013900000000, 0.0000135600000000 ] - [ 0.0000460200000000, -0.0000213700000000, 0.0001304100000000 ] - [ 0.0000296400000000, 0.0000460400000000, -0.0001388000000000 ] - [ -0.0000204800000000, -0.0000016100000000, -0.0000316100000000 ] - [ 0.0000205000000000, 0.0000076900000000, -0.0000137800000000 ] - [ -0.0000230200000000, 0.0001246700000000, 0.0001191400000000 ] - [ 0.0000555300000000, -0.0001037800000000, -0.0001115900000000 ] - [ 0.0001065900000000, -0.0000141300000000, -0.0000053200000000 ] - [ -0.0001812200000000, -0.0000580600000000, -0.0000233400000000 ] - [ 0.0036827400000000, 0.0030938400000000, 0.0017150600000000 ] - [ 0.0037919900000000, -0.0030785600000000, -0.0017878300000000 ] - [ 0.0003372700000000, 0.0000079500000000, 0.0000052400000000 ] - [ -0.0016085300000000, -0.0000470700000000, 0.0000695200000000 ] - [ 0.0035474200000000, -0.0043220700000000, -0.0041345300000000 ] - [ 0.0035970700000000, 0.0057602600000000, 0.0047341500000000 ] - [ -0.0051985200000000, 0.0007552000000000, -0.0005466500000000 ] - [ 0.0019662200000000, -0.0004019800000000, 0.0000078100000000 ] - [ 0.0029362300000000, 0.0036079500000000, -0.0035907600000000 ] - [ 0.0029316500000000, -0.0052786300000000, 0.0042901700000000 ] - [ 0.0018485500000000, 0.0004446700000000, -0.0000065200000000 ] - [ -0.0047994600000000, -0.0008302700000000, -0.0006985600000000 ] - [ 0.0000086900000000, 0.0000598800000000, -0.0001115000000000 ] - [ 0.0000084500000000, -0.0000887400000000, 0.0001167100000000 ] - [ 0.0001106500000000, 0.0000361400000000, 0.0000068000000000 ] - [ -0.0001204300000000, -0.0000150700000000, 0.0000149300000000 ] - [ -0.0002908000000000, 0.0000254200000000, -0.0000076500000000 ] - [ 0.0002766200000000, 0.0000105100000000, 0.0000303300000000 ] - [ 0.0000227900000000, -0.0001657300000000, -0.0000023000000000 ] - [ -0.0000030900000000, 0.0001424900000000, -0.0000508400000000 ] - [ -0.0077344400000000, 0.0002462800000000, 0.0000396000000000 ] - [ 0.0022778700000000, 0.0001000400000000, -0.0002599400000000 ] - [ 0.0003915700000000, -0.0012703100000000, 0.0002786600000000 ] - [ 0.0001475100000000, 0.0010425200000000, 0.0000014200000000 ] - [ 0.0023253700000000, -0.0025255800000000, 0.0025259200000000 ] - [ 0.0020968100000000, 0.0011692600000000, -0.0021647000000000 ] - [ -0.0009752400000000, -0.0008601700000000, -0.0003980300000000 ] - [ 0.0001821600000000, 0.0001992700000000, -0.0000109500000000 ]- atom: 73 displacement: [ -0.0100000000000000, -0.0000000001499599, 0.0000000000000000 ] forces: - [ 0.0010998000000000, -0.0006657800000000, -0.0002136200000000 ] - [ -0.0011679400000000, 0.0020411300000000, 0.0011685800000000 ] - [ -0.0058145800000000, -0.0034525000000000, 0.0021837300000000 ] - [ 0.0020299700000000, -0.0013308400000000, 0.0001826100000000 ] - [ 0.0025060900000000, 0.0000279500000000, -0.0022958900000000 ] - [ -0.0107907800000000, 0.0002316800000000, -0.0037773100000000 ] - [ -0.0002288500000000, 0.0010080700000000, -0.0000539100000000 ] - [ -0.0002702500000000, -0.0010215300000000, -0.0000268100000000 ] - [ -0.0053167400000000, 0.0030762200000000, 0.0018647200000000 ] - [ 0.0018990000000000, 0.0013026600000000, 0.0002472900000000 ] - [ -0.0010689800000000, -0.0021574400000000, 0.0010861700000000 ] - [ 0.0011574200000000, 0.0007945600000000, -0.0001770800000000 ] - [ 0.0009811200000000, -0.0005498000000000, -0.0002828900000000 ] - [ -0.0016094800000000, 0.0010286700000000, 0.0006956100000000 ] - [ -0.0000003600000000, 0.0008183400000000, -0.0013306200000000 ] - [ 0.0004600700000000, -0.0004669900000000, 0.0002837100000000 ] - [ 0.0001261700000000, -0.0007514300000000, -0.0011959100000000 ] - [ 0.0004452000000000, 0.0005016400000000, 0.0002516100000000 ] - [ -0.0017156300000000, -0.0010677900000000, 0.0006672100000000 ] - [ 0.0010043600000000, 0.0005629600000000, -0.0002898000000000 ] - [ 0.0001662600000000, -0.0001089900000000, -0.0013640100000000 ] - [ 0.0014454900000000, 0.0001472300000000, 0.0025459300000000 ] - [ -0.0001753100000000, -0.0004853600000000, 0.0000343600000000 ] - [ -0.0001380300000000, 0.0005205300000000, 0.0000088700000000 ] - [ -0.0001003100000000, 0.0000037500000000, 0.0001294700000000 ] - [ 0.0001169300000000, 0.0000166100000000, -0.0001148900000000 ] - [ -0.0000010200000000, -0.0000414400000000, -0.0000221100000000 ] - [ 0.0000004700000000, 0.0000655500000000, -0.0000222400000000 ] - [ -0.0001135300000000, -0.0000158500000000, -0.0000476000000000 ] - [ 0.0001005500000000, 0.0000442600000000, 0.0000740800000000 ] - [ -0.0000019800000000, -0.0000818400000000, 0.0000546600000000 ] - [ 0.0000065500000000, 0.0000582500000000, -0.0000813800000000 ] - [ -0.0001121800000000, -0.0000104700000000, -0.0000862000000000 ] - [ 0.0001015900000000, -0.0000144700000000, 0.0000994400000000 ] - [ 0.0000439200000000, -0.0000482100000000, -0.0000564500000000 ] - [ -0.0000151400000000, 0.0000542900000000, 0.0000553400000000 ] - [ -0.0000736400000000, -0.0000308100000000, 0.0000009200000000 ] - [ 0.0000554600000000, 0.0000078200000000, 0.0000084800000000 ] - [ -0.0000220700000000, -0.0000502900000000, 0.0000494100000000 ] - [ 0.0000193600000000, 0.0000174000000000, -0.0000246600000000 ] - [ -0.0000367800000000, 0.0000273700000000, 0.0000217200000000 ] - [ 0.0000470600000000, 0.0000042600000000, -0.0000064500000000 ] - [ 0.0000057400000000, -0.0000336400000000, -0.0000071600000000 ] - [ -0.0000241100000000, 0.0000310800000000, -0.0000024400000000 ] - [ -0.0000803300000000, 0.0000313200000000, -0.0000063600000000 ] - [ 0.0000820200000000, -0.0000199500000000, 0.0000491300000000 ] - [ 0.0000217100000000, -0.0000499300000000, 0.0000113800000000 ] - [ -0.0000100800000000, 0.0000359800000000, -0.0000259600000000 ] - [ -0.0012703500000000, -0.0006944700000000, 0.0014849700000000 ] - [ 0.0005543400000000, 0.0000973800000000, -0.0003504500000000 ] - [ 0.0001381100000000, -0.0002735800000000, -0.0001756400000000 ] - [ 0.0000058100000000, 0.0001771200000000, 0.0000020200000000 ] - [ 0.0001901800000000, -0.0002796400000000, 0.0002281500000000 ] - [ 0.0001159500000000, 0.0004872100000000, -0.0003551100000000 ] - [ -0.0009640400000000, 0.0006988600000000, -0.0004677200000000 ] - [ 0.0002753500000000, -0.0001182400000000, 0.0000072500000000 ] - [ 0.0007969700000000, 0.0001066300000000, 0.0005064800000000 ] - [ 0.0001109400000000, -0.0002852900000000, -0.0010438200000000 ] - [ 0.0000630200000000, 0.0002047800000000, 0.0001010700000000 ] - [ -0.0000959500000000, -0.0002227700000000, -0.0000311200000000 ] - [ -0.0020482200000000, -0.0007404500000000, 0.0025396100000000 ] - [ 0.0015001900000000, 0.0000451600000000, -0.0009159400000000 ] - [ 0.0002757100000000, -0.0005582000000000, -0.0000467100000000 ] - [ -0.0001275800000000, 0.0002741600000000, 0.0000132300000000 ] - [ -0.0022524000000000, -0.0000557400000000, -0.0018363400000000 ] - [ 0.0012812500000000, 0.0000638300000000, 0.0002927100000000 ] - [ 0.0001553600000000, -0.0004388100000000, -0.0002095100000000 ] - [ -0.0003009700000000, 0.0004612500000000, 0.0004502400000000 ] - [ -0.0027014700000000, -0.0006393200000000, -0.0007503900000000 ] - [ 0.0006586800000000, 0.0001684600000000, 0.0002219200000000 ] - [ 0.0002702300000000, -0.0013005400000000, 0.0004965000000000 ] - [ 0.0002684800000000, 0.0006334400000000, -0.0002193500000000 ] - [ 