# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e3f4f0a2-a1a6-43d4-91a4-d03f59803ad2/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 La2HgO4 / C2/m (12) / materials id 779287](https://mdr.nims.go.jp/datasets/32575ed7-c5d6-408f-8292-9bea4222b16f) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.991733720000000, -1.941994370000000, -0.022667110000000 ] # a - [ 6.991733720000000, 1.941994370000000, -0.022667110000000 ] # b - [ -5.241091870000000, 0.000000000000000, 8.902738820000000 ] # c points: - symbol: La # 1 coordinates: [ 0.380813410000000, 0.380813410000000, 0.043633560000000 ] mass: 138.905470 - symbol: La # 2 coordinates: [ 0.839041120000000, 0.839041120000000, 0.701328070000000 ] mass: 138.905470 - symbol: La # 3 coordinates: [ 0.160958880000000, 0.160958880000000, 0.298671930000000 ] mass: 138.905470 - symbol: La # 4 coordinates: [ 0.619186590000000, 0.619186590000000, 0.956366440000000 ] mass: 138.905470 - symbol: Hg # 5 coordinates: [ 0.116602360000000, 0.116602360000000, 0.664104920000000 ] mass: 200.590000 - symbol: Hg # 6 coordinates: [ 0.883397640000000, 0.883397640000000, 0.335895080000000 ] mass: 200.590000 - symbol: O # 7 coordinates: [ 0.772564130000000, 0.772564130000000, 0.889961150000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.203364810000000, 0.203364810000000, 0.559385710000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.963945930000000, 0.963945930000000, 0.222863280000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.418572920000000, 0.418572920000000, 0.845836810000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.581427080000000, 0.581427080000000, 0.154163190000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.036054070000000, 0.036054070000000, 0.777136720000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.796635190000000, 0.796635190000000, 0.440614290000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.227435870000000, 0.227435870000000, 0.110038850000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.071649769967499, -0.257467275767643, 0.042180618173412 ] # a* - [ 0.071649769967499, 0.257467275767643, 0.042180618173412 ] # b* - [ 0.000364852490939, 0.000000000000000, 0.112539775195158 ] # c*unit_cell: lattice: - [ 13.983467440000000, 0.000000000000000, -0.045334220000000 ] # a - [ 0.000000000000000, 3.883988740000000, 0.000000000000000 ] # b - [ -5.241091870000000, 0.000000000000000, 8.902738820000000 ] # c points: - symbol: La # 1 coordinates: [ 0.880813410000000, 0.500000000000000, 0.043633560000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.839041120000000, 0.000000000000000, 0.701328070000000 ] mass: 138.905470 reduced_to: 2 - symbol: La # 3 coordinates: [ 0.160958880000000, 0.000000000000000, 0.298671930000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 4 coordinates: [ 0.119186590000000, 0.500000000000000, 0.956366440000000 ] mass: 138.905470 reduced_to: 4 - symbol: La # 5 coordinates: [ 0.380813410000000, 0.000000000000000, 0.043633560000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 6 coordinates: [ 0.339041120000000, 0.500000000000000, 0.701328070000000 ] mass: 138.905470 reduced_to: 2 - symbol: La # 7 coordinates: [ 0.660958880000000, 0.500000000000000, 0.298671930000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 8 coordinates: [ 0.619186590000000, 0.000000000000000, 0.956366440000000 ] mass: 138.905470 reduced_to: 4 - symbol: Hg # 9 coordinates: [ 0.616602360000000, 0.500000000000000, 0.664104920000000 ] mass: 200.590000 reduced_to: 9 - symbol: Hg # 10 coordinates: [ 0.383397640000000, 0.500000000000000, 0.335895080000000 ] mass: 200.590000 reduced_to: 10 - symbol: Hg # 11 coordinates: [ 0.116602360000000, 0.000000000000000, 0.664104920000000 ] mass: 200.590000 reduced_to: 9 - symbol: Hg # 12 coordinates: [ 0.883397640000000, 0.000000000000000, 0.335895080000000 ] mass: 200.590000 reduced_to: 10 - symbol: O # 13 coordinates: [ 0.772564130000000, 0.000000000000000, 0.889961150000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.703364810000000, 0.500000000000000, 0.559385710000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.963945930000000, 0.000000000000000, 0.222863280000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.918572920000000, 0.500000000000000, 0.845836810000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.081427080000000, 0.500000000000000, 0.154163190000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.036054070000000, 0.000000000000000, 0.777136720000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.296635190000000, 0.500000000000000, 0.440614290000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.227435870000000, 0.000000000000000, 0.110038850000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.272564130000000, 0.500000000000000, 0.889961150000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 22 coordinates: [ 0.203364810000000, 0.000000000000000, 0.559385710000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 23 coordinates: [ 0.463945930000000, 0.500000000000000, 0.222863280000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 24 coordinates: [ 0.418572920000000, 0.000000000000000, 0.845836810000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 25 coordinates: [ 0.581427080000000, 0.000000000000000, 0.154163190000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 26 coordinates: [ 0.536054070000000, 0.500000000000000, 0.777136720000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 27 coordinates: [ 0.796635190000000, 0.000000000000000, 0.440614290000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 28 coordinates: [ 0.727435870000000, 0.500000000000000, 0.110038850000000 ] mass: 15.999400 reduced_to: 20supercell: lattice: - [ 13.983467440000000, 0.000000000000000, -0.045334220000000 ] # a - [ 0.000000000000000, 11.651966220000000, 0.000000000000000 ] # b - [ -5.241091870000000, 0.000000000000000, 8.902738820000000 ] # c points: - symbol: La # 1 coordinates: [ 0.880813410000000, 0.166666666666667, 0.043633560000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.880813410000000, 0.500000000000000, 0.043633560000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 3 coordinates: [ 0.880813410000000, 0.833333333333333, 0.043633560000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 4 coordinates: [ 0.839041120000000, 0.000000000000000, 0.701328070000000 ] mass: 138.905470 reduced_to: 4 - symbol: La # 5 coordinates: [ 0.839041120000000, 0.333333333333333, 0.701328070000000 ] mass: 138.905470 reduced_to: 4 - symbol: La # 6 coordinates: [ 0.839041120000000, 0.666666666666667, 0.701328070000000 ] mass: 138.905470 reduced_to: 4 - symbol: La # 7 coordinates: [ 0.160958880000000, 0.000000000000000, 0.298671930000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 8 coordinates: [ 0.160958880000000, 0.333333333333333, 0.298671930000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 9 coordinates: [ 0.160958880000000, 0.666666666666667, 0.298671930000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 10 coordinates: [ 0.119186590000000, 0.166666666666667, 0.956366440000000 ] mass: 138.905470 reduced_to: 10 - symbol: La # 11 coordinates: [ 0.119186590000000, 0.500000000000000, 0.956366440000000 ] mass: 138.905470 reduced_to: 10 - symbol: La # 12 coordinates: [ 0.119186590000000, 0.833333333333333, 0.956366440000000 ] mass: 138.905470 reduced_to: 10 - symbol: La # 13 coordinates: [ 0.380813410000000, 0.000000000000000, 0.043633560000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 14 coordinates: [ 0.380813410000000, 0.333333333333333, 0.043633560000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 15 coordinates: [ 0.380813410000000, 0.666666666666667, 0.043633560000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 16 coordinates: [ 0.339041120000000, 0.166666666666667, 0.701328070000000 ] mass: 138.905470 reduced_to: 4 - symbol: La # 17 coordinates: [ 0.339041120000000, 0.500000000000000, 0.701328070000000 ] mass: 138.905470 reduced_to: 4 - symbol: La # 18 coordinates: [ 0.339041120000000, 0.833333333333333, 0.701328070000000 ] mass: 138.905470 reduced_to: 4 - symbol: La # 19 coordinates: [ 0.660958880000000, 0.166666666666667, 0.298671930000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 20 coordinates: [ 0.660958880000000, 0.500000000000000, 0.298671930000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 21 coordinates: [ 0.660958880000000, 0.833333333333333, 0.298671930000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 22 coordinates: [ 0.619186590000000, 0.000000000000000, 0.956366440000000 ] mass: 138.905470 reduced_to: 10 - symbol: La # 23 coordinates: [ 0.619186590000000, 0.333333333333333, 0.956366440000000 ] mass: 138.905470 reduced_to: 10 - symbol: La # 24 coordinates: [ 0.619186590000000, 0.666666666666667, 0.956366440000000 ] mass: 138.905470 reduced_to: 10 - symbol: Hg # 25 coordinates: [ 0.616602360000000, 0.166666666666667, 0.664104920000000 ] mass: 200.590000 reduced_to: 25 - symbol: Hg # 26 coordinates: [ 0.616602360000000, 0.500000000000000, 0.664104920000000 ] mass: 200.590000 reduced_to: 25 - symbol: Hg # 27 coordinates: [ 0.616602360000000, 0.833333333333333, 0.664104920000000 ] mass: 200.590000 reduced_to: 25 - symbol: Hg # 28 coordinates: [ 0.383397640000000, 0.166666666666667, 0.335895080000000 ] mass: 200.590000 reduced_to: 28 - symbol: Hg # 29 coordinates: [ 0.383397640000000, 0.500000000000000, 0.335895080000000 ] mass: 200.590000 reduced_to: 28 - symbol: Hg # 30 coordinates: [ 0.383397640000000, 0.833333333333333, 0.335895080000000 ] mass: 200.590000 reduced_to: 28 - symbol: Hg # 31 coordinates: [ 0.116602360000000, 0.000000000000000, 0.664104920000000 ] mass: 200.590000 reduced_to: 25 - symbol: Hg # 32 coordinates: [ 0.116602360000000, 0.333333333333333, 0.664104920000000 ] mass: 200.590000 reduced_to: 25 - symbol: Hg # 33 coordinates: [ 0.116602360000000, 0.666666666666667, 0.664104920000000 ] mass: 200.590000 reduced_to: 25 - symbol: Hg # 34 coordinates: [ 0.883397640000000, 0.000000000000000, 0.335895080000000 ] mass: 200.590000 reduced_to: 28 - symbol: Hg # 35 coordinates: [ 0.883397640000000, 0.333333333333333, 0.335895080000000 ] mass: 200.590000 reduced_to: 28 - symbol: Hg # 36 coordinates: [ 0.883397640000000, 0.666666666666667, 0.335895080000000 ] mass: 200.590000 reduced_to: 28 - symbol: O # 37 coordinates: [ 0.772564130000000, 0.000000000000000, 0.889961150000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.772564130000000, 0.333333333333333, 0.889961150000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.772564130000000, 0.666666666666667, 0.889961150000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.703364810000000, 0.166666666666667, 0.559385710000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.703364810000000, 0.500000000000000, 0.559385710000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 42 coordinates: [ 0.703364810000000, 0.833333333333333, 0.559385710000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 43 coordinates: [ 0.963945930000000, 0.000000000000000, 0.222863280000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.963945930000000, 0.333333333333333, 0.222863280000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.963945930000000, 0.666666666666667, 0.222863280000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.918572920000000, 0.166666666666667, 0.845836810000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.918572920000000, 0.500000000000000, 0.845836810000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 48 coordinates: [ 0.918572920000000, 0.833333333333333, 0.845836810000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 49 coordinates: [ 0.081427080000000, 0.166666666666667, 0.154163190000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.081427080000000, 0.500000000000000, 0.154163190000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.081427080000000, 0.833333333333333, 0.154163190000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.036054070000000, 0.000000000000000, 0.777136720000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.036054070000000, 0.333333333333333, 0.777136720000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 54 coordinates: [ 0.036054070000000, 0.666666666666667, 0.777136720000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 55 coordinates: [ 0.296635190000000, 0.166666666666667, 0.440614290000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.296635190000000, 0.500000000000000, 0.440614290000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.296635190000000, 0.833333333333333, 0.440614290000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.227435870000000, 0.000000000000000, 0.110038850000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.227435870000000, 0.333333333333333, 0.110038850000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 60 coordinates: [ 0.227435870000000, 0.666666666666667, 0.110038850000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 61 coordinates: [ 0.272564130000000, 0.166666666666667, 0.889961150000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 62 coordinates: [ 0.272564130000000, 0.500000000000000, 0.889961150000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 63 coordinates: [ 0.272564130000000, 0.833333333333333, 0.889961150000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 64 coordinates: [ 0.203364810000000, 0.000000000000000, 0.559385710000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 65 coordinates: [ 0.203364810000000, 0.333333333333333, 0.559385710000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 66 coordinates: [ 0.203364810000000, 0.666666666666667, 0.559385710000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 67 coordinates: [ 0.463945930000000, 0.166666666666667, 0.222863280000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 68 coordinates: [ 0.463945930000000, 0.500000000000000, 0.222863280000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 69 coordinates: [ 0.463945930000000, 0.833333333333333, 0.222863280000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 70 coordinates: [ 0.418572920000000, 0.000000000000000, 0.845836810000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 71 coordinates: [ 0.418572920000000, 0.333333333333333, 0.845836810000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 72 coordinates: [ 0.418572920000000, 0.666666666666667, 0.845836810000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 73 coordinates: [ 0.581427080000000, 0.000000000000000, 0.154163190000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.581427080000000, 0.333333333333333, 0.154163190000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 75 coordinates: [ 0.581427080000000, 0.666666666666667, 0.154163190000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 