0.0313192300000000, 0.0000430500000000, -0.0002336500000000 ] - [ -0.0012339100000000, -0.0000170700000000, -0.0000225400000000 ] - [ -0.0001858200000000, 0.0006080300000000, 0.0000794300000000 ] - [ -0.0001655000000000, -0.0006138900000000, -0.0000182000000000 ] - [ 0.0005840900000000, 0.0000084400000000, -0.0000147800000000 ] - [ -0.0004720600000000, 0.0000160000000000, -0.0000297300000000 ] - [ -0.0000346700000000, 0.0002529700000000, -0.0000049100000000 ] - [ -0.0000475000000000, -0.0002433800000000, -0.0000043400000000 ] - [ -0.0000634100000000, 0.0000778300000000, 0.0002846600000000 ] - [ 0.0000149400000000, -0.0001512900000000, -0.0002610900000000 ] - [ 0.0001732000000000, 0.0000314600000000, 0.0000165800000000 ] - [ -0.0001146100000000, -0.0000165500000000, 0.0000135100000000 ] - [ -0.0000335000000000, 0.0000366200000000, -0.0001570500000000 ] - [ -0.0000172100000000, -0.0000307500000000, 0.0001123800000000 ] - [ 0.0000329700000000, 0.0000172500000000, 0.0000050200000000 ] - [ -0.0000075900000000, 0.0000077000000000, -0.0000136900000000 ] - [ 0.0000145300000000, -0.0001381000000000, -0.0001303100000000 ] - [ -0.0000651000000000, 0.0000903700000000, 0.0001008300000000 ] - [ -0.0001151900000000, 0.0000010300000000, -0.0000055800000000 ] - [ 0.0001728800000000, 0.0000445200000000, 0.0000129300000000 ] - [ -0.0037054400000000, -0.0031217300000000, -0.0017271200000000 ] - [ -0.0037473400000000, 0.0030499100000000, 0.0017776500000000 ] - [ -0.0003287900000000, 0.0000078500000000, 0.0000053800000000 ] - [ 0.0016175500000000, 0.0000401200000000, -0.0000531600000000 ] - [ -0.0035317900000000, 0.0043753100000000, 0.0041906600000000 ] - [ -0.0035726900000000, -0.0057554800000000, -0.0046863100000000 ] - [ 0.0051821200000000, -0.0007323700000000, 0.0005485600000000 ] - [ -0.0019641900000000, 0.0003943100000000, 0.0000077300000000 ] - [ -0.0029211100000000, -0.0036536200000000, 0.0036068700000000 ] - [ -0.0029207100000000, 0.0052779500000000, -0.0042815400000000 ] - [ -0.0018551400000000, -0.0004374100000000, -0.0000064400000000 ] - [ 0.0047767600000000, 0.0008129800000000, 0.0006755400000000 ] - [ -0.0000036700000000, -0.0000601000000000, 0.0001253600000000 ] - [ -0.0000054300000000, 0.0000891500000000, -0.0001031900000000 ] - [ -0.0001064200000000, -0.0000356200000000, 0.0000067900000000 ] - [ 0.0001245100000000, 0.0000151100000000, -0.0000020400000000 ] - [ 0.0002868200000000, -0.0000258300000000, -0.0000075300000000 ] - [ -0.0002811100000000, -0.0000105500000000, -0.0000449000000000 ] - [ -0.0000268200000000, 0.0001658200000000, -0.0000132600000000 ] - [ -0.0000013900000000, -0.0001423500000000, 0.0000354600000000 ] - [ 0.0077453900000000, -0.0002527700000000, 0.0000394500000000 ] - [ -0.0022711500000000, -0.0000974600000000, 0.0002685400000000 ] - [ -0.0003963000000000, 0.0012745700000000, -0.0002634500000000 ] - [ -0.0001459600000000, -0.0010410800000000, 0.0000147600000000 ] - [ -0.0023225900000000, 0.0025195500000000, -0.0025563700000000 ] - [ -0.0021155500000000, -0.0011624700000000, 0.0021321500000000 ] - [ 0.0009831400000000, 0.0008738800000000, 0.0003871800000000 ] - [ -0.0001822400000000, -0.0002073700000000, -0.0000109800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006666700000000, -0.0004055800000000, 0.0006489500000000 ] - [ -0.0007349700000000, -0.0012849500000000, 0.0008972000000000 ] - [ -0.0023463700000000, -0.0038750900000000, 0.0043809200000000 ] - [ -0.0006748500000000, 0.0003560700000000, 0.0006381900000000 ] - [ 0.0014802800000000, 0.0000059700000000, 0.0008972000000000 ] - [ 0.0045291200000000, -0.0000944700000000, 0.0043809200000000 ] - [ 0.0000179000000000, 0.0007801400000000, 0.0006489500000000 ] - [ 0.0000290500000000, -0.0007624700000000, 0.0006381900000000 ] - [ -0.0021827400000000, 0.0039695700000000, 0.0043809200000000 ] - [ -0.0006845700000000, -0.0003745600000000, 0.0006489500000000 ] - [ -0.0007453100000000, 0.0012789800000000, 0.0008972000000000 ] - [ 0.0006457900000000, 0.0004064000000000, 0.0006381900000000 ] - [ 0.0003435300000000, -0.0002186700000000, -0.0001477000000000 ] - [ -0.0007569100000000, -0.0012610200000000, -0.0009058500000000 ] - [ 0.0003587300000000, 0.0006629200000000, -0.0009840600000000 ] - [ -0.0003164200000000, 0.0001578300000000, -0.0001690200000000 ] - [ 0.0003947400000000, -0.0006421300000000, -0.0009840600000000 ] - [ -0.0003611400000000, -0.0001881700000000, -0.0001477000000000 ] - [ -0.0007136200000000, 0.0012860100000000, -0.0009058500000000 ] - [ 0.0002948900000000, 0.0001951200000000, -0.0001690200000000 ] - [ 0.0014705300000000, -0.0000249900000000, -0.0009058500000000 ] - [ -0.0007534700000000, -0.0000207900000000, -0.0009840600000000 ] - [ 0.0000176100000000, 0.0004068400000000, -0.0001477000000000 ] - [ 0.0000215300000000, -0.0003529400000000, -0.0001690200000000 ] - [ 0.0000186700000000, 0.0001478100000000, -0.0008577300000000 ] - [ 0.0000716300000000, 0.0001112300000000, -0.0007257000000000 ] - [ 0.0000462000000000, 0.0000906000000000, -0.0006962900000000 ] - [ 0.0000290500000000, 0.0001253100000000, -0.0006789200000000 ] - [ -0.0001373400000000, -0.0000577400000000, -0.0008577300000000 ] - [ -0.0001230500000000, -0.0000374900000000, -0.0006789200000000 ] - [ -0.0001321400000000, 0.0000064200000000, -0.0007257000000000 ] - [ -0.0001015600000000, -0.0000052800000000, -0.0006962900000000 ] - [ 0.0001186700000000, -0.0000900700000000, -0.0008577300000000 ] - [ 0.0000553600000000, -0.0000853100000000, -0.0006962900000000 ] - [ 0.0000939900000000, -0.0000878100000000, -0.0006789200000000 ] - [ 0.0000605100000000, -0.0001176500000000, -0.0007257000000000 ] - [ 0.0000860700000000, 0.0000905500000000, -0.0008681800000000 ] - [ -0.0000024700000000, 0.0000822100000000, -0.0006755000000000 ] - [ 0.0000175900000000, 0.0001450800000000, -0.0007082200000000 ] - [ 0.0000401500000000, 0.0001020300000000, -0.0006814200000000 ] - [ 0.0000353800000000, -0.0001198100000000, -0.0008681800000000 ] - [ 0.0001168500000000, -0.0000877700000000, -0.0007082200000000 ] - [ 0.0000682900000000, -0.0000857900000000, -0.0006814200000000 ] - [ 0.0000724300000000, -0.0000389600000000, -0.0006755000000000 ] - [ -0.0001214500000000, 0.0000292700000000, -0.0008681800000000 ] - [ -0.0001084400000000, -0.0000162400000000, -0.0006814200000000 ] - [ -0.0000699600000000, -0.0000432500000000, -0.0006755000000000 ] - [ -0.0001344400000000, -0.0000573100000000, -0.0007082200000000 ] - [ -0.0004012000000000, 0.0010229900000000, -0.0020119900000000 ] - [ 0.0002608400000000, 0.0000864200000000, -0.0002712100000000 ] - [ 0.0007936100000000, -0.0009277600000000, -0.0006414600000000 ] - [ -0.0002614000000000, 0.0000789500000000, -0.0001275400000000 ] - [ -0.0002052700000000, 0.0001826800000000, -0.0002712100000000 ] - [ 0.0004066600000000, 0.0011511700000000, -0.0006414600000000 ] - [ -0.0006853400000000, -0.0008589400000000, -0.0020119900000000 ] - [ 0.0000623300000000, -0.0002658600000000, -0.0001275400000000 ] - [ -0.0012002700000000, -0.0002234100000000, -0.0006414600000000 ] - [ 0.0010865300000000, -0.0001640500000000, -0.0020119900000000 ] - [ -0.0000555800000000, -0.0002691100000000, -0.0002712100000000 ] - [ 0.0001990800000000, 0.0001869100000000, -0.0001275400000000 ] - [ -0.0017774500000000, 0.0014731900000000, -0.0002182900000000 ] - [ 0.0014577200000000, -0.0004598100000000, 0.0004545400000000 ] - [ 0.0003526100000000, -0.0010082000000000, 0.0006488800000000 ] - [ -0.0003154500000000, 0.0002241200000000, 0.0006150100000000 ] - [ 0.0021645400000000, 0.0008027200000000, -0.0002182900000000 ] - [ -0.0010494300000000, 0.0001987300000000, 0.0006488800000000 ] - [ 0.0003518200000000, 0.0001611300000000, 0.0006150100000000 ] - [ -0.0011270700000000, -0.0010325100000000, 0.0004545400000000 ] - [ -0.0003871000000000, -0.0022759100000000, -0.0002182900000000 ] - [ -0.0000363600000000, -0.0003852500000000, 0.0006150100000000 ] - [ -0.0003306500000000, 0.0014923200000000, 0.0004545400000000 ] - [ 0.0006968200000000, 0.0008094700000000, 0.0006488800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0329064400000000 ] - [ 0.0000343500000000, 0.0000559300000000, -0.0015019100000000 ] - [ -0.0000656100000000, 0.0000017800000000, -0.0015019100000000 ] - [ 0.0000312600000000, -0.0000577100000000, -0.0015019100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017466200000000 ] - [ 0.0000164100000000, -0.0000005100000000, 0.0006497600000000 ] - [ -0.0000077700000000, 0.0000144700000000, 0.0006497600000000 ] - [ -0.0000086400000000, -0.0000139600000000, 0.0006497600000000 ] - [ -0.0001065900000000, 0.0000831700000000, 0.0008303700000000 ] - [ 0.0001253200000000, 0.0000507200000000, 0.0008303700000000 ] - [ -0.0000187300000000, -0.0001338900000000, 0.0008303700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006593600000000 ] - [ 0.0001434000000000, -0.0000617800000000, 0.0008203400000000 ] - [ -0.0001252100000000, -0.0000933000000000, 0.0008203400000000 ] - [ -0.0000182000000000, 0.0001550800000000, 0.0008203400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005727800000000 ] - [ 0.0002740300000000, 0.0001545300000000, 0.0008115500000000 ] - [ -0.0002708400000000, 0.0001600600000000, 0.0008115500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006412300000000 ] - [ -0.0000031900000000, -0.0003145800000000, 0.0008115500000000 ] - [ 0.0017257300000000, 0.0010677700000000, -0.0021800700000000 ] - [ -0.0017875800000000, 0.0009606400000000, -0.0021800700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014271000000000 ] - [ 0.0000618500000000, -0.0020284100000000, -0.0021800700000000 ] - [ -0.0049268100000000, 0.0022595600000000, 0.0013178300000000 ] - [ 0.0044202500000000, 0.0031369600000000, 0.0013178300000000 ] - [ 0.0005065700000000, -0.0053965300000000, 0.0013178300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002171200000000 ] - [ -0.0043850700000000, -0.0020465000000000, 0.0015509900000000 ] - [ 0.0039648600000000, -0.0027743400000000, 0.0015509900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001117400000000 ] - [ 0.0004202200000000, 0.0048208400000000, 0.0015509900000000 ] - [ 0.0000120400000000, 0.0000186300000000, 0.0014967400000000 ] - [ -0.0000221600000000, 0.0000011100000000, 0.0014967400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013340000000000 ] - [ 0.0000101200000000, -0.0000197400000000, 0.0014967400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017026900000000 ] - [ -0.0000363100000000, 0.0000226600000000, 0.0013580000000000 ] - [ -0.0000014700000000, -0.0000427700000000, 0.0013580000000000 ] - [ 0.0000377800000000, 0.0000201200000000, 0.0013580000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0170415200000000 ] - [ 0.0001414200000000, 0.0008101800000000, 0.0000039200000000 ] - [ -0.0007723500000000, -0.0002826200000000, 0.0000039200000000 ] - [ 0.0006309300000000, -0.0005275600000000, 0.0000039200000000 ] - [ 0.0039294500000000, -0.0034921200000000, 0.0017333300000000 ] - [ -0.0049889900000000, -0.0016569500000000, 0.0017333300000000 ] - [ 0.0010595400000000, 0.0051490600000000, 0.0017333300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004521200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006616700000000, 0.0004216100000000, -0.0006603000000000 ] - [ 0.0007457100000000, 0.0013018300000000, -0.0008998100000000 ] - [ 0.0022635400000000, 0.0037371300000000, -0.0043362400000000 ] - [ 0.0006868900000000, -0.0003437700000000, -0.0006503400000000 ] - [ -0.0015002700000000, -0.0000051100000000, -0.0008998100000000 ] - [ -0.0043682100000000, 0.0000917200000000, -0.0043362400000000 ] - [ -0.0000342900000000, -0.0007838300000000, -0.0006603000000000 ] - [ -0.0000457400000000, 0.0007667500000000, -0.0006503400000000 ] - [ 0.0021046800000000, -0.0038288400000000, -0.0043362400000000 ] - [ 0.0006959600000000, 0.0003622100000000, -0.0006603000000000 ] - [ 0.0007545600000000, -0.0012967200000000, -0.0008998100000000 ] - [ -0.0006411600000000, -0.0004229800000000, -0.0006503400000000 ] - [ -0.0003475500000000, 0.0002045400000000, 0.0001538400000000 ] - [ 0.0007424200000000, 0.0012333300000000, 0.0009088900000000 ] - [ -0.0003637800000000, -0.0006769000000000, 0.0010016300000000 ] - [ 0.0003089100000000, -0.0001696400000000, 0.0001752600000000 ] - [ -0.0004043200000000, 0.0006535000000000, 0.0010016300000000 ] - [ 0.0003509100000000, 0.0001987200000000, 0.0001538400000000 ] - [ 0.0006968800000000, -0.0012596200000000, 0.0009088900000000 ] - [ -0.0003013700000000, -0.0001827100000000, 0.0001752600000000 ] - [ -0.0014393000000000, 0.0000262900000000, 0.0009088900000000 ] - [ 0.0007681100000000, 0.0000234000000000, 0.0010016300000000 ] - [ -0.0000033600000000, -0.0004032600000000, 0.0001538400000000 ] - [ -0.0000075500000000, 0.0003523400000000, 0.0001752600000000 ] - [ -0.0000140100000000, -0.0001363500000000, 0.0008570300000000 ] - [ -0.0000658400000000, -0.0000983300000000, 0.0007236300000000 ] - [ -0.0000410200000000, -0.0000782900000000, 0.0006961700000000 ] - [ -0.0000236400000000, -0.0001131000000000, 0.0006781100000000 ] - [ 0.0001250900000000, 0.0000560400000000, 0.0008570300000000 ] - [ 0.0001097600000000, 0.0000360800000000, 0.0006781100000000 ] - [ 0.0001180800000000, -0.0000078500000000, 0.0007236300000000 ] - [ 0.0000883100000000, 0.0000036200000000, 0.0006961700000000 ] - [ -0.0001110800000000, 0.0000803100000000, 0.0008570300000000 ] - [ -0.0000472900000000, 0.0000746700000000, 0.0006961700000000 ] - [ -0.0000861300000000, 0.0000770200000000, 0.0006781100000000 ] - [ -0.0000522400000000, 0.0001061800000000, 0.0007236300000000 ] - [ -0.0000941100000000, -0.0001051700000000, 0.0008801000000000 ] - [ -0.0000064900000000, -0.0000965300000000, 0.0006872400000000 ] - [ -0.0000260200000000, -0.0001589500000000, 0.0007199200000000 ] - [ -0.0000487900000000, -0.0001166600000000, 0.0006936800000000 ] - [ -0.0000440300000000, 0.0001340900000000, 0.0008801000000000 ] - [ -0.0001246500000000, 0.0001020100000000, 0.0007199200000000 ] - [ -0.0000766400000000, 0.0001005800000000, 0.0006936800000000 ] - [ -0.0000803600000000, 0.0000538900000000, 0.0006872400000000 ] - [ 0.0001381400000000, -0.0000289100000000, 0.0008801000000000 ] - [ 0.0001254200000000, 0.0000160800000000, 0.0006936800000000 ] - [ 0.0000868500000000, 0.0000426500000000, 0.0006872400000000 ] - [ 0.0001506700000000, 0.0000569400000000, 0.0007199200000000 ] - [ 0.0004113700000000, -0.0010075500000000, 0.0020013800000000 ] - [ -0.0002567900000000, -0.0000698700000000, 0.0002566300000000 ] - [ -0.0007897900000000, 0.0009453800000000, 0.0006270700000000 ] - [ 0.0002669300000000, -0.0000616400000000, 0.0001118600000000 ] - [ 0.0001889100000000, -0.0001874500000000, 0.0002566300000000 ] - [ -0.0004238300000000, -0.0011566700000000, 0.0006270700000000 ] - [ 0.0006668800000000, 0.0008600300000000, 0.0020013800000000 ] - [ -0.0000800900000000, 0.0002619900000000, 0.0001118600000000 ] - [ 0.0012136200000000, 0.0002112900000000, 0.0006270700000000 ] - [ -0.0010782500000000, 0.0001475200000000, 0.0020013800000000 ] - [ 0.0000678800000000, 0.0002573200000000, 0.0002566300000000 ] - [ -0.0001868500000000, -0.0002003500000000, 0.0001118600000000 ] - [ 0.0016791800000000, -0.0014749100000000, 0.0001076100000000 ] - [ -0.0014686500000000, 0.0004435800000000, -0.0004408200000000 ] - [ -0.0003589100000000, 0.0009945200000000, -0.0006354900000000 ] - [ 0.0003111600000000, -0.0002417700000000, -0.0006020200000000 ] - [ -0.0021169000000000, -0.0007167600000000, 0.0001076100000000 ] - [ 0.0010407300000000, -0.0001864300000000, -0.0006354900000000 ] - [ -0.0003649600000000, -0.0001485800000000, -0.0006020200000000 ] - [ 0.0011184800000000, 0.0010501000000000, -0.0004408200000000 ] - [ 0.0004377200000000, 0.0021916700000000, 0.0001076100000000 ] - [ 0.0000538000000000, 0.0003903600000000, -0.0006020200000000 ] - [ 0.0003501700000000, -0.0014936800000000, -0.0004408200000000 ] - [ -0.0006818200000000, -0.0008080900000000, -0.0006354900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0333889200000000 ] - [ -0.0000346100000000, -0.0000560600000000, 0.0015336000000000 ] - [ 0.0000658500000000, -0.0000019400000000, 0.0015336000000000 ] - [ -0.0000312400000000, 0.0000580000000000, 0.0015336000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017658700000000 ] - [ -0.0000173300000000, 0.0000002800000000, -0.0006798200000000 ] - [ 0.0000084200000000, -0.0000151400000000, -0.0006798200000000 ] - [ 0.0000089000000000, 0.0000148700000000, -0.0006798200000000 ] - [ 0.0001063000000000, -0.0000817100000000, -0.0008033900000000 ] - [ -0.0001239100000000, -0.0000512000000000, -0.0008033900000000 ] - [ 0.0000176100000000, 0.0001329100000000, -0.0008033900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006336000000000 ] - [ -0.0001442000000000, 0.0000621500000000, -0.0008489600000000 ] - [ 0.0001259300000000, 0.0000938100000000, -0.0008489600000000 ] - [ 0.0000182800000000, -0.0001559600000000, -0.0008489600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006012100000000 ] - [ -0.0002749300000000, -0.0001549000000000, -0.0008223600000000 ] - [ 0.0002716200000000, -0.0001606500000000, -0.0008223600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006522000000000 ] - [ 0.0000033200000000, 0.0003155500000000, -0.0008223600000000 ] - [ -0.0017163700000000, -0.0010613300000000, 0.0022068900000000 ] - [ 0.0017773200000000, -0.0009557500000000, 0.0022068900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014410500000000 ] - [ -0.0000609500000000, 0.0020170800000000, 0.0022068900000000 ] - [ 0.0049154500000000, -0.0022321900000000, -0.0013193200000000 ] - [ -0.0043908600000000, -0.0031408100000000, -0.0013193200000000 ] - [ -0.0005245900000000, 0.0053730000000000, -0.0013193200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002262300000000 ] - [ 0.0043734900000000, 0.0020187200000000, -0.0015790300000000 ] - [ -0.0039350100000000, 0.0027781900000000, -0.0015790300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000916500000000 ] - [ -0.0004384800000000, -0.0047969100000000, -0.0015790300000000 ] - [ -0.0000128100000000, -0.0000193100000000, -0.0014846900000000 ] - [ 0.0000231300000000, -0.0000014300000000, -0.0014846900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013218400000000 ] - [ -0.0000103200000000, 0.0000207500000000, -0.0014846900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017187100000000 ] - [ 0.0000362100000000, -0.0000226500000000, -0.0013745800000000 ] - [ 0.0000015100000000, 0.0000426800000000, -0.0013745800000000 ] - [ -0.0000377200000000, -0.0000200300000000, -0.0013745800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0172957700000000 ] - [ -0.0001408300000000, -0.0008122300000000, 0.0000127900000000 ] - [ 0.0007738300000000, 0.0002841500000000, 0.0000127900000000 ] - [ -0.0006330000000000, 0.0005280800000000, 0.0000127900000000 ] - [ -0.0039414400000000, 0.0034959900000000, -0.0017606700000000 ] - [ 0.0049983400000000, 0.0016654000000000, -0.0017606700000000 ] - [ -0.0010568900000000, -0.0051613900000000, -0.0017606700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004348100000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000001499599, 0.0000000000000000 ] forces: - [ 0.0485040400000000, -0.0304075500000000, 0.0229199800000000 ] - [ -0.0144538500000000, 0.0000378700000000, 0.0010745100000000 ] - [ 0.0024093300000000, 0.0030598400000000, 0.0012379100000000 ] - [ 0.0002386100000000, -0.0032197300000000, 0.0003754800000000 ] - [ 0.0358436600000000, 0.0161646700000000, 0.0231469300000000 ] - [ -0.0043327900000000, 0.0017763800000000, -0.0004778300000000 ] - [ -0.0044083400000000, 0.0061787200000000, -0.0012869500000000 ] - [ -0.0027132000000000, -0.0142921000000000, 0.0010230700000000 ] - [ 0.0860001000000000, 0.0043520200000000, -0.0485443100000000 ] - [ -0.0151199600000000, -0.0012479000000000, -0.0023152100000000 ] - [ 0.0023013200000000, 0.0032102000000000, 0.0000826900000000 ] - [ -0.0041114000000000, -0.0056560800000000, 0.0001984000000000 ] - [ 0.0602637900000000, -0.0007223400000000, -0.0350848700000000 ] - [ -0.0146882800000000, 0.0010808000000000, -0.0028517000000000 ] - [ -0.0040099100000000, 0.0053012800000000, 0.0004989100000000 ] - [ 0.0022902000000000, -0.0031149600000000, -0.0000952300000000 ] - [ 0.0411918400000000, 0.0200052300000000, 0.0159699300000000 ] - [ -0.0134473500000000, -0.0003360500000000, 0.0008551600000000 ] - [ 0.0000888400000000, 0.0033442400000000, 0.0004012100000000 ] - [ 0.0019021400000000, -0.0030096600000000, 0.0015125400000000 ] - [ 0.0337077400000000, -0.0090336900000000, 0.0211267100000000 ] - [ -0.0043774000000000, -0.0017924000000000, -0.0003021500000000 ] - [ -0.0027807100000000, 0.0134195500000000, 0.0013715400000000 ] - [ -0.0038052800000000, -0.0056565900000000, -0.0013607600000000 ] - [ -0.0008553200000000, 0.0005792000000000, -0.0003446900000000 ] - [ 0.0014232200000000, -0.0011199600000000, 0.0006968600000000 ] - [ 0.0006234400000000, -0.0005217800000000, -0.0017728800000000 ] - [ -0.0008629900000000, 0.0004629300000000, 0.0008347200000000 ] - [ -0.0003955300000000, 0.0004377000000000, -0.0021167600000000 ] - [ -0.0005122600000000, -0.0003008900000000, 0.0024880600000000 ] - [ 0.0003511600000000, 0.0002700000000000, 0.0000429200000000 ] - [ -0.0001890400000000, -0.0002425500000000, -0.0002245800000000 ] - [ 0.0002625300000000, 0.0005538000000000, -0.0007171800000000 ] - [ -0.0005084700000000, -0.0006382900000000, 0.0002929600000000 ] - [ 0.0018745100000000, 0.0012215000000000, 0.0014143300000000 ] - [ -0.0011230000000000, -0.0004898800000000, -0.0006165300000000 ] - [ -0.0002004500000000, 0.0001807700000000, -0.0001569000000000 ] - [ 0.0000821700000000, -0.0002680100000000, 0.0002453900000000 ] - [ 0.0007161900000000, -0.0000893500000000, -0.0004213000000000 ] - [ -0.0006011700000000, 0.0002073300000000, 0.0003505100000000 ] - [ 0.0005886100000000, 0.0002686000000000, -0.0002387500000000 ] - [ -0.0005198500000000, -0.0003523800000000, 0.0002143800000000 ] - [ 0.0000400500000000, 0.0002877500000000, 0.0004399400000000 ] - [ -0.0002551200000000, -0.0001753100000000, -0.0002792300000000 ] - [ -0.0003936800000000, -0.0000259900000000, -0.0006668800000000 ] - [ 0.0003677100000000, -0.0000199100000000, 0.0006795500000000 ] - [ 0.0001267200000000, -0.0003611100000000, -0.0000398800000000 ] - [ -0.0000711100000000, 0.0003146300000000, -0.0000529800000000 ] - [ 0.0002953400000000, -0.0001272000000000, 0.0003930200000000 ] - [ -0.0004340400000000, 0.0000806400000000, -0.0002706300000000 ] - [ 0.0001246200000000, 0.0003713900000000, -0.0003966900000000 ] - [ -0.0000508600000000, -0.0002816400000000, 0.0001787300000000 ] - [ 0.0005974900000000, 0.0001809300000000, 0.0002294500000000 ] - [ -0.0004381200000000, -0.0002156300000000, -0.0000377600000000 ] - [ 0.0000061600000000, 0.0003713900000000, 0.0001506300000000 ] - [ -0.0001254000000000, -0.0002157700000000, -0.0002133200000000 ] - [ 0.0007311000000000, -0.0002538500000000, -0.0006452700000000 ] - [ -0.0004895300000000, 0.0002744000000000, 0.0005865100000000 ] - [ -0.0001698100000000, 0.0000675100000000, -0.0001635900000000 ] - [ 0.0000579700000000, -0.0001731200000000, 0.0000968400000000 ] - [ 0.0013893000000000, 0.0005281700000000, 0.0016508200000000 ] - [ -0.0010169800000000, -0.0000257600000000, -0.0005573400000000 ] - [ 0.0003003400000000, 0.0008169000000000, -0.0014161700000000 ] - [ -0.0005324800000000, -0.0006671600000000, 0.0007976900000000 ] - [ -0.0014814800000000, 0.0004368800000000, 0.0019477100000000 ] - [ 0.0005763700000000, -0.0006796000000000, -0.0025363200000000 ] - [ 0.0003540900000000, -0.0002686400000000, 0.0002626200000000 ] - [ -0.0002136200000000, 0.0001569600000000, -0.0003210200000000 ] - [ -0.0000929600000000, 0.0010461600000000, 0.0003234100000000 ] - [ -0.0002375400000000, -0.0009118400000000, -0.0005078100000000 ] - [ 0.0020564700000000, -0.0007675700000000, 0.0009120700000000 ] - [ -0.0010601900000000, 0.0000276500000000, -0.0004511100000000 ] - [ 0.0035414100000000, -0.0058059000000000, -0.0049290400000000 ] - [ 0.0035731000000000, 0.0042966100000000, 0.0043962100000000 ] - [ -0.0052014900000000, -0.0007013400000000, 0.0005315300000000 ] - [ 0.0019628600000000, 0.0003956400000000, 0.0000129900000000 ] - [ 0.0029293000000000, -0.0036400300000000, 0.0039558100000000 ] - [ 0.0029251000000000, 0.0052767100000000, -0.0043747200000000 ] - [ -0.0047868600000000, 0.0008331600000000, 0.0004148100000000 ] - [ 0.0018591500000000, -0.0004277900000000, -0.0000126100000000 ] - [ -0.0077375600000000, -0.0002620400000000, -0.0000064900000000 ] - [ 0.0022720000000000, 0.0001780200000000, 0.0001611900000000 ] - [ 0.0003879900000000, -0.0011917000000000, -0.0007586800000000 ] - [ 0.0001429300000000, 0.0011204300000000, 0.0006453700000000 ] - [ -0.0002839300000000, -0.0000179800000000, -0.0000140300000000 ] - [ 0.0002846600000000, 0.0000268000000000, -0.0000503300000000 ] - [ 0.0000299300000000, -0.0001497400000000, -0.0000156100000000 ] - [ 0.0000045000000000, 0.0001589400000000, 0.0000235100000000 ] - [ -0.0001293200000000, 0.0000076600000000, 0.0000047100000000 ] - [ 0.0001047800000000, -0.0000428700000000, -0.0000054000000000 ] - [ 0.0000005800000000, -0.0000663700000000, -0.0000287000000000 ] - [ -0.0000004900000000, 0.0000829700000000, 0.0000080000000000 ] - [ -0.0009799500000000, 0.0006243400000000, 0.0010675400000000 ] - [ 0.0001878600000000, -0.0001986000000000, 0.0000028600000000 ] - [ 0.0023283900000000, -0.0010275500000000, 0.0039353500000000 ] - [ 0.0021127900000000, 0.0026586500000000, -0.0049962100000000 ] - [ -0.3870812700000000, -0.0023629800000000, 0.0004042300000000 ] - [ 0.0273491500000000, 0.0001750900000000, -0.0025274100000000 ] - [ 0.0044155300000000, -0.0134114700000000, 0.0011314100000000 ] - [ 0.0041348200000000, 0.0132488800000000, 0.0014266500000000 ] - [ -0.0181471300000000, -0.0002383900000000, -0.0168859300000000 ] - [ -0.0015327700000000, -0.0000259200000000, -0.0000052800000000 ] - [ 0.0694191600000000, -0.0500416900000000, 0.0037016000000000 ] - [ 0.0695226000000000, 0.0511358400000000, 0.0132600200000000 ] - [ -0.0014926900000000, 0.0003012700000000, 0.0003520900000000 ] - [ 0.0010922900000000, -0.0000351000000000, 0.0000080600000000 ] - [ 0.0000816900000000, -0.0014135200000000, -0.0024567200000000 ] - [ 0.0007754500000000, 0.0008080900000000, 0.0021211900000000 ] - [ 0.0004914600000000, -0.0013456200000000, 0.0012358600000000 ] - [ -0.0001993000000000, 0.0017449900000000, -0.0014769000000000 ] - [ -0.0025276100000000, -0.0004024800000000, 0.0002185700000000 ] - [ 0.0018047200000000, 0.0000022800000000, -0.0000073400000000 ] - [ 0.0000760600000000, -0.0012087900000000, -0.0015211100000000 ] - [ 0.0007789500000000, 0.0010101400000000, 0.0012970000000000 ] - [ -0.0014959000000000, 0.0005061500000000, 0.0002475100000000 ] - [ 0.0010904300000000, 0.0000380700000000, 0.0000079400000000 ] - [ -0.0037149800000000, -0.0000008600000000, -0.0000071200000000 ] - [ 0.0027080200000000, 0.0001830400000000, -0.0002571000000000 ] - [ 0.0003173700000000, -0.0015666300000000, 0.0004793000000000 ] - [ -0.0000014900000000, 0.0013798300000000, -0.0002541300000000 ]- atom: 97 displacement: [ -0.0100000000000000, -0.0000000001499599, 0.0000000000000000 ] forces: - [ -0.0492936500000000, 0.0319476800000000, -0.0240992400000000 ] - [ 0.0145102500000000, -0.0000231400000000, -0.0010852500000000 ] - [ -0.0023421100000000, -0.0030370800000000, -0.0012791100000000 ] - [ -0.0002359700000000, 0.0032625000000000, -0.0003990200000000 ] - [ -0.0357737900000000, -0.0164823400000000, -0.0233940200000000 ] - [ 0.0043103800000000, -0.0017567500000000, 0.0004697600000000 ] - [ 0.0043745900000000, -0.0061942000000000, 0.0012827700000000 ] - [ 0.0026813000000000, 0.0142586200000000, -0.0010608900000000 ] - [ -0.0810435600000000, -0.0034884000000000, 0.0450705900000000 ] - [ 0.0152081100000000, 0.0011922300000000, 0.0022861400000000 ] - [ -0.0022879100000000, -0.0032111700000000, -0.0000896200000000 ] - [ 0.0040998200000000, 0.0056041700000000, -0.0002113600000000 ] - [ -0.0637391400000000, 0.0012291900000000, 0.0380470400000000 ] - [ 0.0146278000000000, -0.0011478900000000, 0.0028755400000000 ] - [ 0.0040208900000000, -0.0053604300000000, -0.0004880500000000 ] - [ -0.0023104600000000, 0.0031023400000000, 0.0001035400000000 ] - [ -0.0407276900000000, -0.0190648200000000, -0.0151061500000000 ] - [ 0.0134045300000000, 0.0003261900000000, -0.0008711100000000 ] - [ -0.0000854700000000, -0.0033224500000000, -0.0003987200000000 ] - [ -0.0019645000000000, 0.0030052800000000, -0.0014944900000000 ] - [ -0.0337184500000000, 0.0088093600000000, -0.0208834800000000 ] - [ 0.0043931000000000, 0.0018163400000000, 0.0002984900000000 ] - [ 0.0028042700000000, -0.0134235600000000, -0.0013490500000000 ] - [ 0.0038292200000000, 0.0056435000000000, 0.0013518400000000 ] - [ 0.0008693200000000, -0.0005555400000000, 0.0003283600000000 ] - [ -0.0014167700000000, 0.0011426700000000, -0.0007056300000000 ] - [ -0.0006099300000000, 0.0005433100000000, 0.0017652500000000 ] - [ 0.0008744700000000, -0.0004433300000000, -0.0008468400000000 ] - [ 0.0003924500000000, -0.0004390900000000, 0.0021144900000000 ] - [ 0.0005000300000000, 0.0002981000000000, -0.0024913000000000 ] - [ -0.0003600300000000, -0.0002703400000000, -0.0000434100000000 ] - [ 0.0001803400000000, 0.0002367900000000, 0.0002268400000000 ] - [ -0.0002513900000000, -0.0005589300000000, 0.0007241600000000 ] - [ 0.0005130600000000, 0.0006339400000000, -0.0002934200000000 ] - [ -0.0018702000000000, -0.0012271800000000, -0.0014140600000000 ] - [ 0.0011305800000000, 0.0004813900000000, 0.0006132100000000 ] - [ 0.0001865200000000, -0.0002040900000000, 0.0001768000000000 ] - [ -0.0000979200000000, 0.0002443700000000, -0.0002243200000000 ] - [ -0.0007305000000000, 0.0000652300000000, 0.0004425900000000 ] - [ 0.0005851900000000, -0.0002311700000000, -0.0003301800000000 ] - [ -0.0005949100000000, -0.0002593600000000, 0.0002470200000000 ] - [ 0.0005127200000000, 0.0003612700000000, -0.0002076900000000 ] - [ -0.0000477300000000, -0.0002782200000000, -0.0004316400000000 ] - [ 0.0002490000000000, 0.0001847000000000, 0.0002867600000000 ] - [ 0.0004062200000000, 0.0000273900000000, 0.0006744100000000 ] - [ -0.0003563600000000, 0.0000215400000000, -0.0006701600000000 ] - [ -0.0001148200000000, 0.0003626300000000, 0.0000485100000000 ] - [ 0.0000829400000000, -0.0003150500000000, 0.0000622100000000 ] - [ -0.0002837200000000, 0.0001524700000000, -0.0004150600000000 ] - [ 0.0004432600000000, -0.0000542800000000, 0.0002486800000000 ] - [ -0.0001141500000000, -0.0003448700000000, 0.0003736100000000 ] - [ 0.0000615600000000, 0.0003068100000000, -0.0002014200000000 ] - [ -0.0006109200000000, -0.0001858400000000, -0.0002428700000000 ] - [ 0.0004260800000000, 0.0002108800000000, 0.0000263700000000 ] - [ -0.0000191400000000, -0.0003761800000000, -0.0001642600000000 ] - [ 0.0001109700000000, 0.0002126500000000, 0.0001989000000000 ] - [ -0.0007221700000000, 0.0002482100000000, 0.0006360400000000 ] - [ 0.0005009800000000, -0.0002810900000000, -0.0005962100000000 ] - [ 0.0001788300000000, -0.0000762600000000, 0.0001518000000000 ] - [ -0.0000465400000000, 0.0001670300000000, -0.0001079900000000 ] - [ -0.0013925900000000, -0.0005527600000000, -0.0016280500000000 ] - [ 0.0010036500000000, 0.0000001000000000, 0.0005876200000000 ] - [ -0.0003127100000000, -0.0008413900000000, 0.0014375400000000 ] - [ 0.0005230500000000, 0.0006387800000000, -0.0007746300000000 ] - [ 0.0014729500000000, -0.0004290500000000, -0.0019321200000000 ] - [ -0.0005935900000000, 0.0006874000000000, 0.0025502100000000 ] - [ -0.0003637100000000, 0.0002772900000000, -0.0002510100000000 ] - [ 0.0002031200000000, -0.0001516600000000, 0.0003310000000000 ] - [ 0.0001083900000000, -0.0010393800000000, -0.0003076700000000 ] - [ 0.0002472200000000, 0.0009159900000000, 0.0005180200000000 ] - [ -0.0020396700000000, 0.0007713700000000, -0.0008967300000000 ] - [ 0.0010748800000000, -0.0000265300000000, 0.0004698200000000 ] - [ -0.0035364600000000, 0.0057648500000000, 0.0049135000000000 ] - [ -0.0035948000000000, -0.0043513700000000, -0.0044149500000000 ] - [ 0.0051854100000000, 0.0006822400000000, -0.0004996000000000 ] - [ -0.0019757800000000, -0.0004006700000000, 0.0000129900000000 ] - [ -0.0029199900000000, 0.0036273400000000, -0.0039444500000000 ] - [ -0.0029298300000000, -0.0052798300000000, 0.0043840200000000 ] - [ 0.0047969600000000, -0.0008164700000000, -0.0004438000000000 ] - [ -0.0018519700000000, 0.0004543200000000, -0.0000125900000000 ] - [ 0.0077382500000000, 0.0002373000000000, -0.0000066300000000 ] - [ -0.0022745000000000, -0.0001954500000000, -0.0001211500000000 ] - [ -0.0003986500000000, 0.0011765000000000, 0.0007876100000000 ] - [ -0.0001492200000000, -0.0011383100000000, -0.0006188500000000 ] - [ 0.0002963400000000, 0.0000332300000000, -0.0000142100000000 ] - [ -0.0002716100000000, -0.0000113700000000, 0.0000219700000000 ] - [ -0.0000176000000000, 0.0001650700000000, -0.0000128700000000 ] - [ 0.0000083300000000, -0.0001432400000000, -0.0000521400000000 ] - [ 0.0001202300000000, -0.0000210500000000, -0.0000155500000000 ] - [ -0.0001132500000000, 0.0000290100000000, -0.0000051200000000 ] - [ -0.0000088300000000, 0.0000530200000000, 0.0000183700000000 ] - [ -0.0000087300000000, -0.0000960300000000, -0.0000180700000000 ] - [ 0.0009847500000000, -0.0006064900000000, -0.0010490800000000 ] - [ -0.0001791600000000, 0.0002079200000000, 0.0000028000000000 ] - [ -0.0023159600000000, 0.0010540800000000, -0.0039374000000000 ] - [ -0.0020955300000000, -0.0026395400000000, 0.0049925900000000 ] - [ 0.3858216400000000, -0.0023640600000000, 0.0003029600000000 ] - [ -0.0273605800000000, -0.0001889600000000, 0.0025496000000000 ] - [ -0.0044414000000000, 0.0134253500000000, -0.0011254600000000 ] - [ -0.0040913500000000, -0.0132238600000000, -0.0013926000000000 ] - [ 0.0181393100000000, 0.0004698900000000, 0.0168679400000000 ] - [ 0.0015299900000000, -0.0000259400000000, -0.0000051500000000 ] - [ -0.0701307600000000, 0.0507725100000000, -0.0036272400000000 ] - [ -0.0688011300000000, -0.0503869100000000, -0.0131632600000000 ] - [ 0.0014986800000000, -0.0002997600000000, -0.0003447300000000 ] - [ -0.0010878900000000, 0.0000321600000000, 0.0000080800000000 ] - [ -0.0000745500000000, 0.0014140400000000, 0.0024696200000000 ] - [ -0.0007762800000000, -0.0008044500000000, -0.0021083400000000 ] - [ -0.0005017700000000, 0.0013411600000000, -0.0012506600000000 ] - [ 0.0002000800000000, -0.0017458000000000, 0.0014632300000000 ] - [ 0.0025254600000000, 0.0004014200000000, -0.0002351000000000 ] - [ -0.0018089200000000, 0.0000025600000000, -0.0000073600000000 ] - [ -0.0000800400000000, 0.0012094700000000, 0.0015354300000000 ] - [ -0.0007726300000000, -0.0010117500000000, -0.0012823700000000 ] - [ 0.0014955900000000, -0.0005040400000000, -0.0002300700000000 ] - [ -0.0010894200000000, -0.0000293500000000, 0.0000079400000000 ] - [ 0.0037152500000000, -0.0000010200000000, -0.0000073000000000 ] - [ -0.0027095000000000, -0.0001853300000000, 0.0002305800000000 ] - [ -0.0003187600000000, 0.0015625200000000, -0.0004978500000000 ] - [ 0.0000007100000000, -0.0013807500000000, 0.0002350300000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0141708400000000, -0.0350138100000000, 0.0625330600000000 ] - [ 0.0066718700000000, 0.0006617700000000, 0.0032988600000000 ] - [ 0.0028594700000000, -0.0020472900000000, 0.0067731700000000 ] - [ -0.0011845400000000, -0.0002468100000000, 0.0024989200000000 ] - [ 0.0232374300000000, 0.0297792100000000, 0.0625330600000000 ] - [ 0.0008060100000000, -0.0009024400000000, 0.0024989200000000 ] - [ -0.0039090400000000, 0.0054471200000000, 0.0032988600000000 ] - [ 0.0003432600000000, 0.0035000200000000, 0.0067731700000000 ] - [ -0.0374082700000000, 0.0052346000000000, 0.0625330600000000 ] - [ -0.0032027400000000, -0.0014527300000000, 0.0067731700000000 ] - [ 0.0003785300000000, 0.0011492500000000, 0.0024989200000000 ] - [ -0.0027628300000000, -0.0061088900000000, 0.0032988600000000 ] - [ -0.0320118500000000, -0.0074148400000000, 0.0638640900000000 ] - [ -0.0026782300000000, 0.0010964800000000, 0.0069904200000000 ] - [ -0.0027358800000000, 0.0056399400000000, 0.0037655000000000 ] - [ 0.0005287400000000, -0.0012906500000000, 0.0023998500000000 ] - [ 0.0095844800000000, 0.0314305000000000, 0.0638640900000000 ] - [ 0.0062522700000000, -0.0004506300000000, 0.0037655000000000 ] - [ -0.0013821100000000, 0.0001874200000000, 0.0023998500000000 ] - [ 