76 coordinates: [ 0.536054070000000, 0.166666666666667, 0.777136720000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 77 coordinates: [ 0.536054070000000, 0.500000000000000, 0.777136720000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 78 coordinates: [ 0.536054070000000, 0.833333333333333, 0.777136720000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 79 coordinates: [ 0.796635190000000, 0.000000000000000, 0.440614290000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 80 coordinates: [ 0.796635190000000, 0.333333333333333, 0.440614290000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 81 coordinates: [ 0.796635190000000, 0.666666666666667, 0.440614290000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 82 coordinates: [ 0.727435870000000, 0.166666666666667, 0.110038850000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 83 coordinates: [ 0.727435870000000, 0.500000000000000, 0.110038850000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 84 coordinates: [ 0.727435870000000, 0.833333333333333, 0.110038850000000 ] mass: 15.999400 reduced_to: 58born_effective_charge:- # 1 (La) - [ 4.106775870000000, -0.000000000000000, -0.376660940000000 ] - [ -0.000000000000000, 3.938239880000000, 0.000000000000000 ] - [ 0.037791430000000, 0.000000000000000, 3.947789480000000 ]- # 2 (La) - [ 4.118973200000000, -0.000000000000000, -0.003916680000000 ] - [ 0.000000000000000, 4.394608940000000, 0.000000000000000 ] - [ -0.278519140000000, -0.000000000000000, 4.071607290000000 ]- # 3 (La) - [ 4.118973200000000, -0.000000000000000, -0.003916680000000 ] - [ 0.000000000000000, 4.394608940000000, 0.000000000000000 ] - [ -0.278519140000000, -0.000000000000000, 4.071607290000000 ]- # 4 (La) - [ 4.106775870000000, -0.000000000000000, -0.376660940000000 ] - [ -0.000000000000000, 3.938239880000000, 0.000000000000000 ] - [ 0.037791430000000, 0.000000000000000, 3.947789480000000 ]- # 5 (Hg) - [ 2.319557950000000, 0.000000000000000, -0.715647870000000 ] - [ -0.000000000000000, 0.711424670000000, 0.000000000000000 ] - [ -0.771437290000000, -0.000000000000000, 1.526025520000000 ]- # 6 (Hg) - [ 2.319557950000000, 0.000000000000000, -0.715647870000000 ] - [ -0.000000000000000, 0.711424670000000, 0.000000000000000 ] - [ -0.771437290000000, -0.000000000000000, 1.526025520000000 ]- # 7 (O) - [ -2.682228390000000, 0.000000000000000, 0.230719910000000 ] - [ -0.000000000000000, -2.815261670000000, -0.000000000000000 ] - [ 0.176993480000000, 0.000000000000000, -2.526606300000000 ]- # 8 (O) - [ -2.326176190000000, -0.000000000000000, 0.485608690000000 ] - [ 0.000000000000000, -1.629851160000000, -0.000000000000000 ] - [ 0.640979220000000, 0.000000000000000, -2.549620440000000 ]- # 9 (O) - [ -2.721703460000000, -0.000000000000000, 0.304757840000000 ] - [ 0.000000000000000, -1.727548310000000, -0.000000000000000 ] - [ 0.265187830000000, 0.000000000000000, -1.968906230000000 ]- # 10 (O) - [ -2.815199000000000, 0.000000000000000, 0.075139060000000 ] - [ -0.000000000000000, -2.871612350000000, -0.000000000000000 ] - [ -0.070995520000000, 0.000000000000000, -2.500289300000000 ]- # 11 (O) - [ -2.815199000000000, 0.000000000000000, 0.075139060000000 ] - [ -0.000000000000000, -2.871612350000000, -0.000000000000000 ] - [ -0.070995520000000, 0.000000000000000, -2.500289300000000 ]- # 12 (O) - [ -2.721703460000000, -0.000000000000000, 0.304757840000000 ] - [ 0.000000000000000, -1.727548310000000, -0.000000000000000 ] - [ 0.265187830000000, 0.000000000000000, -1.968906230000000 ]- # 13 (O) - [ -2.326176190000000, -0.000000000000000, 0.485608690000000 ] - [ 0.000000000000000, -1.629851160000000, -0.000000000000000 ] - [ 0.640979220000000, 0.000000000000000, -2.549620440000000 ]- # 14 (O) - [ -2.682228390000000, 0.000000000000000, 0.230719910000000 ] - [ -0.000000000000000, -2.815261670000000, -0.000000000000000 ] - [ 0.176993480000000, 0.000000000000000, -2.526606300000000 ]dielectric_constant: - [ 5.005709490000000, 0.000000000000000, -0.299042240000000 ] - [ 0.000000000000000, 4.561107630000000, 0.000000000000000 ] - [ -0.299055880000000, 0.000000000000000, 4.754239200000000 ]displacements:- atom: 1 displacement: [ 0.0099999474480149, 0.0000000000000000, -0.0000324196998736 ] forces: - [ -0.1254350900000000, 0.0000000000000000, 0.0073158100000000 ] - [ -0.0064540800000000, -0.0018161200000000, -0.0024268400000000 ] - [ -0.0064540800000000, 0.0018161200000000, -0.0024268400000000 ] - [ -0.0071416300000000, -0.0124886600000000, -0.0104972200000000 ] - [ -0.0071416300000000, 0.0124886600000000, -0.0104972200000000 ] - [ -0.0018025900000000, 0.0000000000000000, -0.0013399800000000 ] - [ 0.0039198300000000, -0.0158773000000000, 0.0122089500000000 ] - [ 0.0039198300000000, 0.0158773000000000, 0.0122089500000000 ] - [ -0.0003127100000000, 0.0000000000000000, 0.0008359100000000 ] - [ 0.0271139700000000, 0.0000000000000000, -0.0078331400000000 ] - [ 0.0006112100000000, 0.0028041300000000, -0.0005467400000000 ] - [ 0.0006112100000000, -0.0028041300000000, -0.0005467400000000 ] - [ 0.0051131900000000, -0.0003771300000000, 0.0000250900000000 ] - [ 0.0051131900000000, 0.0003771300000000, 0.0000250900000000 ] - [ 0.0019948200000000, 0.0000000000000000, -0.0003053800000000 ] - [ 0.0032504100000000, 0.0000000000000000, 0.0030549800000000 ] - [ 0.0013285700000000, -0.0000891500000000, 0.0017737700000000 ] - [ 0.0013285700000000, 0.0000891500000000, 0.0017737700000000 ] - [ 0.0091323600000000, 0.0000000000000000, -0.0075341800000000 ] - [ 0.0016797400000000, -0.0016727700000000, -0.0011184300000000 ] - [ 0.0016797400000000, 0.0016727700000000, -0.0011184300000000 ] - [ 0.0168299100000000, 0.0165696100000000, 0.0081935200000000 ] - [ 0.0168299100000000, -0.0165696100000000, 0.0081935200000000 ] - [ 0.0005406300000000, 0.0000000000000000, 0.0009414100000000 ] - [ -0.0017214700000000, 0.0000000000000000, 0.0049628100000000 ] - [ -0.0005111600000000, -0.0007883400000000, 0.0006538500000000 ] - [ -0.0005111600000000, 0.0007883400000000, 0.0006538500000000 ] - [ 0.0029774800000000, 0.0000000000000000, 0.0006955000000000 ] - [ 0.0013574400000000, 0.0002825700000000, 0.0007214500000000 ] - [ 0.0013574400000000, -0.0002825700000000, 0.0007214500000000 ] - [ 0.0007765800000000, -0.0000081300000000, -0.0013257800000000 ] - [ 0.0007765800000000, 0.0000081300000000, -0.0013257800000000 ] - [ -0.0000507300000000, 0.0000000000000000, -0.0007971300000000 ] - [ -0.0015075000000000, 0.0051653200000000, -0.0050609400000000 ] - [ -0.0015075000000000, -0.0051653200000000, -0.0050609400000000 ] - [ -0.0003912100000000, 0.0000000000000000, 0.0002435900000000 ] - [ 0.0136796100000000, -0.0017749500000000, -0.0025390300000000 ] - [ 0.0136796100000000, 0.0017749500000000, -0.0025390300000000 ] - [ 0.0013992500000000, 0.0000000000000000, 0.0002544700000000 ] - [ 0.0028030300000000, 0.0000000000000000, 0.0029820300000000 ] - [ 0.0009978500000000, -0.0005468600000000, 0.0005502000000000 ] - [ 0.0009978500000000, 0.0005468600000000, 0.0005502000000000 ] - [ 0.0112886500000000, -0.0005621800000000, 0.0006526000000000 ] - [ 0.0112886500000000, 0.0005621800000000, 0.0006526000000000 ] - [ 0.0013557700000000, 0.0000000000000000, -0.0000366400000000 ] - [ 0.0239388000000000, 0.0000000000000000, -0.0045498500000000 ] - [ 0.0023808200000000, -0.0016405400000000, 0.0000394500000000 ] - [ 0.0023808200000000, 0.0016405400000000, 0.0000394500000000 ] - [ 0.0173817600000000, 0.0000000000000000, -0.0010422400000000 ] - [ 0.0014973300000000, -0.0031109300000000, 0.0007004900000000 ] - [ 0.0014973300000000, 0.0031109300000000, 0.0007004900000000 ] - [ -0.0013739600000000, 0.0026655100000000, 0.0029453100000000 ] - [ -0.0013739600000000, -0.0026655100000000, 0.0029453100000000 ] - [ 0.0003341100000000, 0.0000000000000000, 0.0013002900000000 ] - [ -0.0027271400000000, 0.0000000000000000, -0.0032660900000000 ] - [ -0.0010135100000000, -0.0013755500000000, -0.0013213500000000 ] - [ -0.0010135100000000, 0.0013755500000000, -0.0013213500000000 ] - [ -0.0049313200000000, 0.0035558600000000, -0.0012246100000000 ] - [ -0.0049313200000000, -0.0035558600000000, -0.0012246100000000 ] - [ -0.0012616300000000, 0.0000000000000000, -0.0007699600000000 ] - [ -0.0039736600000000, 0.0000000000000000, 0.0007520500000000 ] - [ -0.0008558200000000, -0.0002431500000000, 0.0003208000000000 ] - [ -0.0008558200000000, 0.0002431500000000, 0.0003208000000000 ] - [ -0.0004007300000000, 0.0001260300000000, -0.0020428600000000 ] - [ -0.0004007300000000, -0.0001260300000000, -0.0020428600000000 ] - [ -0.0003089100000000, 0.0000000000000000, -0.0005080700000000 ] - [ -0.0033677400000000, 0.0000000000000000, -0.0008838400000000 ] - [ -0.0017932300000000, 0.0001015700000000, -0.0005370100000000 ] - [ -0.0017932300000000, -0.0001015700000000, -0.0005370100000000 ] - [ -0.0034857900000000, -0.0001527200000000, -0.0011644900000000 ] - [ -0.0034857900000000, 0.0001527200000000, -0.0011644900000000 ] - [ -0.0010295100000000, 0.0000000000000000, -0.0001207300000000 ] - [ -0.0045995300000000, -0.0027910200000000, 0.0008305000000000 ] - [ -0.0045995300000000, 0.0027910200000000, 0.0008305000000000 ] - [ -0.0013822700000000, 0.0000000000000000, -0.0003867100000000 ] - [ -0.0025843500000000, 0.0000000000000000, -0.0036045600000000 ] - [ -0.0007405400000000, 0.0015513400000000, -0.0011203800000000 ] - [ -0.0007405400000000, -0.0015513400000000, -0.0011203800000000 ] - [ 0.0002497000000000, -0.0011604900000000, 0.0026188100000000 ] - [ 0.0002497000000000, 0.0011604900000000, 0.0026188100000000 ] - [ 0.0004029700000000, 0.0000000000000000, 0.0007306200000000 ] - [ -0.0006903400000000, 0.0000000000000000, 0.0043089600000000 ] - [ 0.0003053700000000, 0.0024271200000000, 0.0009909000000000 ] - [ 0.0003053700000000, -0.0024271200000000, 0.0009909000000000 ]- atom: 1 displacement: [ -0.0099999474480149, 0.0000000000000000, 0.0000324196998736 ] forces: - [ 0.1248224500000000, 0.0000000000000000, -0.0079772600000000 ] - [ 0.0068853600000000, 0.0017151700000000, 0.0014748200000000 ] - [ 0.0068853600000000, -0.0017151700000000, 0.0014748200000000 ] - [ 0.0062804500000000, 0.0124786800000000, 0.0104107400000000 ] - [ 0.0062804500000000, -0.0124786800000000, 0.0104107400000000 ] - [ 0.0009977500000000, 0.0000000000000000, 0.0012362500000000 ] - [ -0.0031381600000000, 0.0157320800000000, -0.0119861600000000 ] - [ -0.0031381600000000, -0.0157320800000000, -0.0119861600000000 ] - [ 0.0010810000000000, 0.0000000000000000, -0.0007350400000000 ] - [ -0.0271876200000000, 0.0000000000000000, 0.0086200400000000 ] - [ -0.0010750500000000, -0.0027869500000000, 0.0014783600000000 ] - [ -0.0010750500000000, 0.0027869500000000, 0.0014783600000000 ] - [ -0.0046681100000000, 0.0003694400000000, -0.0009675300000000 ] - [ -0.0046681100000000, -0.0003694400000000, -0.0009675300000000 ] - [ -0.0015470100000000, 0.0000000000000000, -0.0006362800000000 ] - [ -0.0040488400000000, 0.0000000000000000, -0.0031676200000000 ] - [ -0.0021165700000000, 0.0000984700000000, -0.0018816700000000 ] - [ -0.0021165700000000, -0.0000984700000000, -0.0018816700000000 ] - [ -0.0084180700000000, 0.0000000000000000, 0.0077174000000000 ] - [ -0.0008924700000000, 0.0016852900000000, 0.0012386700000000 ] - [ -0.0008924700000000, -0.0016852900000000, 0.0012386700000000 ] - [ -0.0174342600000000, -0.0168018300000000, -0.0073611300000000 ] - [ -0.0174342600000000, 0.0168018300000000, -0.0073611300000000 ] - [ -0.0009786700000000, 0.0000000000000000, -0.0000050100000000 ] - [ 0.0013156900000000, 0.0000000000000000, -0.0060999400000000 ] - [ 0.0000785000000000, 0.0007759200000000, -0.0017752200000000 ] - [ 0.0000785000000000, -0.0007759200000000, -0.0017752200000000 ] - [ -0.0025485800000000, 0.0000000000000000, 0.0004473500000000 ] - [ -0.0009162100000000, -0.0002801700000000, 0.0004184000000000 ] - [ -0.0009162100000000, 0.0002801700000000, 0.0004184000000000 ] - [ -0.0012220900000000, 0.0000072700000000, 0.0001846800000000 ] - [ -0.0012220900000000, -0.0000072700000000, 0.0001846800000000 ] - [ -0.0003915300000000, 0.0000000000000000, -0.0003430100000000 ] - [ 0.0020358300000000, -0.0051763700000000, 0.0061872700000000 ] - [ 0.0020358300000000, 0.0051763700000000, 0.0061872700000000 ] - [ 0.0008283100000000, 0.0000000000000000, 0.0008935600000000 ] - [ -0.0130477800000000, 0.0016034000000000, 0.0032756000000000 ] - [ -0.0130477800000000, -0.0016034000000000, 0.0032756000000000 ] - [ -0.0007058600000000, 0.0000000000000000, 0.0005924200000000 ] - [ -0.0033881000000000, 0.0000000000000000, -0.0030025700000000 ] - [ -0.0015785200000000, 0.0005517600000000, -0.0005740700000000 ] - [ -0.0015785200000000, -0.0005517600000000, -0.0005740700000000 ] - [ -0.0115875100000000, 0.0005419100000000, -0.0017315600000000 ] - [ -0.0115875100000000, -0.0005419100000000, -0.0017315600000000 ] - [ -0.0016816400000000, 0.0000000000000000, -0.0010666500000000 ] - [ -0.0226741800000000, 0.0000000000000000, 0.0040175100000000 ] - [ -0.0019376900000000, 0.0016429000000000, 0.0003230000000000 ] - [ -0.0019376900000000, -0.0016429000000000, 0.0003230000000000 ] - [ -0.0162586400000000, 0.0000000000000000, 0.0012896000000000 ] - [ -0.0018964600000000, 0.0030940600000000, -0.0010573800000000 ] - [ -0.0018964600000000, -0.0030940600000000, -0.0010573800000000 ] - [ 0.0016997600000000, -0.0026500400000000, -0.0018120700000000 ] - [ 0.0016997600000000, 0.0026500400000000, -0.0018120700000000 ] - [ -0.0000054700000000, 0.0000000000000000, -0.0001836500000000 ] - [ 0.0032948000000000, 0.0000000000000000, 0.0032721900000000 ] - [ 0.0015844600000000, 0.0013665200000000, 0.0013282600000000 ] - [ 0.0015844600000000, -0.0013665200000000, 0.0013282600000000 ] - [ 0.0041945900000000, -0.0035283300000000, 0.0003596500000000 ] - [ 0.0041945900000000, 0.0035283300000000, 0.0003596500000000 ] - [ 0.0005504700000000, 0.0000000000000000, -0.0000873800000000 ] - [ 0.0046676200000000, 0.0000000000000000, 0.0001101800000000 ] - [ 0.0015607800000000, 0.0002373900000000, 0.0005393100000000 ] - [ 0.0015607800000000, -0.0002373900000000, 0.0005393100000000 ] - [ -0.0001708800000000, -0.0001221200000000, 0.0020301600000000 ] - [ -0.0001708800000000, 0.0001221200000000, 0.0020301600000000 ] - [ -0.0002746600000000, 0.0000000000000000, 0.0004993100000000 ] - [ 0.0030427300000000, 0.0000000000000000, -0.0002336600000000 ] - [ 0.0014585600000000, -0.0001064700000000, -0.0005803100000000 ] - [ 0.0014585600000000, 0.0001064700000000, -0.0005803100000000 ] - [ 0.0039137100000000, 0.0001596100000000, 0.0015367400000000 ] - [ 0.0039137100000000, -0.0001596100000000, 0.0015367400000000 ] - [ 0.0014413500000000, 0.0000000000000000, 0.0004824900000000 ] - [ 0.0041906800000000, 0.0028125600000000, -0.0012094300000000 ] - [ 0.0041906800000000, -0.0028125600000000, -0.0012094300000000 ] - [ 0.0009515300000000, 0.0000000000000000, 0.0000235200000000 ] - [ 0.0029095000000000, 0.0000000000000000, 0.0047640600000000 ] - [ 0.0010490800000000, -0.0015643200000000, 0.0022447000000000 ] - [ 0.0010490800000000, 0.0015643200000000, 0.0022447000000000 ] - [ 0.0003081900000000, 0.0011672400000000, -0.0026150800000000 ] - [ 0.0003081900000000, -0.0011672400000000, -0.0026150800000000 ] - [ 0.0001709600000000, 0.0000000000000000, -0.0007241400000000 ] - [ -0.0009996900000000, 0.0000000000000000, -0.0049448000000000 ] - [ -0.0010410100000000, -0.0024408000000000, -0.0018582200000000 ] - [ -0.0010410100000000, 0.0024408000000000, -0.0018582200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004527700000000, -0.1198618600000000, -0.0004521600000000 ] - [ 0.0020086800000000, 0.0267123500000000, -0.0000505000000000 ] - [ -0.0015247100000000, 0.0263568300000000, -0.0008899000000000 ] - [ -0.0084134600000000, -0.0005362500000000, 0.0112021700000000 ] - [ 0.0076934800000000, -0.0006433100000000, -0.0113510300000000 ] - [ -0.0003973300000000, 0.0063070400000000, -0.0000560700000000 ] - [ -0.0106479900000000, -0.0007802200000000, -0.0049066200000000 ] - [ 0.0115073100000000, -0.0008866900000000, 0.0050023800000000 ] - [ 0.0004029200000000, 0.0049186200000000, 0.0000542100000000 ] - [ -0.0002927800000000, -0.0049902500000000, 0.0004841200000000 ] - [ 0.0025825200000000, 0.0018655000000000, 0.0003518700000000 ] - [ -0.0030055100000000, 0.0018837400000000, 0.0005840300000000 ] - [ 0.0005899200000000, -0.0008076800000000, -0.0005770100000000 ] - [ -0.0001560700000000, -0.0008187500000000, -0.0003578000000000 ] - [ 0.0002214700000000, 0.0016198800000000, -0.0004686100000000 ] - [ -0.0004016400000000, -0.0030773600000000, -0.0000515000000000 ] - [ -0.0008448700000000, 0.0015414100000000, 0.0002318700000000 ] - [ 0.0000465600000000, 0.0015474600000000, -0.0003316800000000 ] - [ 0.0004024600000000, -0.0054586500000000, 0.0000389700000000 ] - [ -0.0014447800000000, 0.0028254000000000, -0.0006590400000000 ] - [ 0.0022192300000000, 0.0028322600000000, 0.0007580500000000 ] - [ 0.0164132700000000, 0.0004328600000000, 0.0011146700000000 ] - [ -0.0169604600000000, 0.0003862600000000, -0.0001769800000000 ] - [ -0.0002358900000000, 0.0052285200000000, 0.0004612800000000 ] - [ -0.0002178500000000, -0.0052593200000000, -0.0005674600000000 ] - [ -0.0012553200000000, 0.0022098800000000, -0.0023431300000000 ] - [ 0.0008127600000000, 0.0022170300000000, 0.0012049800000000 ] - [ 0.0002138800000000, -0.0001891600000000, 0.0005664600000000 ] - [ 0.0003513900000000, 0.0001141400000000, 0.0003012000000000 ] - [ 0.0000878400000000, 0.0001159100000000, 0.0008349900000000 ] - [ -0.0004957100000000, -0.0001021700000000, -0.0013594500000000 ] - [ 0.0000450800000000, -0.0001019000000000, 0.0002241600000000 ] - [ -0.0002201300000000, 0.0002637500000000, -0.0005684200000000 ] - [ 0.0112873500000000, 0.0008880800000000, -0.0060904700000000 ] - [ -0.0108951300000000, 0.0008888600000000, 0.0072792800000000 ] - [ 0.0002167900000000, 0.0011192900000000, 0.0005717700000000 ] - [ -0.0016861600000000, 0.0088922200000000, -0.0018550600000000 ] - [ 0.0021223100000000, 0.0096778000000000, 0.0021689300000000 ] - [ 0.0003614000000000, -0.0063560700000000, 0.0004407700000000 ] - [ -0.0002986400000000, 0.0035210500000000, -0.0000043700000000 ] - [ -0.0007918000000000, -0.0016040900000000, 0.0008026000000000 ] - [ 0.0002161700000000, -0.0016163900000000, -0.0008137900000000 ] - [ -0.0032680000000000, 0.0112458700000000, -0.0024768400000000 ] - [ 0.0030088900000000, 0.0118938200000000, 0.0018924800000000 ] - [ -0.0001679400000000, -0.0043442900000000, -0.0005679600000000 ] - [ 0.0002156200000000, 0.0163267800000000, 0.0001466100000000 ] - [ -0.0026584600000000, -0.0043962800000000, 0.0026158800000000 ] - [ 0.0030449200000000, -0.0043881900000000, -0.0022229200000000 ] - [ -0.0001542000000000, 0.0143502200000000, -0.0001417400000000 ] - [ -0.0036253500000000, -0.0034150300000000, -0.0013404500000000 ] - [ 0.0031608000000000, -0.0034165100000000, 0.0009584400000000 ] - [ 0.0012617300000000, 0.0006930200000000, 0.0015330100000000 ] - [ -0.0009283200000000, 0.0007189300000000, -0.0004324800000000 ] - [ 0.0001594000000000, -0.0014169400000000, 0.0005549600000000 ] - [ 0.0002959200000000, 0.0017363800000000, 0.0000098500000000 ] - [ 0.0002063500000000, -0.0008534800000000, -0.0001914000000000 ] - [ 0.0003744600000000, -0.0008637700000000, 0.0001945500000000 ] - [ 0.0005852000000000, 0.0010560800000000, -0.0008093600000000 ] - [ -0.0012828700000000, 0.0010900500000000, -0.0000404300000000 ] - [ -0.0003589100000000, -0.0020062100000000, -0.0004266100000000 ] - [ 0.0003669100000000, 0.0017839400000000, 0.0004229700000000 ] - [ -0.0001106000000000, -0.0008798900000000, 0.0001308700000000 ] - [ 0.0008174900000000, -0.0008861300000000, 0.0007200500000000 ] - [ 0.0009192500000000, 0.0003925900000000, 0.0013589900000000 ] - [ -0.0015026000000000, 0.0003938600000000, -0.0013566600000000 ] - [ -0.0002935300000000, -0.0008343500000000, -0.0000033200000000 ] - [ -0.0001646000000000, 0.0007053400000000, -0.0005576800000000 ] - [ 0.0001129000000000, -0.0003558900000000, -0.0000712900000000 ] - [ -0.0004385900000000, -0.0003588500000000, -0.0010417000000000 ] - [ -0.0011802900000000, 0.0007566000000000, -0.0006365200000000 ] - [ 0.0016119700000000, 0.0007611000000000, 0.0009990400000000 ] - [ 0.0002126300000000, -0.0015416600000000, 0.0001818600000000 ] - [ -0.0018848900000000, 0.0011048500000000, 0.0011006800000000 ] - [ 0.0014706100000000, 0.0011178500000000, -0.0014687000000000 ] - [ -0.0002059600000000, -0.0024459100000000, -0.0001812600000000 ] - [ 0.0001686500000000, 0.0031885100000000, 0.0005569600000000 ] - [ 0.0018570600000000, -0.0015054300000000, 0.0004898000000000 ] - [ -0.0015341300000000, -0.0015101600000000, 0.0006318600000000 ] - [ -0.0039923100000000, 0.0008700000000000, 0.0003270600000000 ] - [ 0.0045753800000000, 0.0008712500000000, -0.0003285500000000 ] - [ 0.0002926400000000, -0.0013889000000000, 0.0000011400000000 ] - [ -0.0003561000000000, 0.0122271800000000, -0.0004182900000000 ] - [ 0.0029093700000000, -0.0038809300000000, -0.0005563500000000 ] - [ -0.0035898600000000, -0.0038713800000000, -0.0003042400000000 ]- atom: 1 displacement: [ -0.0050732117389922, 0.0000000000000000, 0.0086175705771030 ] forces: - [ 0.0692792400000000, 0.0000000000000000, -0.1067428500000000 ] - [ 0.0018884700000000, 0.0004955000000000, -0.0099243800000000 ] - [ 0.0018884700000000, -0.0004955000000000, -0.0099243800000000 ] - [ -0.0049399300000000, 0.0211250400000000, 0.0219721200000000 ] - [ -0.0049399300000000, -0.0211250400000000, 0.0219721200000000 ] - [ -0.0006501000000000, 0.0000000000000000, 0.0014606500000000 ] - [ 0.0087355700000000, 0.0007131600000000, -0.0013241900000000 ] - [ 0.0087355700000000, -0.0007131600000000, -0.0013241900000000 ] - [ 0.0013354600000000, 0.0000000000000000, -0.0000592300000000 ] - [ -0.0209969300000000, 0.0000000000000000, -0.0047623800000000 ] - [ -0.0015256200000000, -0.0015126900000000, -0.0005614200000000 ] - [ -0.0015256200000000, 0.0015126900000000, -0.0005614200000000 ] - [ -0.0018329000000000, 0.0002829400000000, -0.0007095600000000 ] - [ -0.0018329000000000, -0.0002829400000000, -0.0007095600000000 ] - [ -0.0005339100000000, 0.0000000000000000, -0.0004970500000000 ] - [ 0.0001929700000000, 0.0000000000000000, 0.0000738100000000 ] - [ -0.0001860700000000, 0.0002953100000000, -0.0000355100000000 ] - [ -0.0001860700000000, -0.0002953100000000, -0.0000355100000000 ] - [ -0.0087273600000000, 0.0000000000000000, 0.0070094000000000 ] - [ -0.0019072900000000, 0.0018122300000000, 0.0012545900000000 ] - [ -0.0019072900000000, -0.0018122300000000, 0.0012545900000000 ] - [ -0.0022127200000000, -0.0079036600000000, -0.0099534400000000 ] - [ -0.0022127200000000, 0.0079036600000000, -0.0099534400000000 ] - [ -0.0002044600000000, 0.0000000000000000, -0.0012852200000000 ] - [ 0.0047143600000000, 0.0000000000000000, 0.0017991800000000 ] - [ 0.0008013200000000, -0.0008017500000000, -0.0003036000000000 ] - [ 0.0008013200000000, 0.0008017500000000, -0.0003036000000000 ] - [ 0.0000398000000000, 0.0000000000000000, 0.0007124100000000 ] - [ 0.0001886300000000, -0.0001203300000000, 0.0005148300000000 ] - [ 0.0001886300000000, 0.0001203300000000, 0.0005148300000000 ] - [ -0.0021052300000000, -0.0002679800000000, 0.0014165500000000 ] - [ -0.0021052300000000, 0.0002679800000000, 0.0014165500000000 ] - [ -0.0006744700000000, 0.0000000000000000, -0.0001260300000000 ] - [ -0.0091748900000000, -0.0062174200000000, 0.0102429800000000 ] - [ -0.0091748900000000, 0.0062174200000000, 0.0102429800000000 ] - [ 0.0001100400000000, 0.0000000000000000, 0.0008763600000000 ] - [ -0.0086837800000000, -0.0004029700000000, 0.0124010800000000 ] - [ -0.0086837800000000, 0.0004029700000000, 0.0124010800000000 ] - [ -0.0001633400000000, 0.0000000000000000, 0.0017073700000000 ] - [ -0.0013055400000000, 0.0000000000000000, -0.0059466300000000 ] - [ -0.0007828000000000, 0.0013862500000000, -0.0019122100000000 ] - [ -0.0007828000000000, -0.0013862500000000, -0.0019122100000000 ] - [ -0.0022458900000000, -0.0011905200000000, 0.0065113000000000 ] - [ -0.0022458900000000, 0.0011905200000000, 0.0065113000000000 ] - [ -0.0007228300000000, 0.0000000000000000, 0.0002699400000000 ] - [ -0.0186954900000000, 0.0000000000000000, 0.0229679300000000 ] - [ 0.0004332200000000, 0.0037108500000000, 0.0020221300000000 ] - [ 0.0004332200000000, -0.0037108500000000, 0.0020221300000000 ] - [ -0.0088862700000000, 0.0000000000000000, 0.0136074000000000 ] - [ -0.0015399200000000, -0.0005776200000000, 0.0015410300000000 ] - [ -0.0015399200000000, 0.0005776200000000, 0.0015410300000000 ] - [ 0.0048509500000000, -0.0023601600000000, -0.0013360400000000 ] - [ 0.0048509500000000, 0.0023601600000000, -0.0013360400000000 ] - [ 0.0009228300000000, 0.0000000000000000, 0.0000928700000000 ] - [ -0.0001296400000000, 0.0000000000000000, 0.0003375900000000 ] - [ 0.0000130600000000, -0.0001256800000000, 0.0000843200000000 ] - [ 0.0000130600000000, 0.0001256800000000, 0.0000843200000000 ] - [ 0.0004000100000000, -0.0017170000000000, 0.0014131000000000 ] - [ 0.0004000100000000, 0.0017170000000000, 0.0014131000000000 ] - [ -0.0001947200000000, 0.0000000000000000, 0.0000343900000000 ] - [ 0.0026982700000000, 0.0000000000000000, -0.0003021900000000 ] - [ 0.0009326500000000, -0.0000012200000000, 0.0003104500000000 ] - [ 0.0009326500000000, 0.0000012200000000, 0.0003104500000000 ] - [ -0.0003890000000000, 0.0002111900000000, -0.0013235300000000 ] - [ -0.0003890000000000, -0.0002111900000000, -0.0013235300000000 ] - [ -0.0001887000000000, 0.0000000000000000, -0.0001867700000000 ] - [ 0.0015493300000000, 0.0000000000000000, -0.0008386800000000 ] - [ 0.0005856400000000, -0.0000458700000000, -0.0007556900000000 ] - [ 0.0005856400000000, 0.0000458700000000, -0.0007556900000000 ] - [ 0.0009473800000000, -0.0001754600000000, 0.0006612500000000 ] - [ 0.0009473800000000, 0.0001754600000000, 0.0006612500000000 ] - [ 0.0004756800000000, 0.0000000000000000, 0.0003155200000000 ] - [ 0.0019734100000000, 0.0018391500000000, 0.0002275400000000 ] - [ 0.0019734100000000, -0.0018391500000000, 0.0002275400000000 ] - [ 0.0003846600000000, 0.0000000000000000, 0.0000568700000000 ] - [ -0.0017622100000000, 0.0000000000000000, 0.0035123300000000 ] - [ -0.0008083900000000, -0.0002966900000000, 0.0019129900000000 ] - [ -0.0008083900000000, 0.0002966900000000, 0.0019129900000000 ] - [ 0.0054077700000000, 0.0003385000000000, -0.0055271200000000 ] - [ 0.0054077700000000, -0.0003385000000000, -0.0055271200000000 ] - [ 0.0009233900000000, 0.0000000000000000, -0.0011083000000000 ] - [ 0.0035384600000000, 0.0000000000000000, 0.0067364400000000 ] - [ 0.0000120600000000, -0.0017041400000000, 0.0013228700000000 ] - [ 0.0000120600000000, 0.0017041400000000, 0.0013228700000000 ]- atom: 1 displacement: [ 0.0050732117389922, 0.0000000000000000, -0.0086175705771030 ] forces: - [ -0.0701227200000000, 0.0000000000000000, 0.1076888700000000 ] - [ -0.0014465500000000, -0.0005740900000000, 0.0089801000000000 ] - [ -0.0014465500000000, 0.0005740900000000, 0.0089801000000000 ] - [ 0.0041778900000000, -0.0214399300000000, -0.0223053300000000 ] - [ 0.0041778900000000, 0.0214399300000000, -0.0223053300000000 ] - [ -0.0001515400000000, 0.0000000000000000, -0.0015547000000000 ] - [ -0.0079604200000000, -0.0006489800000000, 0.0013562900000000 ] - [ -0.0079604200000000, 0.0006489800000000, 0.0013562900000000 ] - [ -0.0005521300000000, 0.0000000000000000, 0.0001465100000000 ] - [ 0.0207547400000000, 0.0000000000000000, 0.0058395100000000 ] - [ 0.0010728000000000, 0.0015218600000000, 0.0015222200000000 ] - [ 0.0010728000000000, -0.0015218600000000, 0.0015222200000000 ] - [ 0.0022837200000000, -0.0002841200000000, -0.0002239100000000 ] - [ 0.0022837200000000, 0.0002841200000000, -0.0002239100000000 ] - [ 0.0009854800000000, 0.0000000000000000, -0.0004392500000000 ] - [ -0.0009741400000000, 0.0000000000000000, -0.0001731200000000 ] - [ -0.0005993400000000, -0.0002925100000000, -0.0000613500000000 ] - [ -0.0005993400000000, 0.0002925100000000, -0.0000613500000000 ] - [ 0.0094817900000000, 0.0000000000000000, -0.0069429900000000 ] - [ 0.0026823900000000, -0.0018027000000000, -0.0011734600000000 ] - [ 0.0026823900000000, 0.0018027000000000, -0.0011734600000000 ] - [ 0.0018253400000000, 0.0079135100000000, 0.0108547900000000 ] - [ 0.0018253400000000, -0.0079135100000000, 0.0108547900000000 ] - [ -0.0002465500000000, 0.0000000000000000, 0.0022155000000000 ] - [ -0.0052013900000000, 0.0000000000000000, -0.0029078600000000 ] - [ -0.0012454600000000, 0.0007904200000000, -0.0008145900000000 ] - [ -0.0012454600000000, -0.0007904200000000, -0.0008145900000000 ] - [ 0.0003852000000000, 0.0000000000000000, 0.0004268300000000 ] - [ 0.0002478200000000, 0.0001207900000000, 0.0006243900000000 ] - [ 0.0002478200000000, -0.0001207900000000, 0.0006243900000000 ] - [ 0.0016776000000000, 0.0002689900000000, -0.0025602000000000 ] - [ 0.0016776000000000, -0.0002689900000000, -0.0025602000000000 ] - [ 0.0002344200000000, 0.0000000000000000, -0.0010127400000000 ] - [ 0.0095898700000000, 0.0061334700000000, -0.0090434000000000 ] - [ 0.0095898700000000, -0.0061334700000000, -0.0090434000000000 ] - [ 0.0003382100000000, 0.0000000000000000, 0.0002544900000000 ] - [ 0.0093572400000000, 0.0002063200000000, -0.0117325100000000 ] - [ 0.0093572400000000, -0.0002063200000000, -0.0117325100000000 ] - [ 0.0008723300000000, 0.0000000000000000, -0.0008620600000000 ] - [ 0.0007617900000000, 0.0000000000000000, 0.0059812000000000 ] - [ 0.0002158300000000, -0.0014020300000000, 0.0019106400000000 ] - [ 0.0002158300000000, 0.0014020300000000, 0.0019106400000000 ] - [ 0.0019484800000000, 0.0009061000000000, -0.0074133900000000 ] - [ 0.0019484800000000, -0.0009061000000000, -0.0074133900000000 ] - [ 0.0003812600000000, 0.0000000000000000, -0.0013730000000000 ] - [ 0.0207714500000000, 0.0000000000000000, -0.0243970800000000 ] - [ -0.0000081900000000, -0.0037421200000000, -0.0016886000000000 ] - [ -0.0000081900000000, 0.0037421200000000, -0.0016886000000000 ] - [ 0.0086252800000000, 0.0000000000000000, -0.0139671500000000 ] - [ 0.0011290000000000, 0.0005906900000000, -0.0019162700000000 ] - [ 0.0011290000000000, -0.0005906900000000, -0.0019162700000000 ] - [ -0.0045682200000000, 0.0023804300000000, 0.0024539400000000 ] - [ -0.0045682200000000, -0.0023804300000000, 0.0024539400000000 ] - [ -0.0005955100000000, 0.0000000000000000, 0.0010174100000000 ] - [ 0.0007240400000000, 0.0000000000000000, -0.0003177800000000 ] - [ 0.0005745000000000, 0.0001316100000000, -0.0000775200000000 ] - [ 0.0005745000000000, -0.0001316100000000, -0.0000775200000000 ] - [ -0.0011020700000000, 0.0017189000000000, -0.0022883000000000 ] - [ -0.0011020700000000, -0.0017189000000000, -0.0022883000000000 ] - [ -0.0005164600000000, 0.0000000000000000, -0.0008949200000000 ] - [ -0.0020024400000000, 0.0000000000000000, 0.0011541000000000 ] - [ -0.0002279300000000, -0.0000014500000000, 0.0005404800000000 ] - [ -0.0002279300000000, 0.0000014500000000, 0.0005404800000000 ] - [ -0.0002107700000000, -0.0002099300000000, 0.0013336700000000 ] - [ -0.0002107700000000, 0.0002099300000000, 0.0013336700000000 ] - [ -0.0004021900000000, 0.0000000000000000, 0.0001875500000000 ] - [ -0.0018770300000000, 0.0000000000000000, -0.0002723000000000 ] - [ -0.0009165400000000, 0.0000455700000000, -0.0003587500000000 ] - [ -0.0009165400000000, -0.0000455700000000, -0.0003587500000000 ] - [ -0.0005333100000000, 0.0001755100000000, -0.0002999500000000 ] - [ -0.0005333100000000, -0.0001755100000000, -0.0002999500000000 ] - [ -0.0000597300000000, 0.0000000000000000, 0.0000470700000000 ] - [ -0.0023957000000000, -0.0018383800000000, -0.0005759700000000 ] - [ -0.0023957000000000, 0.0018383800000000, -0.0005759700000000 ] - [ -0.0008069700000000, 0.0000000000000000, -0.0004135900000000 ] - [ 0.0020890100000000, 0.0000000000000000, -0.0024082300000000 ] - [ 0.0011297000000000, 0.0003001500000000, -0.0008003200000000 ] - [ 0.0011297000000000, -0.0003001500000000, -0.0008003200000000 ] - [ -0.0048296600000000, -0.0003344900000000, 0.0055509700000000 ] - [ -0.0048296600000000, 0.0003344900000000, 0.0055509700000000 ] - [ -0.0003444300000000, 0.0000000000000000, 0.0011134000000000 ] - [ -0.0048245700000000, 0.0000000000000000, -0.0074043700000000 ] - [ -0.0007316200000000, 0.0017024500000000, -0.0021593100000000 ] - [ -0.0007316200000000, -0.0017024500000000, -0.0021593100000000 ]- atom: 4 displacement: [ 0.0099999474480149, 0.0000000000000000, -0.0000324196998736 ] forces: - [ -0.0064287400000000, -0.0080816200000000, -0.0097916200000000 ] - [ -0.0011626400000000, 0.0000000000000000, -0.0015866900000000 ] - [ -0.0064287400000000, 0.0080816200000000, -0.0097916200000000 ] - [ -0.0959531300000000, 0.0000000000000000, -0.0080140200000000 ] - [ -0.0070789600000000, 0.0003696000000000, -0.0030801400000000 ] - [ -0.0070789600000000, -0.0003696000000000, -0.0030801400000000 ] - [ 0.0017994600000000, 0.0000000000000000, -0.0012277200000000 ] - [ 0.0003209500000000, 0.0005937100000000, 0.0002699400000000 ] - [ 0.0003209500000000, -0.0005937100000000, 0.0002699400000000 ] - [ 0.0032799000000000, 0.0111277500000000, 0.0122932200000000 ] - [ -0.0009380200000000, 0.0000000000000000, 0.0011459800000000 ] - [ 0.0032799000000000, -0.0111277500000000, 0.0122932200000000 ] - [ 0.0038925300000000, 0.0000000000000000, 0.0023700000000000 ] - [ 0.0019600700000000, 0.0004492400000000, 0.0007939300000000 ] - [ 0.0019600700000000, -0.0004492400000000, 0.0007939300000000 ] - [ 0.0053116300000000, 0.0017611900000000, 0.0014760200000000 ] - [ 0.0012995700000000, 0.0000000000000000, 0.0005306500000000 ] - [ 0.0053116300000000, -0.0017611900000000, 0.0014760200000000 ] - [ -0.0045225400000000, 0.0015067500000000, 0.0035603600000000 ] - [ 0.0001917700000000, 0.0000000000000000, 0.0003449000000000 ] - [ -0.0045225400000000, -0.0015067500000000, 0.0035603600000000 ] - [ 0.0085352800000000, 0.0000000000000000, -0.0049325800000000 ] - [ 0.0010537400000000, -0.0018260900000000, -0.0014389000000000 ] - [ 0.0010537400000000, 0.0018260900000000, -0.0014389000000000 ] - [ 0.0112741300000000, -0.0068733400000000, -0.0015268900000000 ] - [ -0.0000828100000000, 0.0000000000000000, -0.0004537600000000 ] - [ 0.0112741300000000, 0.0068733400000000, -0.0015268900000000 ] - [ 0.0015007200000000, 0.0000661400000000, 0.0015500800000000 ] - [ 0.0006220900000000, 0.0000000000000000, 0.0009970600000000 ] - [ 0.0015007200000000, -0.0000661400000000, 0.0015500800000000 ] - [ 0.0148847900000000, 0.0000000000000000, -0.0040532000000000 ] - [ 0.0006670600000000, 0.0006158100000000, -0.0009872000000000 ] - [ 0.0006670600000000, -0.0006158100000000, -0.0009872000000000 ] - [ 0.0042823600000000, 0.0000000000000000, -0.0054134100000000 ] - [ 0.0001994000000000, 0.0003184200000000, 0.0000152200000000 ] - [ 0.0001994000000000, -0.0003184200000000, 0.0000152200000000 ] - [ 0.0042716500000000, 0.0000000000000000, 0.0066201200000000 ] - [ 0.0018200000000000, 0.0013647000000000, 0.0016961100000000 ] - [ 0.0018200000000000, -0.0013647000000000, 0.0016961100000000 ] - [ 0.0065551500000000, -0.0003640400000000, 0.0005747800000000 ] - [ 0.0004653300000000, 0.0000000000000000, -0.0000493600000000 ] - [ 0.0065551500000000, 0.0003640400000000, 0.0005747800000000 ] - [ -0.0006948100000000, 0.0000000000000000, 0.0035497100000000 ] - [ 0.0004203800000000, 0.0003001300000000, 0.0005618400000000 ] - [ 0.0004203800000000, -0.0003001300000000, 0.0005618400000000 ] - [ 0.0145838900000000, 0.0026225200000000, 0.0024314000000000 ] - [ 0.0015912500000000, 0.0000000000000000, 0.0005835000000000 ] - [ 0.0145838900000000, -0.0026225200000000, 0.0024314000000000 ] - [ 0.0022302100000000, -0.0010401700000000, -0.0013556300000000 ] - [ 0.0007395800000000, 0.0000000000000000, -0.0000987500000000 ] - [ 0.0022302100000000, 0.0010401700000000, -0.0013556300000000 ] - [ 0.0199840800000000, 0.0000000000000000, 0.0039879200000000 ] - [ 0.0007479600000000, -0.0018891400000000, 0.0007824200000000 ] - [ 0.0007479600000000, 0.0018891400000000, 0.0007824200000000 ] - [ -0.0012797500000000, -0.0005650100000000, -0.0001402900000000 ] - [ -0.0000478300000000, 0.0000000000000000, -0.0002730000000000 ] - [ -0.0012797500000000, 0.0005650100000000, -0.0001402900000000 ] - [ -0.0023045200000000, 0.0000000000000000, -0.0042481000000000 ] - [ -0.0012854500000000, -0.0013995000000000, -0.0021500600000000 ] - [ -0.0012854500000000, 0.0013995000000000, -0.0021500600000000 ] - [ -0.0027555800000000, -0.0018106600000000, -0.0015252900000000 ] - [ -0.0003599200000000, 0.0000000000000000, 0.0000191500000000 ] - [ -0.0027555800000000, 0.0018106600000000, -0.0015252900000000 ] - [ -0.0071854900000000, 0.0000000000000000, 0.0022155200000000 ] - [ -0.0010062500000000, -0.0001906800000000, 0.0001134600000000 ] - [ -0.0010062500000000, 0.0001906800000000, 0.0001134600000000 ] - [ -0.0009470600000000, 0.0000776400000000, -0.0022412200000000 ] - [ -0.0007845800000000, 0.0000000000000000, -0.0011205200000000 ] - [ -0.0009470600000000, -0.0000776400000000, -0.0022412200000000 ] - [ -0.0032666300000000, 0.0000000000000000, -0.0006484600000000 ] - [ -0.0014313800000000, 0.0000244200000000, 0.0000326800000000 ] - [ -0.0014313800000000, -0.0000244200000000, 0.0000326800000000 ] - [ -0.0013978600000000, 0.0000000000000000, 0.0012002000000000 ] - [ -0.0010658000000000, 0.0003042500000000, -0.0001557100000000 ] - [ -0.0010658000000000, -0.0003042500000000, -0.0001557100000000 ] - [ -0.0043928200000000, 0.0008263100000000, 0.0021307100000000 ] - [ -0.0006413700000000, 0.0000000000000000, 0.0005385700000000 ] - [ -0.0043928200000000, -0.0008263100000000, 0.0021307100000000 ] - [ 0.0098862800000000, 0.0000000000000000, -0.0055131800000000 ] - [ 0.0014572200000000, -0.0002990900000000, 0.0002939900000000 ] - [ 0.0014572200000000, 0.0002990900000000, 0.0002939900000000 ] - [ 0.0000677700000000, 0.0006424300000000, 0.0023674500000000 ] - [ -0.0001380900000000, 0.0000000000000000, 0.0004281400000000 ] - [ 0.0000677700000000, -0.0006424300000000, 0.0023674500000000 ]- atom: 4 displacement: [ -0.0099999474480149, 0.0000000000000000, 0.0000324196998736 ] forces: - [ 0.0069675300000000, 0.0080986300000000, 0.0088459500000000 ] - [ 0.0016214900000000, 0.0000000000000000, 0.0006464500000000 ] - [ 0.0069675300000000, -0.0080986300000000, 0.0088459500000000 ] - [ 0.0943166300000000, 0.0000000000000000, 0.0074411600000000 ] - [ 0.0062871000000000, -0.0004729100000000, 0.0030136100000000 ] - [ 0.0062871000000000, 0.0004729100000000, 0.0030136100000000 ] - [ -0.0010165100000000, 0.0000000000000000, 0.0012716600000000 ] - [ 0.0004643700000000, -0.0005906700000000, -0.0001991400000000 ] - [ 0.0004643700000000, 0.0005906700000000, -0.0001991400000000 ] - [ -0.0037705700000000, -0.0109954200000000, -0.0112414300000000 ] - [ 0.0004621000000000, 0.0000000000000000, -0.0002188100000000 ] - [ -0.0037705700000000, 0.0109954200000000, -0.0112414300000000 ] - [ -0.0034232700000000, 0.0000000000000000, -0.0032854000000000 ] - [ -0.0014996200000000, -0.0004418600000000, -0.0017172000000000 ] - [ -0.0014996200000000, 0.0004418600000000, -0.0017172000000000 ] - [ -0.0061048500000000, -0.0017432300000000, -0.0015536300000000 ] - [ -0.0020957400000000, 0.0000000000000000, -0.0006140800000000 ] - [ -0.0061048500000000, 0.0017432300000000, -0.0015536300000000 ] - [ 0.0053435400000000, -0.0015350300000000, -0.0034281800000000 ] - [ 0.0006072600000000, 0.0000000000000000, -0.0002529800000000 ] - [ 0.0053435400000000, 0.0015350300000000, -0.0034281800000000 ] - [ -0.0090225300000000, 0.0000000000000000, 0.0059143600000000 ] - [ -0.0015061900000000, 0.0018344200000000, 0.0023875700000000 ] - [ -0.0015061900000000, -0.0018344200000000, 0.0023875700000000 ] - [ -0.0117968400000000, 0.0069752400000000, 0.0003655300000000 ] - [ -0.0003521800000000, 0.0000000000000000, -0.0006837300000000 ] - [ -0.0117968400000000, -0.0069752400000000, 0.0003655300000000 ] - [ -0.0010577100000000, -0.0000650000000000, -0.0004200300000000 ] - [ -0.0001819600000000, 0.0000000000000000, 0.0001354800000000 ] - [ -0.0010577100000000, 0.0000650000000000, -0.0004200300000000 ] - [ -0.0151334300000000, 0.0000000000000000, 0.0029242900000000 ] - [ -0.0011153100000000, -0.0006111900000000, -0.0001464400000000 ] - [ -0.0011153100000000, 0.0006111900000000, -0.0001464400000000 ] - [ -0.0038783600000000, 0.0000000000000000, 0.0065519900000000 ] - [ 0.0002338900000000, -0.0003195800000000, 0.0011191000000000 ] - [ 0.0002338900000000, 0.0003195800000000, 0.0011191000000000 ] - [ -0.0040606700000000, 0.0000000000000000, -0.0053807500000000 ] - [ -0.0011386200000000, -0.0013610300000000, -0.0008442100000000 ] - [ -0.0011386200000000, 0.0013610300000000, -0.0008442100000000 ] - [ -0.0072389600000000, 0.0005647400000000, -0.0007044800000000 ] - [ -0.0010609800000000, 0.0000000000000000, 0.0000394200000000 ] - [ -0.0072389600000000, -0.0005647400000000, -0.0007044800000000 ] - [ 0.0003894300000000, 0.0000000000000000, -0.0046714000000000 ] - [ -0.0007447000000000, -0.0002985800000000, -0.0016782700000000 ] - [ -0.0007447000000000, 0.0002985800000000, -0.0016782700000000 ] - [ -0.0141513200000000, -0.0026107700000000, -0.0020459400000000 ] - [ -0.0011663300000000, 0.0000000000000000, -0.0002035900000000 ] - [ -0.0141513200000000, 0.0026107700000000, -0.0020459400000000 ] - [ -0.0026340600000000, 0.0010402100000000, 0.0010030500000000 ] - [ -0.0011571300000000, 0.0000000000000000, -0.0002613700000000 ] - [ -0.0026340600000000, -0.0010402100000000, 0.0010030500000000 ] - [ -0.0180863000000000, 0.0000000000000000, -0.0024134600000000 ] - [ -0.0003998200000000, 0.0018820200000000, 0.0003321200000000 ] - [ -0.0003998200000000, -0.0018820200000000, 0.0003321200000000 ] - [ 0.0018548800000000, 0.0005607800000000, 0.0001509500000000 ] - [ 0.0006238900000000, 0.0000000000000000, 0.0002778900000000 ] - [ 0.0018548800000000, -0.0005607800000000, 0.0001509500000000 ] - [ 0.0015886300000000, 0.0000000000000000, 0.0033754800000000 ] - [ 0.0005741100000000, 0.0013909100000000, 0.0012913100000000 ] - [ 0.0005741100000000, -0.0013909100000000, 0.0012913100000000 ] - [ 0.0034561200000000, 0.0017991200000000, 0.0023633600000000 ] - [ 0.0010698500000000, 0.0000000000000000, 0.0008344800000000 ] - [ 0.0034561200000000, -0.0017991200000000, 0.0023633600000000 ] - [ 0.0065777800000000, 0.0000000000000000, -0.0022212700000000 ] - [ 0.0004287300000000, 0.0001867300000000, -0.0001154100000000 ] - [ 0.0004287300000000, -0.0001867300000000, -0.0001154100000000 ] - [ 0.0006030200000000, -0.0000796000000000, 0.0011199300000000 ] - [ 0.0004493400000000, 0.0000000000000000, -0.0000010500000000 ] - [ 0.0006030200000000, 0.0000796000000000, 0.0011199300000000 ] - [ 0.0036788000000000, 0.0000000000000000, 0.0010015000000000 ] - [ 0.0018460600000000, -0.0000336600000000, 0.0003240700000000 ] - [ 0.0018460600000000, 0.0000336600000000, 0.0003240700000000 ] - [ 0.0009609200000000, 0.0000000000000000, -0.0015921200000000 ] - [ 0.0006354500000000, -0.0002976100000000, -0.0002209400000000 ] - [ 0.0006354500000000, 0.0002976100000000, -0.0002209400000000 ] - [ 0.0047209700000000, -0.0008294500000000, -0.0010242300000000 ] - [ 0.0009587900000000, 0.0000000000000000, 0.0005765200000000 ] - [ 0.0047209700000000, 0.0008294500000000, -0.0010242300000000 ] - [ -0.0092897800000000, 0.0000000000000000, 0.0052302800000000 ] - [ -0.0008728400000000, 0.0003032400000000, -0.0003015300000000 ] - [ -0.0008728400000000, -0.0003032400000000, -0.0003015300000000 ] - [ -0.0007853200000000, -0.0006423400000000, -0.0032416600000000 ] - [ -0.0005778600000000, 0.0000000000000000, -0.0012885900000000 ] - [ -0.0007853200000000, 0.0006423400000000, -0.0032416600000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0122474500000000, -0.0006203400000000, 0.0169811500000000 ] - [ 0.0002210400000000, 0.0063086500000000, -0.0004573100000000 ] - [ 0.0126071400000000, -0.0005577400000000, -0.0177773600000000 ] - [ -0.0003354300000000, -0.1359169900000000, -0.0007707100000000 ] - [ -0.0008218700000000, 0.0324774400000000, -0.0031076100000000 ] - [ 0.0000403700000000, 0.0321085800000000, 0.0029799000000000 ] - [ 0.0003827300000000, -0.0058002900000000, 0.0000574100000000 ] - [ 0.0009918100000000, 0.0028678100000000, 0.0009740800000000 ] - [ -0.0001995800000000, 0.0028753600000000, -0.0008734800000000 ] - [ 0.0156584000000000, -0.0008584800000000, 0.0090161300000000 ] - [ -0.0002165100000000, 0.0049182700000000, 0.0004760400000000 ] - [ -0.0160027600000000, -0.0008027200000000, -0.0080413600000000 ] - [ 0.0002256400000000, -0.0030752400000000, -0.0004716500000000 ] - [ 0.0003198100000000, 0.0015397500000000, -0.0007538500000000 ] - [ 0.0001338600000000, 0.0015503800000000, -0.0001811800000000 ] - [ -0.0021560900000000, -0.0013511400000000, -0.0000387200000000 ] - [ -0.0003960400000000, 0.0026666800000000, -0.0000475300000000 ] - [ 0.0013475800000000, -0.0013283100000000, -0.0000625500000000 ] - [ 0.0018919800000000, -0.0012093800000000, -0.0114443600000000 ] - [ 0.0003926000000000, 0.0047708800000000, 0.0000371600000000 ] - [ -0.0010734700000000, -0.0011361200000000, 0.0115065500000000 ] - [ -0.0002132100000000, -0.0054579100000000, 0.0004748400000000 ] - [ -0.0019077200000000, 0.0028240000000000, 0.0015839700000000 ] - [ 0.0014419600000000, 0.0028370200000000, -0.0006389600000000 ] - [ -0.0130955300000000, 0.0010765500000000, 0.0050482200000000 ] - [ -0.0002276500000000, 0.0012875200000000, -0.0005675200000000 ] - [ 0.0125814000000000, 0.0010804200000000, -0.0061755300000000 ] - [ -0.0004643000000000, -0.0002456200000000, 0.0000939000000000 ] - [ 0.0002207400000000, 0.0005022700000000, 0.0005673100000000 ] - [ 0.0009082700000000, -0.0002448200000000, 0.0010437400000000 ] - [ -0.0002544400000000, 0.0005794600000000, -0.0005549400000000 ] - [ 0.0016372700000000, 0.0000343200000000, -0.0011878400000000 ] - [ -0.0020633400000000, 0.0000371300000000, 0.0000442200000000 ] - [ 0.0001830900000000, 0.0003224400000000, 0.0005925900000000 ] - [ 0.0010171000000000, 0.0002808000000000, -0.0002172700000000 ] - [ -0.0005695700000000, 0.0002859000000000, 0.0013473300000000 ] - [ 0.0003470400000000, 0.0172855400000000, 0.0004413600000000 ] - [ 0.0035582600000000, -0.0051055900000000, -0.0020496900000000 ] - [ -0.0028192900000000, -0.0050994500000000, 0.0028834900000000 ] - [ 0.0035430100000000, 0.0073430900000000, 0.0002379800000000 ] - [ -0.0002825900000000, -0.0051772300000000, 0.0000053600000000 ] - [ -0.0043854900000000, 0.0067984600000000, -0.0005132600000000 ] - [ -0.0001406100000000, 0.0032901600000000, -0.0005774300000000 ] - [ -0.0006783800000000, -0.0017397100000000, -0.0008510500000000 ] - [ 0.0003443600000000, -0.0017444200000000, -0.0002677200000000 ] - [ 0.0035350800000000, 0.0213531600000000, 0.0070024300000000 ] - [ 0.0002037400000000, -0.0094319200000000, 0.0001626700000000 ] - [ -0.0028451800000000, 0.0199748400000000, -0.0057015000000000 ] - [ -0.0017153100000000, 0.0010431400000000, -0.0061878000000000 ] - [ -0.0002125300000000, -0.0023327000000000, -0.0001865900000000 ] - [ 0.0012896900000000, 0.0010345900000000, 0.0057998300000000 ] - [ 0.0001869200000000, 0.0107836800000000, 0.0005699300000000 ] - [ -0.0040408800000000, -0.0034257300000000, 0.0002161100000000 ] - [ 0.0043267700000000, -0.0034080300000000, 0.0008911800000000 ] - [ 0.0009545600000000, 0.0005701100000000, -0.0000785000000000 ] - [ 0.0002901500000000, -0.0011197200000000, 0.0000022900000000 ] - [ -0.0003709300000000, 0.0005636400000000, 0.0000802200000000 ] - [ -0.0003562200000000, 0.0050908000000000, -0.0004259000000000 ] - [ -0.0008740400000000, -0.0025230800000000, -0.0011068900000000 ] - [ 0.0001591400000000, -0.0025296500000000, 0.0002452400000000 ] - [ -0.0013506100000000, 0.0010683100000000, 0.0008585500000000 ] - [ 0.0003500400000000, -0.0019385900000000, 0.0004264800000000 ] - [ 0.0020615700000000, 0.0010473800000000, 0.0000100500000000 ] - [ -0.0002700400000000, 0.0006191600000000, -0.0000130000000000 ] - [ -0.0012088100000000, -0.0004041000000000, 0.0000933300000000 ] - [ 0.0006212300000000, -0.0004082800000000, -0.0001004000000000 ] - [ 0.0004691400000000, 0.0004863500000000, 0.0013633700000000 ] - [ -0.0001651700000000, -0.0009600500000000, -0.0005544000000000 ] - [ -0.0008067400000000, 0.0004837700000000, -0.0024760700000000 ] - [ 0.0002102000000000, 0.0023821900000000, 0.0001785200000000 ] - [ 0.0007929700000000, -0.0011621600000000, 0.0005227000000000 ] - [ -0.0003700600000000, -0.0011687500000000, -0.0001606600000000 ] - [ -0.0002184200000000, 0.0038902900000000, -0.0001866800000000 ] - [ 0.0003095700000000, -0.0019139500000000, 0.0000422500000000 ] - [ -0.0007278900000000, -0.0019303500000000, -0.0004078400000000 ] - [ 0.0039873800000000, 0.0008655100000000, -0.0027573000000000 ] - [ 0.0001692500000000, -0.0013509400000000, 0.0005536600000000 ] - [ -0.0036546900000000, 0.0008611000000000, 0.0038634700000000 ] - [ 0.0003127800000000, 0.0083088700000000, -0.0000399000000000 ] - [ -0.0008946200000000, -0.0024979000000000, 0.0034480000000000 ] - [ 0.0014645000000000, -0.0024923400000000, -0.0034062500000000 ] - [ 0.0010596700000000, 0.0013935400000000, -0.0002644100000000 ] - [ -0.0003520200000000, -0.0026651500000000, -0.0004286500000000 ] - [ -0.0017643200000000, 0.0013656000000000, -0.0006114000000000 ]- atom: 4 displacement: [ -0.0050732117389922, 0.0000000000000000, 0.0086175705771030 ] forces: - [ -0.0053094300000000, 0.0139295000000000, 0.0211770100000000 ] - [ -0.0001698200000000, 0.0000000000000000, 0.0009408000000000 ] - [ -0.0053094300000000, -0.0139295000000000, 0.0211770100000000 ] - [ 0.0408589600000000, 0.0000000000000000, -0.1034242300000000 ] - [ 0.0003494400000000, 0.0023527000000000, -0.0074172300000000 ] - [ 0.0003494400000000, -0.0023527000000000, -0.0074172300000000 ] - [ -0.0013636900000000, 0.0000000000000000, 0.0029322400000000 ] - [ 0.0006417900000000, 0.0004963100000000, 0.0010811400000000 ] - [ 0.0006417900000000, -0.0004963100000000, 0.0010811400000000 ] - [ 0.0083912200000000, -0.0013664000000000, -0.0007387900000000 ] - [ 0.0008069900000000, 0.0000000000000000, 0.0004164000000000 ] - [ 0.0083912200000000, 0.0013664000000000, -0.0007387900000000 ] - [ 0.0010297500000000, 0.0000000000000000, -0.0002109200000000 ] - [ 0.0009109900000000, -0.0004688000000000, -0.0001698100000000 ] - [ 0.0009109900000000, 0.0004688000000000, -0.0001698100000000 ] - [ -0.0019949200000000, -0.0008990200000000, -0.0003185100000000 ] - [ -0.0007670900000000, 0.0000000000000000, 0.0002043000000000 ] - [ -0.0019949200000000, 0.0008990200000000, -0.0003185100000000 ] - [ 0.0058908700000000, -0.0105726500000000, 0.0102177300000000 ] - [ 0.0007526600000000, 0.0000000000000000, -0.0002879000000000 ] - [ 0.0058908700000000, 0.0105726500000000, 0.0102177300000000 ] - [ -0.0112666000000000, 0.0000000000000000, 0.0063259000000000 ] - [ -0.0018843100000000, 0.0003258000000000, 0.0020491600000000 ] - [ -0.0018843100000000, -0.0003258000000000, 0.0020491600000000 ] - [ -0.0020705700000000, 0.0046331100000000, -0.0063389800000000 ] - [ -0.0004613500000000, 0.0000000000000000, -0.0008944200000000 ] - [ -0.0020705700000000, -0.0046331100000000, -0.0063389800000000 ] - [ 0.0009022800000000, -0.0000414800000000, 0.0001412500000000 ] - [ 0.0005562100000000, 0.0000000000000000, 0.0003679000000000 ] - [ 0.0009022800000000, 0.0000414800000000, 0.0001412500000000 ] - [ -0.0065979100000000, 0.0000000000000000, -0.0001685300000000 ] - [ -0.0000784700000000, -0.0004630200000000, -0.0007504100000000 ] - [ -0.0000784700000000, 0.0004630200000000, -0.0007504100000000 ] - [ -0.0125648100000000, 0.0000000000000000, 0.0132964500000000 ] - [ -0.0011960300000000, -0.0004803000000000, 0.0016373400000000 ] - [ -0.0011960300000000, 0.0004803000000000, 0.0016373400000000 ] - [ 0.0063173000000000, 0.0000000000000000, 0.0046286500000000 ] - [ 0.0019885300000000, -0.0021129000000000, 0.0009428300000000 ] - [ 0.0019885300000000, 0.0021129000000000, 0.0009428300000000 ] - [ -0.0057543300000000, 0.0023453200000000, 0.0077027000000000 ] - [ -0.0000239100000000, 0.0000000000000000, 0.0013692900000000 ] - [ -0.0057543300000000, -0.0023453200000000, 0.0077027000000000 ] - [ 0.0059939900000000, 0.0000000000000000, -0.0090684300000000 ] - [ 0.0005643500000000, -0.0011114000000000, -0.0023958600000000 ] - [ 0.0005643500000000, 0.0011114000000000, -0.0023958600000000 ] - [ -0.0050971500000000, 0.0063358300000000, 0.0152763900000000 ] - [ -0.0003655700000000, 0.0000000000000000, -0.0001385300000000 ] - [ -0.0050971500000000, -0.0063358300000000, 0.0152763900000000 ] - [ -0.0021198300000000, 0.0000258100000000, -0.0031728000000000 ] - [ -0.0005258300000000, 0.0000000000000000, -0.0003613000000000 ] - [ -0.0021198300000000, -0.0000258100000000, -0.0031728000000000 ] - [ -0.0062117600000000, 0.0000000000000000, 0.0087698300000000 ] - [ -0.0013611000000000, -0.0002861100000000, 0.0014857600000000 ] - [ -0.0013611000000000, 0.0002861100000000, 0.0014857600000000 ] - [ 0.0001924400000000, 0.0002775900000000, -0.0002268700000000 ] - [ 0.0000792900000000, 0.0000000000000000, -0.0001657800000000 ] - [ 0.0001924400000000, -0.0002775900000000, -0.0002268700000000 ] - [ -0.0014652400000000, 0.0000000000000000, -0.0002597900000000 ] - [ -0.0009905600000000, -0.0000761400000000, -0.0004896600000000 ] - [ -0.0009905600000000, 0.0000761400000000, -0.0004896600000000 ] - [ 0.0001905000000000, 0.0009721600000000, 0.0011942100000000 ] - [ 0.0000422400000000, 0.0000000000000000, 0.0003151100000000 ] - [ 0.0001905000000000, -0.0009721600000000, 0.0011942100000000 ] - [ 0.0021143600000000, 0.0000000000000000, -0.0008452800000000 ] - [ -0.0002820600000000, 0.0001946400000000, -0.0002240800000000 ] - [ -0.0002820600000000, -0.0001946400000000, -0.0002240800000000 ] - [ -0.0018999000000000, 0.0001782400000000, -0.0007634300000000 ] - [ -0.0006841600000000, 0.0000000000000000, -0.0002511500000000 ] - [ -0.0018999000000000, -0.0001782400000000, -0.0007634300000000 ] - [ 0.0018461400000000, 0.0000000000000000, 0.0002457900000000 ] - [ 0.0005758400000000, 0.0000903100000000, -0.0001322600000000 ] - [ 0.0005758400000000, -0.0000903100000000, -0.0001322600000000 ] - [ -0.0005296700000000, 0.0000000000000000, -0.0058458400000000 ] - [ -0.0001636900000000, 0.0018611300000000, -0.0018834100000000 ] - [ -0.0001636900000000, -0.0018611300000000, -0.0018834100000000 ] - [ 0.0012899300000000, -0.0011328200000000, 0.0011603200000000 ] - [ 0.0007346400000000, 0.0000000000000000, 0.0001882900000000 ] - [ 0.0012899300000000, 0.0011328200000000, 0.0011603200000000 ] - [ -0.0071991700000000, 0.0000000000000000, 0.0147704100000000 ] - [ 0.0005206000000000, 0.0021716200000000, 0.0005312300000000 ] - [ 0.0005206000000000, -0.0021716200000000, 0.0005312300000000 ] - [ 0.0021691600000000, 0.0002468800000000, -0.0053822300000000 ] - [ 0.0003128900000000, 0.0000000000000000, -0.0012346900000000 ] - [ 0.0021691600000000, -0.0002468800000000, -0.0053822300000000 ]- atom: 4 displacement: [ 0.0050732117389922, 0.0000000000000000, -0.0086175705771030 ] forces: - [ 0.0057805300000000, -0.0136783800000000, -0.0219369000000000 ] - [ 0.0006449300000000, 0.0000000000000000, -0.0018864000000000 ] - [ 0.0057805300000000, 0.0136783800000000, -0.0219369000000000 ] - [ -0.0416875600000000, 0.0000000000000000, 0.1038044700000000 ] - [ -0.0011351400000000, -0.0024562000000000, 0.0073634800000000 ] - [ -0.0011351400000000, 0.0024562000000000, 0.0073634800000000 ] - [ 0.0022033600000000, 0.0000000000000000, -0.0028360100000000 ] - [ 0.0001614900000000, -0.0004909500000000, -0.0010014700000000 ] - [ 0.0001614900000000, 0.0004909500000000, -0.0010014700000000 ] - [ -0.0088897100000000, 0.0013336000000000, 0.0015898300000000 ] - [ -0.0012730600000000, 0.0000000000000000, 0.0005003900000000 ] - [ -0.0088897100000000, -0.0013336000000000, 0.0015898300000000 ] - [ -0.0006057600000000, 0.0000000000000000, -0.0007316200000000 ] - [ -0.0004701300000000, 0.0004666600000000, -0.0007640700000000 ] - [ -0.0004701300000000, -0.0004666600000000, -0.0007640700000000 ] - [ 0.0011855800000000, 0.0008983800000000, 0.0002321900000000 ] - [ -0.0000358400000000, 0.0000000000000000, -0.0002902300000000 ] - [ 0.0011855800000000, -0.0008983800000000, 0.0002321900000000 ] - [ -0.0052013900000000, 0.0107116400000000, -0.0102174000000000 ] - [ 0.0000323900000000, 0.0000000000000000, 0.0003793500000000 ] - [ -0.0052013900000000, -0.0107116400000000, -0.0102174000000000 ] - [ 0.0107234700000000, 0.0000000000000000, -0.0054090700000000 ] - [ 0.0014226700000000, -0.0003125000000000, -0.0011402300000000 ] - [ 0.0014226700000000, 0.0003125000000000, -0.0011402300000000 ] - [ 0.0016894600000000, -0.0046305300000000, 0.0051486900000000 ] - [ 0.0000267200000000, 0.0000000000000000, -0.0002442900000000 ] - [ 0.0016894600000000, 0.0046305300000000, 0.0051486900000000 ] - [ -0.0004642500000000, 0.0000406500000000, 0.0009892300000000 ] - [ -0.0001181700000000, 0.0000000000000000, 0.0007611900000000 ] - [ -0.0004642500000000, -0.0000406500000000, 0.0009892300000000 ] - [ 0.0061170300000000, 0.0000000000000000, -0.0009249900000000 ] - [ -0.0003718200000000, 0.0004638200000000, -0.0003761200000000 ] - [ -0.0003718200000000, -0.0004638200000000, -0.0003761200000000 ] - [ 0.0131154000000000, 0.0000000000000000, -0.0123482900000000 ] - [ 0.0016402200000000, 0.0004831700000000, -0.0005044600000000 ] - [ 0.0016402200000000, -0.0004831700000000, -0.0005044600000000 ] - [ -0.0063718700000000, 0.0000000000000000, -0.0030021600000000 ] - [ -0.0012950000000000, 0.0021029200000000, -0.0000655100000000 ] - [ -0.0012950000000000, -0.0021029200000000, -0.0000655100000000 ] - [ 0.0051753300000000, -0.0023396400000000, -0.0077600900000000 ] - [ -0.0005670600000000, 0.0000000000000000, -0.0013822800000000 ] - [ 0.0051753300000000, 0.0023396400000000, -0.0077600900000000 ] - [ -0.0063453700000000, 0.0000000000000000, 0.0079558300000000 ] - [ -0.0009013300000000, 0.0011020900000000, 0.0012767200000000 ] - [ -0.0009013300000000, -0.0011020900000000, 0.0012767200000000 ] - [ 0.0055997500000000, -0.0059326800000000, -0.0146914700000000 ] - [ 0.0007794700000000, 0.0000000000000000, 0.0005172500000000 ] - [ 0.0055997500000000, 0.0059326800000000, -0.0146914700000000 ] - [ 0.0016642200000000, -0.0000422400000000, 0.0028225100000000 ] - [ 0.0000994900000000, 0.0000000000000000, 0.0000053000000000 ] - [ 0.0016642200000000, 0.0000422400000000, 0.0028225100000000 ] - [ 0.0067452200000000, 0.0000000000000000, -0.0075620200000000 ] - [ 0.0017073000000000, 0.0002946900000000, -0.0003832000000000 ] - [ 0.0017073000000000, -0.0002946900000000, -0.0003832000000000 ] - [ 0.0003889300000000, -0.0002784500000000, 0.0002255900000000 ] - [ 0.0005010600000000, 0.0000000000000000, 0.0001666400000000 ] - [ 0.0003889300000000, 0.0002784500000000, 0.0002255900000000 ] - [ 0.0007589800000000, 0.0000000000000000, -0.0005679900000000 ] - [ 0.0002853100000000, 0.0000847600000000, -0.0003532200000000 ] - [ 0.0002853100000000, -0.0000847600000000, -0.0003532200000000 ] - [ 0.0005393600000000, -0.0009674200000000, -0.0003374400000000 ] - [ 0.0006727000000000, 0.0000000000000000, 0.0005396100000000 ] - [ 0.0005393600000000, 0.0009674200000000, -0.0003374400000000 ] - [ -0.0026726900000000, 0.0000000000000000, 0.0008228500000000 ] - [ -0.0002943500000000, -0.0001951300000000, 0.0002177600000000 ] - [ -0.0002943500000000, 0.0001951300000000, 0.0002177600000000 ] - [ 0.0015868200000000, -0.0001797800000000, -0.0003521600000000 ] - [ 0.0003597700000000, 0.0000000000000000, -0.0008637900000000 ] - [ 0.0015868200000000, 0.0001797800000000, -0.0003521600000000 ] - [ -0.0014177700000000, 0.0000000000000000, 0.0001248600000000 ] - [ -0.0001490600000000, -0.0000902000000000, 0.0004976800000000 ] - [ -0.0001490600000000, 0.0000902000000000, 0.0004976800000000 ] - [ 0.0001392200000000, 0.0000000000000000, 0.0055159100000000 ] - [ -0.0002471700000000, -0.0018809300000000, 0.0015310200000000 ] - [ -0.0002471700000000, 0.0018809300000000, 0.0015310200000000 ] - [ -0.0009593900000000, 0.0011250700000000, -0.0000309500000000 ] - [ -0.0004054900000000, 0.0000000000000000, 0.0009318600000000 ] - [ -0.0009593900000000, -0.0011250700000000, -0.0000309500000000 ] - [ 0.0083148300000000, 0.0000000000000000, -0.0163030900000000 ] - [ 0.0000674000000000, -0.0021909100000000, -0.0005498600000000 ] - [ 0.0000674000000000, 0.0021909100000000, -0.0005498600000000 ] - [ -0.0028690400000000, -0.0002713700000000, 0.0045420300000000 ] - [ -0.0010265800000000, 0.0000000000000000, 0.0003822900000000 ] - [ -0.0028690400000000, 0.0002713700000000, 0.0045420300000000 ]- atom: 25 displacement: [ 0.0099999474480149, 0.0000000000000000, -0.0000324196998736 ] forces: - [ -0.0013127100000000, 0.0000000000000000, 0.0043850500000000 ] - [ -0.0000734400000000, 0.0010236000000000, 0.0005433500000000 ] - [ -0.0000734400000000, -0.0010236000000000, 0.0005433500000000 ] - [ 0.0112082900000000, -0.0129243800000000, 0.0046122500000000 ] - [ 0.0112082900000000, 0.0129243800000000, 0.0046122500000000 ] - [ -0.0002695700000000, 0.0000000000000000, -0.0002472700000000 ] - [ 0.0016693200000000, 0.0006802200000000, 0.0015887400000000 ] - [ 0.0016693200000000, -0.0006802200000000, 0.0015887400000000 ] - [ 0.0007928700000000, 0.0000000000000000, 0.0006707900000000 ] - [ 0.0025343500000000, 0.0000000000000000, 0.0018926900000000 ] - [ 0.0009083000000000, 0.0001338800000000, 0.0011022200000000 ] - [ 0.0009083000000000, -0.0001338800000000, 0.0011022200000000 ] - [ 0.0012262100000000, 0.0002659600000000, -0.0020802400000000 ] - [ 0.0012262100000000, -0.0002659600000000, -0.0020802400000000 ] - [ 0.0004006200000000, 0.0000000000000000, -0.0008911300000000 ] - [ 0.0145897700000000, 0.0000000000000000, 0.0014503700000000 ] - [ 0.0004929800000000, -0.0018493600000000, 0.0006564100000000 ] - [ 0.0004929800000000, 0.0018493600000000, 0.0006564100000000 ] - [ 0.0044598700000000, 0.0000000000000000, -0.0125075500000000 ] - [ 0.0003724600000000, 0.0007950700000000, -0.0016182800000000 ] - [ 0.0003724600000000, -0.0007950700000000, -0.0016182800000000 ] - [ -0.0020136800000000, 0.0111059500000000, -0.0114949900000000 ] - [ -0.0020136800000000, -0.0111059500000000, -0.0114949900000000 ] - [ -0.0008414800000000, 0.0000000000000000, -0.0000284400000000 ] - [ -0.3020960800000000, 0.0000000000000000, 0.1482609700000000 ] - [ -0.0022724400000000, 0.0002212500000000, 0.0000695800000000 ] - [ -0.0022724400000000, -0.0002212500000000, 0.0000695800000000 ] - [ -0.0026804800000000, 0.0000000000000000, 0.0035896800000000 ] - [ -0.0000939800000000, -0.0000739700000000, 0.0007706400000000 ] - [ -0.0000939800000000, 0.0000739700000000, 0.0007706400000000 ] - [ 0.0010274000000000, 0.0000342300000000, -0.0010390100000000 ] - [ 0.0010274000000000, -0.0000342300000000, -0.0010390100000000 ] - [ 0.0002408700000000, 0.0000000000000000, -0.0007063000000000 ] - [ 0.0008003000000000, 0.0002748500000000, -0.0002812800000000 ] - [ 0.0008003000000000, -0.0002748500000000, -0.0002812800000000 ] - [ 0.0001642100000000, 0.0000000000000000, 0.0002743100000000 ] - [ 0.0047171600000000, 0.0009265600000000, -0.0017049300000000 ] - [ 0.0047171600000000, -0.0009265600000000, -0.0017049300000000 ] - [ 0.0011635400000000, 0.0000000000000000, 0.0005250500000000 ] - [ 0.1409696300000000, 0.0000000000000000, -0.0706103400000000 ] - [ 0.0005749600000000, -0.0015387300000000, 0.0002317900000000 ] - [ 0.0005749600000000, 0.0015387300000000, 0.0002317900000000 ] - [ -0.0007429100000000, 0.0001283500000000, -0.0009006900000000 ] - [ -0.0007429100000000, -0.0001283500000000, -0.0009006900000000 ] - [ -0.0001331400000000, 0.0000000000000000, -0.0009933100000000 ] - [ -0.0031320400000000, 0.0000000000000000, -0.0038899300000000 ] - [ -0.0002364400000000, -0.0018404200000000, -0.0012434200000000 ] - [ -0.0002364400000000, 0.0018404200000000, -0.0012434200000000 ] - [ -0.0011572700000000, 0.0000000000000000, -0.0016742500000000 ] - [ -0.0006983700000000, 0.0001360900000000, -0.0007937300000000 ] - [ -0.0006983700000000, -0.0001360900000000, -0.0007937300000000 ] - [ -0.0020360100000000, 0.0002356500000000, 0.0003593300000000 ] - [ -0.0020360100000000, -0.0002356500000000, 0.0003593300000000 ] - [ -0.0004971200000000, 0.0000000000000000, 0.0005965800000000 ] - [ 0.0002868500000000, 0.0000000000000000, -0.0031640000000000 ] - [ 0.0003094600000000, 0.0002858000000000, -0.0005701800000000 ] - [ 0.0003094600000000, -0.0002858000000000, -0.0005701800000000 ] - [ -0.0009841700000000, -0.0001058500000000, -0.0011616400000000 ] - [ -0.0009841700000000, 0.0001058500000000, -0.0011616400000000 ] - [ -0.0006320700000000, 0.0000000000000000, -0.0006780600000000 ] - [ -0.0017777600000000, 0.0000000000000000, 0.0015097900000000 ] - [ -0.0004283600000000, 0.0002724000000000, 0.0005176500000000 ] - [ -0.0004283600000000, -0.0002724000000000, 0.0005176500000000 ] - [ -0.0016218400000000, -0.0008042200000000, -0.0004883800000000 ] - [ -0.0016218400000000, 0.0008042200000000, -0.0004883800000000 ] - [ -0.0007541000000000, 0.0000000000000000, -0.0002363300000000 ] - [ 0.0020491800000000, 0.0000000000000000, 0.0014128700000000 ] - [ 0.0001480100000000, 0.0000685300000000, -0.0002412700000000 ] - [ 0.0001480100000000, -0.0000685300000000, -0.0002412700000000 ] - [ -0.0026828400000000, -0.0032307200000000, 0.0018319100000000 ] - [ -0.0026828400000000, 0.0032307200000000, 0.0018319100000000 ] - [ 0.0001380700000000, 0.0000000000000000, 0.0006743400000000 ] - [ -0.0007926000000000, 0.0012977300000000, 0.0031735800000000 ] - [ -0.0007926000000000, -0.0012977300000000, 0.0031735800000000 ] - [ -0.0001583600000000, 0.0000000000000000, 0.0003990400000000 ] - [ 0.1287473200000000, 0.0000000000000000, -0.0647030200000000 ] - [ 0.0012698600000000, 0.0014409100000000, 0.0000132100000000 ] - [ 0.0012698600000000, -0.0014409100000000, 0.0000132100000000 ] - [ -0.0016678100000000, 0.0011298600000000, 0.0019071500000000 ] - [ -0.0016678100000000, -0.0011298600000000, 0.0019071500000000 ] - [ 0.0000363700000000, 0.0000000000000000, 0.0004655400000000 ] - [ 0.0005612400000000, 0.0000000000000000, 0.0046654800000000 ] - [ 0.0007739000000000, 0.0012493500000000, 0.0010189300000000 ] - [ 0.0007739000000000, -0.0012493500000000, 0.0010189300000000 ]- atom: 25 displacement: [ -0.0099999474480149, 0.0000000000000000, 0.0000324196998736 ] forces: - [ 0.0017405000000000, 0.0000000000000000, -0.0053066600000000 ] - [ 0.0005257800000000, -0.0010333500000000, -0.0014756200000000 ] - [ 0.0005257800000000, 0.0010333500000000, -0.0014756200000000 ] - [ -0.0118945200000000, 0.0127917900000000, -0.0046687400000000 ] - [ -0.0118945200000000, -0.0127917900000000, -0.0046687400000000 ] - [ -0.0005300500000000, 0.0000000000000000, 0.0001638800000000 ] - [ -0.0008801500000000, -0.0006886000000000, -0.0015127100000000 ] - [ -0.0008801500000000, 0.0006886000000000, -0.0015127100000000 ] - [ 0.0000016300000000, 0.0000000000000000, -0.0005914400000000 ] - [ -0.0029868400000000, 0.0000000000000000, -0.0009648400000000 ] - [ -0.0013679000000000, -0.0001307600000000, -0.0001772900000000 ] - [ -0.0013679000000000, 0.0001307600000000, -0.0001772900000000 ] - [ -0.0007633800000000, -0.0002694600000000, 0.0011557600000000 ] - [ -0.0007633800000000, 0.0002694600000000, 0.0011557600000000 ] - [ 0.0000600000000000, 0.0000000000000000, -0.0000334600000000 ] - [ -0.0154553200000000, 0.0000000000000000, -0.0014809000000000 ] - [ -0.0012901500000000, 0.0018547800000000, -0.0007361100000000 ] - [ -0.0012901500000000, -0.0018547800000000, -0.0007361100000000 ] - [ -0.0036449600000000, 0.0000000000000000, 0.0126068700000000 ] - [ 0.0004265400000000, -0.0007960100000000, 0.0017006000000000 ] - [ 0.0004265400000000, 0.0007960100000000, 0.0017006000000000 ] - [ 0.0015713700000000, -0.0111211400000000, 0.0124552000000000 ] - [ 0.0015713700000000, 0.0111211400000000, 0.0124552000000000 ] - [ 0.0003874100000000, 0.0000000000000000, 0.0009543000000000 ] - [ 0.3008547000000000, 0.0000000000000000, -0.1496120100000000 ] - [ 0.0018353400000000, -0.0002243400000000, -0.0011980400000000 ] - [ 0.0018353400000000, 0.0002243400000000, -0.0011980400000000 ] - [ 0.0031356800000000, 0.0000000000000000, -0.0025111500000000 ] - [ 0.0005361000000000, 0.0000745800000000, 0.0003608600000000 ] - [ 0.0005361000000000, -0.0000745800000000, 0.0003608600000000 ] - [ -0.0014674700000000, -0.0000340200000000, -0.0000933000000000 ] - [ -0.0014674700000000, 0.0000340200000000, -0.0000933000000000 ] - [ -0.0006815500000000, 0.0000000000000000, -0.0004255100000000 ] - [ -0.0003604300000000, -0.0002763500000000, 0.0014126600000000 ] - [ -0.0003604300000000, 0.0002763500000000, 0.0014126600000000 ] - [ 0.0002775300000000, 0.0000000000000000, 0.0008566600000000 ] - [ -0.0039855900000000, -0.0009636700000000, 0.0025985300000000 ] - [ -0.0039855900000000, 0.0009636700000000, 0.0025985300000000 ] - [ -0.0004534500000000, 0.0000000000000000, 0.0003284100000000 ] - [ -0.1353002500000000, 0.0000000000000000, 0.0664715700000000 ] - [ -0.0011540900000000, 0.0015345700000000, -0.0002330800000000 ] - [ -0.0011540900000000, -0.0015345700000000, -0.0002330800000000 ] - [ 0.0004175600000000, -0.0001270700000000, -0.0002103600000000 ] - [ 0.0004175600000000, 0.0001270700000000, -0.0002103600000000 ] - [ -0.0001966700000000, 0.0000000000000000, -0.0001169900000000 ] - [ 0.0035481300000000, 0.0000000000000000, 0.0042295900000000 ] - [ 0.0006622300000000, 0.0018361800000000, 0.0016003600000000 ] - [ 0.0006622300000000, -0.0018361800000000, 0.0016003600000000 ] - [ 0.0007441900000000, 0.0000000000000000, 0.0013092000000000 ] - [ 0.0002832200000000, -0.0001380300000000, 0.0004321300000000 ] - [ 0.0002832200000000, 0.0001380300000000, 0.0004321300000000 ] - [ 0.0023639100000000, -0.0002335500000000, 0.0007562200000000 ] - [ 0.0023639100000000, 0.0002335500000000, 0.0007562200000000 ] - [ 0.0008292400000000, 0.0000000000000000, 0.0005186600000000 ] - [ 0.0002887200000000, 0.0000000000000000, 0.0031758400000000 ] - [ 0.0002734100000000, -0.0002885300000000, 0.0005723100000000 ] - [ 0.0002734100000000, 0.0002885300000000, 0.0005723100000000 ] - [ 0.0002743600000000, 0.0001093400000000, 0.0003080300000000 ] - [ 0.0002743600000000, -0.0001093400000000, 0.0003080300000000 ] - [ -0.0000775700000000, 0.0000000000000000, -0.0001765300000000 ] - [ 0.0024888000000000, 0.0000000000000000, -0.0006596700000000 ] - [ 0.0011388800000000, -0.0002739800000000, 0.0003363000000000 ] - [ 0.0011388800000000, 0.0002739800000000, 0.0003363000000000 ] - [ 0.0010424600000000, 0.0008054900000000, 0.0004871900000000 ] - [ 0.0010424600000000, -0.0008054900000000, 0.0004871900000000 ] - [ 0.0001719400000000, 0.0000000000000000, 0.0002354100000000 ] - [ -0.0023929100000000, 0.0000000000000000, -0.0025211200000000 ] - [ -0.0004805000000000, -0.0000690300000000, -0.0008736500000000 ] - [ -0.0004805000000000, 0.0000690300000000, -0.0008736500000000 ] - [ 0.0031026900000000, 0.0032269800000000, -0.0014796300000000 ] - [ 0.0031026900000000, -0.0032269800000000, -0.0014796300000000 ] - [ 0.0002800400000000, 0.0000000000000000, -0.0003110700000000 ] - [ 0.0003704100000000, -0.0013024800000000, -0.0035406100000000 ] - [ 0.0003704100000000, 0.0013024800000000, -0.0035406100000000 ] - [ -0.0002625000000000, 0.0000000000000000, -0.0007635000000000 ] - [ -0.1341010000000000, 0.0000000000000000, 0.0700165000000000 ] - [ -0.0009431300000000, -0.0014449600000000, 0.0011000500000000 ] - [ -0.0009431300000000, 0.0014449600000000, 0.0011000500000000 ] - [ 0.0022515200000000, -0.0011376100000000, -0.0019046200000000 ] - [ 0.0022515200000000, 0.0011376100000000, -0.0019046200000000 ] - [ 0.0005454400000000, 0.0000000000000000, -0.0004634500000000 ] - [ -0.0012722100000000, 0.0000000000000000, -0.0055250800000000 ] - [ -0.0014878100000000, -0.0012513100000000, -0.0018742100000000 ] - [ -0.0014878100000000, 0.0012513100000000, -0.0018742100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002330500000000, -0.0052642300000000, -0.0004640700000000 ] - [ 0.0010199100000000, 0.0022151200000000, 0.0009245900000000 ] - [ -0.0005517800000000, 0.0022040900000000, -0.0018488900000000 ] - [ -0.0072900900000000, 0.0010933900000000, 0.0012441600000000 ] - [ 0.0065503300000000, 0.0010555400000000, -0.0013585300000000 ] - [ -0.0003914600000000, 0.0012832100000000, -0.0000432200000000 ] - [ 0.0003327500000000, -0.0002471700000000, 0.0000543700000000 ] - [ 0.0004636500000000, -0.0002527200000000, 0.0000360400000000 ] - [ 0.0003973400000000, 0.0004990100000000, 0.0000419200000000 ] - [ -0.0002276200000000, -0.0001936000000000, 0.0004682600000000 ] - [ 0.0000552200000000, 0.0001096900000000, 0.0004954700000000 ] - [ -0.0005068600000000, 0.0001134400000000, 0.0004427900000000 ] - [ 0.0002408700000000, -0.0001001400000000, -0.0001519500000000 ] - [ 0.0002238900000000, -0.0001100100000000, -0.0007844000000000 ] - [ 0.0002291300000000, 0.0002600600000000, -0.0004697500000000 ] - [ -0.0003751400000000, 0.0005746400000000, -0.0000353300000000 ] - [ -0.0010102600000000, 0.0000270700000000, 0.0001365500000000 ] - [ 0.0002156800000000, 0.0000346000000000, -0.0002186400000000 ] - [ 0.0003845700000000, 0.0003182600000000, 0.0000577400000000 ] - [ 0.0007118700000000, 0.0002720300000000, -0.0003335600000000 ] - [ 0.0000750700000000, 0.0002851100000000, 0.0004107400000000 ] - [ 0.0049037300000000, 0.0009070300000000, -0.0036511800000000 ] - [ -0.0054114200000000, 0.0008625400000000, 0.0046088100000000 ] - [ -0.0002337000000000, 0.0011156000000000, 0.0004706300000000 ] - [ -0.0002523700000000, -0.0310955000000000, -0.0006063000000000 ] - [ -0.0004474300000000, 0.0004716600000000, -0.0009956000000000 ] - [ 0.0000007400000000, 0.0004792600000000, -0.0001473500000000 ] - [ 0.0002293300000000, -0.0000304500000000, 0.0005812600000000 ] - [ 0.0001463400000000, 0.0000231300000000, 0.0003934800000000 ] - [ 0.0002959400000000, 0.0000244200000000, 0.0007388900000000 ] - [ -0.0002538700000000, 0.0000022200000000, -0.0005408400000000 ] - [ -0.0001858300000000, 0.0000014200000000, -0.0005922600000000 ] - [ -0.0002197900000000, 0.0000070900000000, -0.0005667100000000 ] - [ 0.0004915600000000, 0.0001786400000000, 0.0003227700000000 ] - [ -0.0000582300000000, 0.0001767300000000, 0.0008145100000000 ] - [ 0.0002199900000000, -0.0000292000000000, 0.0005676700000000 ] - [ 0.0015418100000000, -0.0000080100000000, 0.0027322900000000 ] - [ -0.0008235600000000, 0.0000123000000000, -0.0018688000000000 ] - [ 0.0003572600000000, -0.0013227500000000, 0.0004281200000000 ] - [ -0.0004446800000000, 0.0117026600000000, 0.0000896200000000 ] - [ -0.0005704000000000, -0.0003898300000000, 0.0002092800000000 ] - [ -0.0000120200000000, -0.0003977600000000, -0.0002077400000000 ] - [ -0.0001543500000000, 0.0002405300000000, -0.0000155600000000 ] - [ -0.0001759800000000, 0.0002409400000000, -0.0011081600000000 ] - [ -0.0001678100000000, -0.0007268400000000, -0.0005585600000000 ] - [ 0.0002098700000000, 0.0014958600000000, 0.0001881700000000 ] - [ -0.0003566500000000, -0.0003850000000000, 0.0005104500000000 ] - [ 0.0007716000000000, -0.0003855800000000, -0.0001476100000000 ] - [ -0.0002152100000000, 0.0001903000000000, -0.0001805900000000 ] - [ -0.0005738500000000, -0.0000914800000000, -0.0003993800000000 ] - [ 0.0001452200000000, -0.0000942200000000, 0.0000369800000000 ] - [ 0.0004826100000000, 0.0000877400000000, 0.0006320200000000 ] - [ -0.0001488000000000, 0.0000894100000000, 0.0004821500000000 ] - [ 0.0001631200000000, -0.0001305300000000, 0.0005560800000000 ] - [ 0.0002928600000000, 0.0002352300000000, -0.0000069700000000 ] - [ 0.0004745500000000, -0.0000987400000000, 0.0000516000000000 ] - [ 0.0001107000000000, -0.0001008200000000, -0.0000498400000000 ] - [ -0.0003094700000000, 0.0001773800000000, -0.0004034200000000 ] - [ -0.0004080500000000, 0.0001812400000000, -0.0004541300000000 ] - [ -0.0003579900000000, -0.0002735800000000, -0.0004289400000000 ] - [ 0.0003535400000000, 0.0000841100000000, 0.0004305600000000 ] - [ 0.0002899100000000, -0.0000130800000000, 0.0004139800000000 ] - [ 0.0004232200000000, -0.0000169200000000, 0.0004418000000000 ] - [ -0.0003007700000000, -0.0000024400000000, 0.0000033000000000 ] - [ -0.0002870300000000, 0.0000049100000000, -0.0000092700000000 ] - [ -0.0002921400000000, -0.0000973300000000, -0.0000019700000000 ] - [ -0.0001728800000000, 0.0001702800000000, -0.0005584500000000 ] - [ -0.0001570000000000, -0.0000773700000000, -0.0003324900000000 ] - [ -0.0001753200000000, -0.0000801700000000, -0.0007768300000000 ] - [ 0.0006525500000000, 0.0012109600000000, -0.0000332500000000 ] - [ -0.0002292300000000, 0.0012313200000000, 0.0003892900000000 ] - [ 0.0002135300000000, -0.0003443600000000, 0.0001799400000000 ] - [ -0.0005166300000000, 0.0000612800000000, 0.0000452700000000 ] - [ 0.0000939900000000, 0.0000749100000000, -0.0004046400000000 ] - [ -0.0002090200000000, -0.0003242800000000, -0.0001809400000000 ] - [ 0.0003177100000000, 0.0099175600000000, 0.0004757300000000 ] - [ 0.0006077000000000, -0.0003910300000000, 0.0003951900000000 ] - [ -0.0002732100000000, -0.0003990900000000, 0.0007181200000000 ] - [ -0.0002472800000000, 0.0005532100000000, 0.0001865100000000 ] - [ 0.0008349000000000, 0.0005682700000000, -0.0001838900000000 ] - [ 0.0002932500000000, -0.0002037600000000, 0.0000018300000000 ] - [ -0.0003471100000000, 0.0009332800000000, -0.0004274300000000 ] - [ -0.0000014400000000, -0.0001893400000000, -0.0005829700000000 ] - [ -0.0007071000000000, -0.0001913600000000, -0.0002785200000000 ]- atom: 25 displacement: [ -0.0050732117389922, 0.0000000000000000, 0.0086175705771030 ] forces: - [ 0.0057882300000000, 0.0000000000000000, 0.0022208300000000 ] - [ 0.0014269300000000, 0.0010006500000000, -0.0001212300000000 ] - [ 0.0014269300000000, -0.0010006500000000, -0.0001212300000000 ] - [ -0.0070855400000000, 0.0113428900000000, -0.0086079600000000 ] - [ -0.0070855400000000, -0.0113428900000000, -0.0086079600000000 ] - [ -0.0003629500000000, 0.0000000000000000, -0.0002107500000000 ] - [ 0.0005927700000000, 0.0000621500000000, -0.0006679700000000 ] - [ 0.0005927700000000, -0.0000621500000000, -0.0006679700000000 ] - [ 0.0005634100000000, 0.0000000000000000, -0.0002598500000000 ] - [ -0.0015186400000000, 0.0000000000000000, -0.0000446100000000 ] - [ -0.0006741000000000, -0.0002947500000000, 0.0001711100000000 ] - [ -0.0006741000000000, 0.0002947500000000, 0.0001711100000000 ] - [ -0.0009207300000000, 0.0005409700000000, 0.0019409700000000 ] - [ -0.0009207300000000, -0.0005409700000000, 0.0019409700000000 ] - [ -0.0000539000000000, 0.0000000000000000, 0.0000652800000000 ] - [ -0.0110127200000000, 0.0000000000000000, -0.0021756200000000 ] - [ -0.0012077900000000, 0.0014678800000000, -0.0008022600000000 ] - [ -0.0012077900000000, -0.0014678800000000, -0.0008022600000000 ] - [ -0.0067426500000000, 0.0000000000000000, 0.0161810800000000 ] - [ -0.0000637100000000, -0.0010732800000000, 0.0016739700000000 ] - [ -0.0000637100000000, 0.0010732800000000, 0.0016739700000000 ] - [ -0.0041597400000000, -0.0114387200000000, 0.0133787700000000 ] - [ -0.0041597400000000, 0.0114387200000000, 0.0133787700000000 ] - [ -0.0001904400000000, 0.0000000000000000, 0.0008681500000000 ] - [ 0.2806862800000000, 0.0000000000000000, -0.1770695600000000 ] - [ 0.0013628300000000, 0.0002503600000000, -0.0019817700000000 ] - [ 0.0013628300000000, -0.0002503600000000, -0.0019817700000000 ] - [ 0.0042941700000000, 0.0000000000000000, 0.0003250500000000 ] - [ 0.0005551600000000, -0.0001104000000000, 0.0003486100000000 ] - [ 0.0005551600000000, 0.0001104000000000, 0.0003486100000000 ] - [ -0.0012586100000000, -0.0000394300000000, -0.0001156400000000 ] - [ -0.0012586100000000, 0.0000394300000000, -0.0001156400000000 ] - [ -0.0005743000000000, 0.0000000000000000, -0.0003929600000000 ] - [ -0.0007984100000000, -0.0003528600000000, 0.0018555300000000 ] - [ -0.0007984100000000, 0.0003528600000000, 0.0018555300000000 ] - [ 0.0000000300000000, 0.0000000000000000, 0.0009664200000000 ] - [ -0.0039323800000000, 0.0011039400000000, 0.0020797700000000 ] - [ -0.0039323800000000, -0.0011039400000000, 0.0020797700000000 ] - [ -0.0000851100000000, 0.0000000000000000, 0.0009363400000000 ] - [ -0.1205556100000000, 0.0000000000000000, 0.0727275200000000 ] - [ -0.0011161400000000, 0.0015379100000000, 0.0002291100000000 ] - [ -0.0011161400000000, -0.0015379100000000, 0.0002291100000000 ] - [ 0.0001363400000000, 0.0001412700000000, -0.0012349600000000 ] - [ 0.0001363400000000, -0.0001412700000000, -0.0012349600000000 ] - [ -0.0002344100000000, 0.0000000000000000, -0.0008911300000000 ] - [ 0.0012704300000000, 0.0000000000000000, 0.0049249700000000 ] - [ -0.0001193100000000, 0.0016328200000000, 0.0020007800000000 ] - [ -0.0001193100000000, -0.0016328200000000, 0.0020007800000000 ] - [ -0.0005913600000000, 0.0000000000000000, 0.0004030700000000 ] - [ -0.0005012200000000, 0.0000352500000000, 0.0000849400000000 ] - [ -0.0005012200000000, -0.0000352500000000, 0.0000849400000000 ] - [ 0.0018254400000000, -0.0001766100000000, 0.0006881800000000 ] - [ 0.0018254400000000, 0.0001766100000000, 0.0006881800000000 ] - [ 0.0005698200000000, 0.0000000000000000, 0.0004057600000000 ] - [ 0.0001238500000000, 0.0000000000000000, 0.0030783600000000 ] - [ 0.0001150600000000, -0.0000780600000000, 0.0004965400000000 ] - [ 0.0001150600000000, 0.0000780600000000, 0.0004965400000000 ] - [ -0.0003800800000000, -0.0004588000000000, -0.0005665400000000 ] - [ -0.0003800800000000, 0.0004588000000000, -0.0005665400000000 ] - [ -0.0002898400000000, 0.0000000000000000, -0.0003122700000000 ] - [ 0.0020425600000000, 0.0000000000000000, -0.0010175100000000 ] - [ 0.0009561600000000, -0.0000837300000000, 0.0001526900000000 ] - [ 0.0009561600000000, 0.0000837300000000, 0.0001526900000000 ] - [ 0.0006545700000000, 0.0007851800000000, 0.0006007600000000 ] - [ 0.0006545700000000, -0.0007851800000000, 0.0006007600000000 ] - [ 0.0000268100000000, 0.0000000000000000, 0.0001407500000000 ] - [ -0.0020537700000000, 0.0000000000000000, -0.0024983500000000 ] - [ -0.0003244400000000, 0.0001301200000000, -0.0008548000000000 ] - [ -0.0003244400000000, -0.0001301200000000, -0.0008548000000000 ] - [ 0.0032195900000000, 0.0026713500000000, -0.0014265800000000 ] - [ 0.0032195900000000, -0.0026713500000000, -0.0014265800000000 ] - [ 0.0004785100000000, 0.0000000000000000, -0.0002456700000000 ] - [ 0.0011601200000000, -0.0014074400000000, -0.0037037200000000 ] - [ 0.0011601200000000, 0.0014074400000000, -0.0037037200000000 ] - [ 0.0000111200000000, 0.0000000000000000, -0.0007963800000000 ] - [ -0.1344761900000000, 0.0000000000000000, 0.0833552600000000 ] - [ -0.0003592300000000, -0.0014166400000000, 0.0012798900000000 ] - [ -0.0003592300000000, 0.0014166400000000, 0.0012798900000000 ] - [ 0.0026465900000000, -0.0016721700000000, -0.0020226400000000 ] - [ 0.0026465900000000, 0.0016721700000000, -0.0020226400000000 ] - [ 0.0006722700000000, 0.0000000000000000, -0.0003831100000000 ] - [ 0.0002482600000000, 0.0000000000000000, -0.0061900600000000 ] - [ -0.0007670700000000, -0.0012010000000000, -0.0019310400000000 ] - [ -0.0007670700000000, 0.0012010000000000, -0.0019310400000000 ]- atom: 25 displacement: [ 0.0050732117389922, 0.0000000000000000, -0.0086175705771030 ] forces: - [ -0.0053176800000000, 0.0000000000000000, -0.0031749000000000 ] - [ -0.0009773800000000, -0.0010082900000000, -0.0008301200000000 ] - [ -0.0009773800000000, 0.0010082900000000, -0.0008301200000000 ] - [ 0.0063046400000000, -0.0113574000000000, 0.0085469600000000 ] - [ 0.0063046400000000, 0.0113574000000000, 0.0085469600000000 ] - [ -0.0004262700000000, 0.0000000000000000, 0.0001119000000000 ] - [ 0.0001906400000000, -0.0000623400000000, 0.0007697200000000 ] - [ 0.0001906400000000, 0.0000623400000000, 0.0007697200000000 ] - [ 0.0002209300000000, 0.0000000000000000, 0.0003559300000000 ] - [ 0.0010645800000000, 0.0000000000000000, 0.0009899500000000 ] - [ 0.0002213300000000, 0.0002974100000000, 0.0007763900000000 ] - [ 0.0002213300000000, -0.0002974100000000, 0.0007763900000000 ] - [ 0.0013736400000000, -0.0005472600000000, -0.0029005600000000 ] - [ 0.0013736400000000, 0.0005472600000000, -0.0029005600000000 ] - [ 0.0005052200000000, 0.0000000000000000, -0.0010151200000000 ] - [ 0.0102394000000000, 0.0000000000000000, 0.0020982600000000 ] - [ 0.0004239800000000, -0.0014689900000000, 0.0007034000000000 ] - [ 0.0004239800000000, 0.0014689900000000, 0.0007034000000000 ] - [ 0.0075954600000000, 0.0000000000000000, -0.0161190300000000 ] - [ 0.0008522700000000, 0.0010795100000000, -0.0015742900000000 ] - [ 0.0008522700000000, -0.0010795100000000, -0.0015742900000000 ] - [ 0.0036556300000000, 0.0113392900000000, -0.0123509300000000 ] - [ 0.0036556300000000, -0.0113392900000000, -0.0123509300000000 ] - [ -0.0002588100000000, 0.0000000000000000, 0.0000740300000000 ] - [ -0.2807564300000000, 0.0000000000000000, 0.1751341600000000 ] - [ -0.0018064800000000, -0.0002534700000000, 0.0008505000000000 ] - [ -0.0018064800000000, 0.0002534700000000, 0.0008505000000000 ] - [ -0.0039123000000000, 0.0000000000000000, 0.0007886700000000 ] - [ -0.0001138400000000, 0.0001111300000000, 0.0007877900000000 ] - [ -0.0001138400000000, -0.0001111300000000, 0.0007877900000000 ] - [ 0.0008175500000000, 0.0000397100000000, -0.0010208300000000 ] - [ 0.0008175500000000, -0.0000397100000000, -0.0010208300000000 ] - [ 0.0001316200000000, 0.0000000000000000, -0.0007426400000000 ] - [ 0.0012441100000000, 0.0003501500000000, -0.0007207600000000 ] - [ 0.0012441100000000, -0.0003501500000000, -0.0007207600000000 ] - [ 0.0004422000000000, 0.0000000000000000, 0.0001698300000000 ] - [ 0.0046690600000000, -0.0011521300000000, -0.0011724600000000 ] - [ 0.0046690600000000, 0.0011521300000000, -0.0011724600000000 ] - [ 0.0007949600000000, 0.0000000000000000, -0.0000765100000000 ] - [ 0.1263058400000000, 0.0000000000000000, -0.0752582000000000 ] - [ 0.0005394500000000, -0.0015443300000000, -0.0002400300000000 ] - [ 0.0005394500000000, 0.0015443300000000, -0.0002400300000000 ] - [ -0.0004645200000000, -0.0001403500000000, 0.0001226100000000 ] - [ -0.0004645200000000, 0.0001403500000000, 0.0001226100000000 ] - [ -0.0000924200000000, 0.0000000000000000, -0.0002218100000000 ] - [ -0.0008434200000000, 0.0000000000000000, -0.0045733600000000 ] - [ 0.0005445500000000, -0.0016361900000000, -0.0016443600000000 ] - [ 0.0005445500000000, 0.0016361900000000, -0.0016443600000000 ] - [ 0.0001714400000000, 0.0000000000000000, -0.0007644700000000 ] - [ 0.0000814800000000, -0.0000348300000000, -0.0004451200000000 ] - [ 0.0000814800000000, 0.0000348300000000, -0.0004451200000000 ] - [ -0.0014971700000000, 0.0001759700000000, 0.0004281800000000 ] - [ -0.0014971700000000, -0.0001759700000000, 0.0004281800000000 ] - [ -0.0002396400000000, 0.0000000000000000, 0.0007099800000000 ] - [ 0.0004647400000000, 0.0000000000000000, -0.0030815400000000 ] - [ 0.0004628400000000, 0.0000782700000000, -0.0004902900000000 ] - [ 0.0004628400000000, -0.0000782700000000, -0.0004902900000000 ] - [ -0.0003262800000000, 0.0004607700000000, -0.0002912200000000 ] - [ -0.0003262800000000, -0.0004607700000000, -0.0002912200000000 ] - [ -0.0004190300000000, 0.0000000000000000, -0.0005468400000000 ] - [ -0.0013335100000000, 0.0000000000000000, 0.0018830800000000 ] - [ -0.0002454600000000, 0.0000820300000000, 0.0007085300000000 ] - [ -0.0002454600000000, -0.0000820300000000, 0.0007085300000000 ] - [ -0.0012336800000000, -0.0007876800000000, -0.0006091100000000 ] - [ -0.0012336800000000, 0.0007876800000000, -0.0006091100000000 ] - [ -0.0006038400000000, 0.0000000000000000, -0.0001486700000000 ] - [ 0.0017412000000000, 0.0000000000000000, 0.0013830600000000 ] - [ -0.0000024000000000, -0.0001322700000000, -0.0002611700000000 ] - [ -0.0000024000000000, 0.0001322700000000, -0.0002611700000000 ] - [ -0.0028002500000000, -0.0026857100000000, 0.0017906600000000 ] - [ -0.0028002500000000, 0.0026857100000000, 0.0017906600000000 ] - [ -0.0000577000000000, 0.0000000000000000, 0.0006083200000000 ] - [ -0.0015803400000000, 0.0014119600000000, 0.0033466700000000 ] - [ -0.0015803400000000, -0.0014119600000000, 0.0033466700000000 ] - [ -0.0004338900000000, 0.0000000000000000, 0.0004362400000000 ] - [ 0.1280860400000000, 0.0000000000000000, -0.0791532300000000 ] - [ 0.0006859900000000, 0.0014136700000000, -0.0001609600000000 ] - [ 0.0006859900000000, -0.0014136700000000, -0.0001609600000000 ] - [ -0.0020750600000000, 0.0016697800000000, 0.0020266500000000 ] - [ -0.0020750600000000, -0.0016697800000000, 0.0020266500000000 ] - [ -0.0000940700000000, 0.0000000000000000, 0.0003888800000000 ] - [ -0.0009655800000000, 0.0000000000000000, 0.0053089400000000 ] - [ 0.0000511800000000, 0.0011972000000000, 0.0010716900000000 ] - [ 0.0000511800000000, -0.0011972000000000, 