0.0022886900000000, 0.0017711800000000, 0.0069904200000000 ] - [ 0.0224273700000000, -0.0240156600000000, 0.0638640900000000 ] - [ 0.0008533700000000, 0.0011032300000000, 0.0023998500000000 ] - [ 0.0003895400000000, -0.0028676600000000, 0.0069904200000000 ] - [ -0.0035163900000000, -0.0051893100000000, 0.0037655000000000 ] - [ -0.0005112000000000, 0.0003625300000000, -0.0005737200000000 ] - [ 0.0007970500000000, 0.0013507900000000, -0.0027091400000000 ] - [ -0.0002729400000000, -0.0004858700000000, -0.0015928200000000 ] - [ 0.0003832700000000, -0.0001389400000000, -0.0006696200000000 ] - [ -0.0015683400000000, 0.0000148700000000, -0.0027091400000000 ] - [ 0.0005572500000000, 0.0000065600000000, -0.0015928200000000 ] - [ -0.0000583600000000, -0.0006239800000000, -0.0005737200000000 ] - [ -0.0000713100000000, 0.0004013900000000, -0.0006696200000000 ] - [ -0.0002843100000000, 0.0004793100000000, -0.0015928200000000 ] - [ 0.0005695600000000, 0.0002614500000000, -0.0005737200000000 ] - [ 0.0007712900000000, -0.0013656600000000, -0.0027091400000000 ] - [ -0.0003119600000000, -0.0002624500000000, -0.0006696200000000 ] - [ -0.0001224000000000, 0.0001855800000000, -0.0011067300000000 ] - [ 0.0002670400000000, 0.0005498700000000, -0.0017761900000000 ] - [ -0.0000368200000000, 0.0000432500000000, -0.0015733200000000 ] - [ 0.0001765900000000, 0.0000357200000000, -0.0011062500000000 ] - [ 0.0000558600000000, 0.0000102600000000, -0.0015733200000000 ] - [ 0.0002219200000000, 0.0000132100000000, -0.0011067300000000 ] - [ 0.0003426800000000, -0.0005062000000000, -0.0017761900000000 ] - [ -0.0000573700000000, -0.0001707900000000, -0.0011062500000000 ] - [ -0.0006097200000000, -0.0000436700000000, -0.0017761900000000 ] - [ -0.0000190500000000, -0.0000535100000000, -0.0015733200000000 ] - [ -0.0000995200000000, -0.0001987900000000, -0.0011067300000000 ] - [ -0.0001192300000000, 0.0001350800000000, -0.0011062500000000 ] - [ 0.0005485100000000, 0.0003259700000000, -0.0020793800000000 ] - [ -0.0005527200000000, 0.0002432200000000, -0.0012267800000000 ] - [ 0.0000798700000000, 0.0003274300000000, -0.0012407400000000 ] - [ 0.0001898900000000, 0.0000101600000000, -0.0010502400000000 ] - [ -0.0005565500000000, 0.0003120400000000, -0.0020793800000000 ] - [ -0.0001037400000000, 0.0001593700000000, -0.0010502400000000 ] - [ 0.0000657300000000, -0.0006002800000000, -0.0012267800000000 ] - [ -0.0003235000000000, -0.0000945500000000, -0.0012407400000000 ] - [ 0.0000080400000000, -0.0006380100000000, -0.0020793800000000 ] - [ 0.0002436300000000, -0.0002328800000000, -0.0012407400000000 ] - [ -0.0000861400000000, -0.0001695300000000, -0.0010502400000000 ] - [ 0.0004869900000000, 0.0003570600000000, -0.0012267800000000 ] - [ 0.0015655500000000, -0.0006791800000000, -0.0034930100000000 ] - [ -0.0006058500000000, 0.0000056700000000, -0.0004623800000000 ] - [ -0.0005995000000000, 0.0010206600000000, -0.0010795600000000 ] - [ 0.0002424600000000, 0.0000956000000000, -0.0005672700000000 ] - [ 0.0011836600000000, 0.0000088600000000, -0.0010795600000000 ] - [ -0.0013709600000000, -0.0010162200000000, -0.0034930100000000 ] - [ 0.0003078400000000, 0.0005218500000000, -0.0004623800000000 ] - [ -0.0000384400000000, -0.0002577800000000, -0.0005672700000000 ] - [ 0.0002980100000000, -0.0005275200000000, -0.0004623800000000 ] - [ -0.0005841600000000, -0.0010295100000000, -0.0010795600000000 ] - [ -0.0001945900000000, 0.0016954000000000, -0.0034930100000000 ] - [ -0.0002040200000000, 0.0001621800000000, -0.0005672700000000 ] - [ -0.0041443700000000, 0.0030288000000000, 0.0013390400000000 ] - [ 0.0046952000000000, 0.0020747300000000, 0.0013390400000000 ] - [ -0.0005508300000000, -0.0051035300000000, 0.0013390400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002001000000000 ] - [ 0.0042998400000000, -0.0016920600000000, 0.0015460800000000 ] - [ -0.0036152900000000, -0.0028777400000000, 0.0015460800000000 ] - [ -0.0006845500000000, 0.0045698000000000, 0.0015460800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001206200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0173357800000000 ] - [ -0.0002636600000000, -0.0001597900000000, 0.0000008400000000 ] - [ 0.0002702100000000, -0.0001484400000000, 0.0000008400000000 ] - [ -0.0000065500000000, 0.0003082300000000, 0.0000008400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016981300000000 ] - [ 0.0000377100000000, -0.0000279100000000, 0.0013512600000000 ] - [ 0.0000053200000000, 0.0000466100000000, 0.0013512600000000 ] - [ -0.0000430200000000, -0.0000187000000000, 0.0013512600000000 ] - [ 0.0000085900000000, 0.0001297000000000, 0.0014851000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013240800000000 ] - [ 0.0001080300000000, -0.0000722900000000, 0.0014851000000000 ] - [ -0.0001166200000000, -0.0000574100000000, 0.0014851000000000 ] - [ -0.0003952200000000, 0.0026963100000000, 0.0017557700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004315600000000 ] - [ 0.0025326800000000, -0.0010058800000000, 0.0017557700000000 ] - [ -0.0021374600000000, -0.0016904300000000, 0.0017557700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3019267400000000 ] - [ -0.0025416600000000, 0.0001678000000000, -0.0109268900000000 ] - [ 0.0011255100000000, -0.0022850400000000, -0.0109268900000000 ] - [ 0.0014161500000000, 0.0021172400000000, -0.0109268900000000 ] - [ -0.0168808500000000, -0.0054846200000000, -0.0449486300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0065459100000000 ] - [ 0.0036906000000000, 0.0173615600000000, -0.0449486300000000 ] - [ 0.0131902500000000, -0.0118769300000000, -0.0449486300000000 ] - [ 0.0002431900000000, -0.0016361900000000, 0.0030868200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016913600000000 ] - [ -0.0015385800000000, 0.0006074900000000, 0.0030868200000000 ] - [ 0.0012953900000000, 0.0010287000000000, 0.0030868200000000 ] - [ 0.0012478200000000, -0.0009873700000000, 0.0030042100000000 ] - [ -0.0014790000000000, -0.0005869600000000, 0.0030042100000000 ] - [ 0.0002311800000000, 0.0015743300000000, 0.0030042100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019390400000000 ] - [ -0.0024456100000000, 0.0010151700000000, 0.0030866400000000 ] - [ 0.0021019600000000, 0.0016103700000000, 0.0030866400000000 ] - [ 0.0003436400000000, -0.0026255400000000, 0.0030866400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017013100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0065362200000000 ] - [ -0.0002446600000000, -0.0004202000000000, 0.0017360200000000 ] - [ 0.0004862300000000, -0.0000017800000000, 0.0017360200000000 ] - [ -0.0002415800000000, 0.0004219800000000, 0.0017360200000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0152543900000000, 0.0364310300000000, -0.0632578900000000 ] - [ -0.0066355900000000, -0.0006388900000000, -0.0033145200000000 ] - [ -0.0028202600000000, 0.0020617000000000, -0.0068126500000000 ] - [ 0.0011874400000000, 0.0002668200000000, -0.0025183500000000 ] - [ -0.0239230000000000, -0.0314262000000000, -0.0632578900000000 ] - [ -0.0008247900000000, 0.0008949400000000, -0.0025183500000000 ] - [ 0.0038710900000000, -0.0054271400000000, -0.0033145200000000 ] - [ -0.0003753600000000, -0.0034732700000000, -0.0068126500000000 ] - [ 0.0391773900000000, -0.0050048200000000, -0.0632578900000000 ] - [ 0.0031956200000000, 0.0014115600000000, -0.0068126500000000 ] - [ -0.0003626400000000, -0.0011617600000000, -0.0025183500000000 ] - [ 0.0027645000000000, 0.0060660400000000, -0.0033145200000000 ] - [ 0.0300278900000000, 0.0076178100000000, -0.0626234100000000 ] - [ 0.0026951300000000, -0.0011378900000000, -0.0069506200000000 ] - [ 0.0027361000000000, -0.0056677900000000, -0.0037574300000000 ] - [ -0.0005385500000000, 0.0012793100000000, -0.0023899300000000 ] - [ -0.0084167200000000, -0.0298138200000000, -0.0626234100000000 ] - [ -0.0062765000000000, 0.0004643700000000, -0.0037574300000000 ] - [ 0.0013771900000000, -0.0001732500000000, -0.0023899300000000 ] - [ -0.0023330100000000, -0.0017651100000000, -0.0069506200000000 ] - [ -0.0216111600000000, 0.0221960100000000, -0.0626234100000000 ] - [ -0.0008386400000000, -0.0011060500000000, -0.0023899300000000 ] - [ -0.0003621300000000, 0.0029030000000000, -0.0069506200000000 ] - [ 0.0035404100000000, 0.0052034300000000, -0.0037574300000000 ] - [ 0.0005120900000000, -0.0003491300000000, 0.0005787400000000 ] - [ -0.0007841100000000, -0.0013235000000000, 0.0026929700000000 ] - [ 0.0002742600000000, 0.0004939000000000, 0.0015958700000000 ] - [ -0.0003748100000000, 0.0001485400000000, 0.0006753800000000 ] - [ 0.0015382400000000, -0.0000173100000000, 0.0026929700000000 ] - [ -0.0005648600000000, -0.0000094300000000, 0.0015958700000000 ] - [ 0.0000463100000000, 0.0006180500000000, 0.0005787400000000 ] - [ 0.0000587700000000, -0.0003988700000000, 0.0006753800000000 ] - [ 0.0002906000000000, -0.0004844700000000, 0.0015958700000000 ] - [ -0.0005584000000000, -0.0002689200000000, 0.0005787400000000 ] - [ -0.0007541300000000, 0.0013408100000000, 0.0026929700000000 ] - [ 0.0003160400000000, 0.0002503300000000, 0.0006753800000000 ] - [ 0.0001129000000000, -0.0001999800000000, 0.0011202800000000 ] - [ -0.0002726600000000, -0.0005591100000000, 0.0017823400000000 ] - [ 0.0000262900000000, -0.0000616700000000, 0.0015868300000000 ] - [ -0.0001834400000000, -0.0000522800000000, 0.0011205200000000 ] - [ -0.0000665600000000, 0.0000080700000000, 0.0015868300000000 ] - [ -0.0002296400000000, 0.0000022200000000, 0.0011202800000000 ] - [ -0.0003478700000000, 0.0005156900000000, 0.0017823400000000 ] - [ 0.0000464500000000, 0.0001850000000000, 0.0011205200000000 ] - [ 0.0006205400000000, 0.0000434200000000, 0.0017823400000000 ] - [ 0.0000402600000000, 0.0000536100000000, 0.0015868300000000 ] - [ 0.0001167400000000, 0.0001977600000000, 0.0011202800000000 ] - [ 0.0001369900000000, -0.0001327200000000, 0.0011205200000000 ] - [ -0.0005506600000000, -0.0003108600000000, 0.0020739200000000 ] - [ 0.0005656600000000, -0.0002273600000000, 0.0012116300000000 ] - [ -0.0000739700000000, -0.0003106700000000, 0.0012230100000000 ] - [ -0.0001870500000000, 0.0000086900000000, 0.0010324800000000 ] - [ 0.0005445500000000, -0.0003214500000000, 0.0020739200000000 ] - [ 0.0000860000000000, -0.0001663400000000, 0.0010324800000000 ] - [ -0.0000859300000000, 0.0006035500000000, 0.0012116300000000 ] - [ 0.0003060400000000, 0.0000912700000000, 0.0012230100000000 ] - [ 0.0000061100000000, 0.0006323200000000, 0.0020739200000000 ] - [ -0.0002320600000000, 0.0002194000000000, 0.0012230100000000 ] - [ 0.0001010500000000, 0.0001576500000000, 0.0010324800000000 ] - [ -0.0004797300000000, -0.0003762000000000, 0.0012116300000000 ] - [ -0.0015935400000000, 0.0006757900000000, 0.0035405900000000 ] - [ 0.0006074400000000, -0.0000225800000000, 0.0004712000000000 ] - [ 0.0006028900000000, -0.0010446000000000, 0.0010885800000000 ] - [ -0.0002500200000000, -0.0001112600000000, 0.0005736400000000 ] - [ -0.0012060900000000, 0.0000001800000000, 0.0010885800000000 ] - [ 0.0013820200000000, 0.0010421600000000, 0.0035405900000000 ] - [ -0.0003232800000000, -0.0005147600000000, 0.0004712000000000 ] - [ 0.0000286500000000, 0.0002721500000000, 0.0005736400000000 ] - [ -0.0002841600000000, 0.0005373500000000, 0.0004712000000000 ] - [ 0.0006032000000000, 0.0010444100000000, 0.0010885800000000 ] - [ 0.0002115200000000, -0.0017179400000000, 0.0035405900000000 ] - [ 0.0002213700000000, -0.0001608900000000, 0.0005736400000000 ] - [ 0.0041812000000000, -0.0030426000000000, -0.0012958400000000 ] - [ -0.0047255700000000, -0.0020997300000000, -0.0012958400000000 ] - [ 0.0005443700000000, 0.0051423300000000, -0.0012958400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002408600000000 ] - [ -0.0042723600000000, 0.0016702900000000, -0.0015816500000000 ] - [ 0.0035827000000000, 0.0028648300000000, -0.0015816500000000 ] - [ 0.0006896600000000, -0.0045351200000000, -0.0015816500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000807300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0170024300000000 ] - [ 0.0002648600000000, 0.0001608600000000, 0.0000139300000000 ] - [ -0.0002717300000000, 0.0001489500000000, 0.0000139300000000 ] - [ 0.0000068700000000, -0.0003098000000000, 0.0000139300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017276400000000 ] - [ -0.0000374500000000, 0.0000282500000000, -0.0013800900000000 ] - [ -0.0000057400000000, -0.0000465600000000, -0.0013800900000000 ] - [ 0.0000431900000000, 0.0000183100000000, -0.0013800900000000 ] - [ -0.0000083700000000, -0.0001323400000000, -0.0014959700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013348100000000 ] - [ -0.0001104200000000, 0.0000734200000000, -0.0014959700000000 ] - [ 0.0001187900000000, 0.0000589200000000, -0.0014959700000000 ] - [ 0.0003900600000000, -0.0027207700000000, -0.0017342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004545100000000 ] - [ -0.0025512800000000, 0.0010225900000000, -0.0017342600000000 ] - [ 0.0021612300000000, 0.0016981800000000, -0.0017342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3001546700000000 ] - [ 0.0025350400000000, -0.0001568900000000, 0.0109390900000000 ] - [ -0.0011316500000000, 0.0022738500000000, 0.0109390900000000 ] - [ -0.0014033900000000, -0.0021169700000000, 0.0109390900000000 ] - [ 0.0168728900000000, 0.0055389500000000, 0.0448873700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0065296500000000 ] - [ -0.0036395800000000, -0.0173818300000000, 0.0448873700000000 ] - [ -0.0132333100000000, 0.0118428800000000, 0.0448873700000000 ] - [ -0.0002344100000000, 0.0016175600000000, -0.0030751800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016845900000000 ] - [ 0.0015180500000000, -0.0006057700000000, -0.0030751800000000 ] - [ -0.0012836400000000, -0.0010117800000000, -0.0030751800000000 ] - [ -0.0012386500000000, 0.0009721400000000, -0.0030191000000000 ] - [ 0.0014612300000000, 0.0005866300000000, -0.0030191000000000 ] - [ -0.0002225700000000, -0.0015587800000000, -0.0030191000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019613100000000 ] - [ 0.0024809200000000, -0.0010242100000000, -0.0030760200000000 ] - [ -0.0021274500000000, -0.0016364300000000, -0.0030760200000000 ] - [ -0.0003534700000000, 0.0026606400000000, -0.0030760200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016749800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0066102700000000 ] - [ 0.0002432000000000, 0.0004270100000000, -0.0017469500000000 ] - [ -0.0004914000000000, -0.0000028900000000, -0.0017469500000000 ] - [ 0.0002482000000000, -0.0004241300000000, -0.0017469500000000 ]