0.0010716900000000 ]- atom: 37 displacement: [ 0.0099999474480149, 0.0000000000000000, -0.0000324196998736 ] forces: - [ 0.0136139500000000, -0.0018376600000000, -0.0030734900000000 ] - [ 0.0012779200000000, 0.0000000000000000, -0.0004492400000000 ] - [ 0.0136139500000000, 0.0018376600000000, -0.0030734900000000 ] - [ 0.0040223200000000, 0.0000000000000000, 0.0095904200000000 ] - [ 0.0010893300000000, -0.0032009800000000, 0.0027368300000000 ] - [ 0.0010893300000000, 0.0032009800000000, 0.0027368300000000 ] - [ -0.0015411300000000, 0.0000000000000000, -0.0023883500000000 ] - [ -0.0005289900000000, -0.0005120400000000, -0.0012397900000000 ] - [ -0.0005289900000000, 0.0005120400000000, -0.0012397900000000 ] - [ -0.0047945300000000, -0.0009384000000000, -0.0013682500000000 ] - [ -0.0011308800000000, 0.0000000000000000, 0.0001140100000000 ] - [ -0.0047945300000000, 0.0009384000000000, -0.0013682500000000 ] - [ -0.0040788400000000, 0.0000000000000000, -0.0002815400000000 ] - [ -0.0009825400000000, 0.0004607900000000, -0.0005031500000000 ] - [ -0.0009825400000000, -0.0004607900000000, -0.0005031500000000 ] - [ -0.0035091000000000, 0.0016967200000000, -0.0020675000000000 ] - [ -0.0011220700000000, 0.0000000000000000, -0.0008269800000000 ] - [ -0.0035091000000000, -0.0016967200000000, -0.0020675000000000 ] - [ 0.0008251500000000, 0.0013953600000000, 0.0032213200000000 ] - [ 0.0006142500000000, 0.0000000000000000, 0.0009500200000000 ] - [ 0.0008251500000000, -0.0013953600000000, 0.0032213200000000 ] - [ -0.0005421800000000, 0.0000000000000000, 0.0054759000000000 ] - [ 0.0004358200000000, 0.0032419000000000, 0.0012873000000000 ] - [ 0.0004358200000000, -0.0032419000000000, 0.0012873000000000 ] - [ 0.0041082500000000, 0.0011887800000000, -0.0030130300000000 ] - [ 0.0005864100000000, 0.0000000000000000, -0.0006033500000000 ] - [ 0.0041082500000000, -0.0011887800000000, -0.0030130300000000 ] - [ -0.0004073000000000, -0.0000493100000000, 0.0001620600000000 ] - [ -0.0000569000000000, 0.0000000000000000, 0.0004758000000000 ] - [ -0.0004073000000000, 0.0000493100000000, 0.0001620600000000 ] - [ -0.0023555300000000, 0.0000000000000000, 0.0001442300000000 ] - [ -0.0010033400000000, 0.0000662300000000, -0.0003272600000000 ] - [ -0.0010033400000000, -0.0000662300000000, -0.0003272600000000 ] - [ 0.0011070900000000, 0.0000000000000000, 0.0018288400000000 ] - [ 0.0013396700000000, 0.0003504500000000, 0.0007597000000000 ] - [ 0.0013396700000000, -0.0003504500000000, 0.0007597000000000 ] - [ -0.0545488500000000, 0.0000000000000000, 0.0035431300000000 ] - [ -0.0025558200000000, 0.0011216000000000, -0.0010876800000000 ] - [ -0.0025558200000000, -0.0011216000000000, -0.0010876800000000 ] - [ -0.0044930600000000, 0.0021414800000000, -0.0015096800000000 ] - [ -0.0010965400000000, 0.0000000000000000, -0.0006688900000000 ] - [ -0.0044930600000000, -0.0021414800000000, -0.0015096800000000 ] - [ -0.0015771200000000, 0.0000000000000000, 0.0029495700000000 ] - [ -0.0006837900000000, 0.0021598600000000, 0.0015139600000000 ] - [ -0.0006837900000000, -0.0021598600000000, 0.0015139600000000 ] - [ 0.0067214500000000, 0.0109823500000000, -0.0003501900000000 ] - [ 0.0001998700000000, 0.0000000000000000, 0.0006106500000000 ] - [ 0.0067214500000000, -0.0109823500000000, -0.0003501900000000 ] - [ 0.0013835700000000, 0.0006450300000000, 0.0018357200000000 ] - [ 0.0000082400000000, 0.0000000000000000, -0.0000524100000000 ] - [ 0.0013835700000000, -0.0006450300000000, 0.0018357200000000 ] - [ 0.0052490700000000, 0.0000000000000000, 0.0014261300000000 ] - [ 0.0013351100000000, 0.0007053300000000, 0.0001542900000000 ] - [ 0.0013351100000000, -0.0007053300000000, 0.0001542900000000 ] - [ 0.0011540200000000, 0.0000894000000000, 0.0010793400000000 ] - [ 0.0006001900000000, 0.0000000000000000, 0.0004790400000000 ] - [ 0.0011540200000000, -0.0000894000000000, 0.0010793400000000 ] - [ 0.0015731700000000, 0.0000000000000000, 0.0006509800000000 ] - [ 0.0006369500000000, 0.0003684200000000, 0.0002035100000000 ] - [ 0.0006369500000000, -0.0003684200000000, 0.0002035100000000 ] - [ 0.0024329400000000, -0.0004156300000000, 0.0005651200000000 ] - [ 0.0011660000000000, 0.0000000000000000, 0.0006534300000000 ] - [ 0.0024329400000000, 0.0004156300000000, 0.0005651200000000 ] - [ 0.0012941500000000, 0.0000000000000000, 0.0008608400000000 ] - [ 0.0004266900000000, -0.0003550900000000, 0.0005111700000000 ] - [ 0.0004266900000000, 0.0003550900000000, 0.0005111700000000 ] - [ 0.0004531100000000, -0.0005670100000000, -0.0005551800000000 ] - [ 0.0001522400000000, 0.0000000000000000, -0.0007022900000000 ] - [ 0.0004531100000000, 0.0005670100000000, -0.0005551800000000 ] - [ 0.0082356600000000, 0.0000000000000000, 0.0038134600000000 ] - [ 0.0010958600000000, -0.0009581800000000, -0.0000822100000000 ] - [ 0.0010958600000000, 0.0009581800000000, -0.0000822100000000 ] - [ 0.0058933300000000, 0.0000000000000000, -0.0094436100000000 ] - [ 0.0002360100000000, -0.0006488200000000, -0.0005559000000000 ] - [ 0.0002360100000000, 0.0006488200000000, -0.0005559000000000 ] - [ 0.0031744700000000, -0.0050939900000000, 0.0032352600000000 ] - [ -0.0003007600000000, 0.0000000000000000, 0.0010050700000000 ] - [ 0.0031744700000000, 0.0050939900000000, 0.0032352600000000 ] - [ 0.0011207000000000, 0.0000000000000000, -0.0073638000000000 ] - [ 0.0000016900000000, -0.0002926300000000, -0.0010359600000000 ] - [ 0.0000016900000000, 0.0002926300000000, -0.0010359600000000 ] - [ -0.0032239700000000, -0.0060664500000000, -0.0058325700000000 ] - [ -0.0013130100000000, 0.0000000000000000, -0.0011185100000000 ] - [ -0.0032239700000000, 0.0060664500000000, -0.0058325700000000 ]- atom: 37 displacement: [ -0.0099999474480149, 0.0000000000000000, 0.0000324196998736 ] forces: - [ -0.0131132300000000, 0.0019644600000000, 0.0022237600000000 ] - [ -0.0008246500000000, 0.0000000000000000, -0.0004714000000000 ] - [ -0.0131132300000000, -0.0019644600000000, 0.0022237600000000 ] - [ -0.0043252300000000, 0.0000000000000000, -0.0100359000000000 ] - [ -0.0018729800000000, 0.0031916100000000, -0.0028140200000000 ] - [ -0.0018729800000000, -0.0031916100000000, -0.0028140200000000 ] - [ 0.0023565800000000, 0.0000000000000000, 0.0024764500000000 ] - [ 0.0013393600000000, 0.0005178100000000, 0.0013294600000000 ] - [ 0.0013393600000000, -0.0005178100000000, 0.0013294600000000 ] - [ 0.0043424600000000, 0.0009316900000000, 0.0022720900000000 ] - [ 0.0006857900000000, 0.0000000000000000, 0.0008048000000000 ] - [ 0.0043424600000000, -0.0009316900000000, 0.0022720900000000 ] - [ 0.0045667100000000, 0.0000000000000000, -0.0006484700000000 ] - [ 0.0014366200000000, -0.0004658000000000, -0.0004232500000000 ] - [ 0.0014366200000000, 0.0004658000000000, -0.0004232500000000 ] - [ 0.0027101000000000, -0.0017177100000000, 0.0020033800000000 ] - [ 0.0003170300000000, 0.0000000000000000, 0.0007493200000000 ] - [ 0.0027101000000000, 0.0017177100000000, 0.0020033800000000 ] - [ -0.0000180700000000, -0.0014284500000000, -0.0031697700000000 ] - [ 0.0001873700000000, 0.0000000000000000, -0.0008746200000000 ] - [ -0.0000180700000000, 0.0014284500000000, -0.0031697700000000 ] - [ -0.0008473900000000, 0.0000000000000000, -0.0043612300000000 ] - [ -0.0009025800000000, -0.0032577400000000, -0.0003601600000000 ] - [ -0.0009025800000000, 0.0032577400000000, -0.0003601600000000 ] - [ -0.0045933500000000, -0.0011609600000000, 0.0018561900000000 ] - [ -0.0010302900000000, 0.0000000000000000, -0.0005309200000000 ] - [ -0.0045933500000000, 0.0011609600000000, 0.0018561900000000 ] - [ 0.0008499300000000, 0.0000491100000000, 0.0009647600000000 ] - [ 0.0004974700000000, 0.0000000000000000, 0.0006544300000000 ] - [ 0.0008499300000000, -0.0000491100000000, 0.0009647600000000 ] - [ 0.0019119800000000, 0.0000000000000000, -0.0012722000000000 ] - [ 0.0005627400000000, -0.0000666000000000, -0.0008030900000000 ] - [ 0.0005627400000000, 0.0000666000000000, -0.0008030900000000 ] - [ -0.0007019100000000, 0.0000000000000000, -0.0006848400000000 ] - [ -0.0009125500000000, -0.0003561900000000, 0.0003726100000000 ] - [ -0.0009125500000000, 0.0003561900000000, 0.0003726100000000 ] - [ 0.0557853300000000, 0.0000000000000000, -0.0025749400000000 ] - [ 0.0032718400000000, -0.0011450700000000, 0.0019512200000000 ] - [ 0.0032718400000000, 0.0011450700000000, 0.0019512200000000 ] - [ 0.0038748100000000, -0.0021453800000000, 0.0015347300000000 ] - [ 0.0005071300000000, 0.0000000000000000, 0.0006718900000000 ] - [ 0.0038748100000000, 0.0021453800000000, 0.0015347300000000 ] - [ 0.0012285400000000, 0.0000000000000000, -0.0041128400000000 ] - [ 0.0003608800000000, -0.0021852600000000, -0.0026549400000000 ] - [ 0.0003608800000000, 0.0021852600000000, -0.0026549400000000 ] - [ -0.0062678500000000, -0.0108485200000000, 0.0007236800000000 ] - [ 0.0002131900000000, 0.0000000000000000, -0.0002445100000000 ] - [ -0.0062678500000000, 0.0108485200000000, 0.0007236800000000 ] - [ -0.0018418000000000, -0.0006379500000000, -0.0021998900000000 ] - [ -0.0004344800000000, 0.0000000000000000, -0.0003071200000000 ] - [ -0.0018418000000000, 0.0006379500000000, -0.0021998900000000 ] - [ -0.0049049900000000, 0.0000000000000000, -0.0003086600000000 ] - [ -0.0010041200000000, -0.0007029200000000, 0.0009588200000000 ] - [ -0.0010041200000000, 0.0007029200000000, 0.0009588200000000 ] - [ -0.0005703400000000, -0.0000894800000000, -0.0010878900000000 ] - [ -0.0000170900000000, 0.0000000000000000, -0.0004819600000000 ] - [ -0.0005703400000000, 0.0000894800000000, -0.0010878900000000 ] - [ -0.0022930200000000, 0.0000000000000000, -0.0014934100000000 ] - [ -0.0013505900000000, -0.0003678100000000, -0.0010509400000000 ] - [ -0.0013505900000000, 0.0003678100000000, -0.0010509400000000 ] - [ -0.0017302000000000, 0.0004240800000000, 0.0002863700000000 ] - [ -0.0004585800000000, 0.0000000000000000, 0.0001975900000000 ] - [ -0.0017302000000000, -0.0004240800000000, 0.0002863700000000 ] - [ -0.0018776800000000, 0.0000000000000000, -0.0008736000000000 ] - [ -0.0010114500000000, 0.0003577200000000, -0.0005167400000000 ] - [ -0.0010114500000000, -0.0003577200000000, -0.0005167400000000 ] - [ -0.0007936600000000, 0.0005739700000000, -0.0005504300000000 ] - [ -0.0004853200000000, 0.0000000000000000, -0.0004078300000000 ] - [ -0.0007936600000000, -0.0005739700000000, -0.0005504300000000 ] - [ -0.0079013700000000, 0.0000000000000000, -0.0035033600000000 ] - [ -0.0006766000000000, 0.0009649800000000, 0.0004454700000000 ] - [ -0.0006766000000000, -0.0009649800000000, 0.0004454700000000 ] - [ -0.0063990500000000, 0.0000000000000000, 0.0092061900000000 ] - [ -0.0006553400000000, 0.0006549200000000, 0.0001935500000000 ] - [ -0.0006553400000000, -0.0006549200000000, 0.0001935500000000 ] - [ -0.0028372200000000, 0.0051611500000000, -0.0021766000000000 ] - [ 0.0006392900000000, 0.0000000000000000, 0.0001040600000000 ] - [ -0.0028372200000000, -0.0051611500000000, -0.0021766000000000 ] - [ -0.0005152100000000, 0.0000000000000000, 0.0073196300000000 ] - [ 0.0005849800000000, 0.0002959500000000, 0.0010383000000000 ] - [ 0.0005849800000000, -0.0002959500000000, 0.0010383000000000 ] - [ 0.0025725000000000, 0.0061316700000000, 0.0050208800000000 ] - [ 0.0006113100000000, 0.0000000000000000, 0.0002683500000000 ] - [ 0.0025725000000000, -0.0061316700000000, 0.0050208800000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013464400000000, 0.0096321100000000, -0.0015486700000000 ] - [ 0.0002278800000000, -0.0063601100000000, -0.0004670000000000 ] - [ 0.0020380700000000, 0.0089277100000000, 0.0011496100000000 ] - [ -0.0003531900000000, 0.0172823900000000, -0.0000706400000000 ] - [ -0.0017569900000000, -0.0051023100000000, 0.0016138900000000 ] - [ 0.0009576300000000, -0.0051118500000000, -0.0016814200000000 ] - [ 0.0004008000000000, 0.0050867700000000, 0.0000353100000000 ] - [ -0.0010055600000000, -0.0025326300000000, -0.0008785100000000 ] - [ 0.0017908300000000, -0.0025287900000000, 0.0009536000000000 ] - [ -0.0037759200000000, 0.0010755600000000, 0.0003794600000000 ] - [ -0.0002323400000000, -0.0020096100000000, 0.0004667100000000 ] - [ 0.0033088500000000, 0.0010639600000000, 0.0005634000000000 ] - [ 0.0002188900000000, 0.0017809000000000, -0.0004624600000000 ] - [ 0.0004676100000000, -0.0008836300000000, -0.0003229000000000 ] - [ -0.0000136300000000, -0.0008884800000000, -0.0006065700000000 ] - [ 0.0014035500000000, 0.0010627200000000, -0.0001114600000000 ] - [ -0.0003978400000000, -0.0019431900000000, -0.0000445100000000 ] - [ -0.0022054800000000, 0.0010446900000000, 0.0000149100000000 ] - [ 0.0010435400000000, 0.0013881700000000, 0.0007200800000000 ] - [ 0.0003997700000000, -0.0026701900000000, 0.0000433600000000 ] - [ -0.0002461600000000, 0.0013628000000000, -0.0006394800000000 ] - [ -0.0002726700000000, 0.0122244400000000, 0.0004877000000000 ] - [ 0.0022134800000000, -0.0038754100000000, -0.0000782300000000 ] - [ -0.0026504900000000, -0.0038842500000000, 0.0010115100000000 ] - [ 0.0007226300000000, 0.0000264100000000, 0.0012877100000000 ] - [ -0.0002179200000000, -0.0013223600000000, -0.0005619500000000 ] - [ -0.0011796500000000, -0.0000211000000000, -0.0024499300000000 ] - [ 0.0003281100000000, 0.0001798900000000, 0.0011654100000000 ] - [ 0.0002191400000000, -0.0002730900000000, 0.0005664000000000 ] - [ 0.0001092400000000, 0.0001792800000000, -0.0000304500000000 ] - [ -0.0002173000000000, 0.0000846200000000, -0.0005671600000000 ] - [ -0.0004939900000000, -0.0000142000000000, -0.0006308600000000 ] - [ 0.0000520300000000, -0.0000153200000000, -0.0005007500000000 ] - [ 0.0002258200000000, 0.0009333500000000, 0.0005640300000000 ] - [ 0.0014757800000000, -0.0001885200000000, -0.0000936300000000 ] - [ -0.0010208200000000, -0.0001913300000000, 0.0012193000000000 ] - [ 0.0000274900000000, -0.0569180100000000, -0.0000624000000000 ] - [ -0.0007905500000000, 0.0064898700000000, -0.0017315900000000 ] - [ 0.0014902000000000, 0.0064452200000000, 0.0025601100000000 ] - [ 0.0022681800000000, -0.0002129500000000, -0.0022543100000000 ] - [ -0.0002904600000000, 0.0017536300000000, -0.0000031700000000 ] - [ -0.0028362400000000, -0.0001875900000000, 0.0022514600000000 ] - [ -0.0001797500000000, -0.0071064100000000, -0.0005710600000000 ] - [ -0.0001133200000000, 0.0061032100000000, 0.0039192200000000 ] - [ -0.0002214900000000, 0.0060630100000000, -0.0049969100000000 ] - [ 0.0105077000000000, 0.0029190300000000, -0.0052471100000000 ] - [ 0.0002135900000000, 0.0030535400000000, 0.0001782400000000 ] - [ -0.0099850700000000, 0.0029469500000000, 0.0055472800000000 ] - [ 0.0059299400000000, -0.0014822200000000, 0.0032024400000000 ] - [ -0.0002060900000000, 0.0020759800000000, -0.0001817300000000 ] - [ -0.0062963800000000, -0.0014681600000000, -0.0035516500000000 ] - [ 0.0001472800000000, -0.0016107900000000, 0.0005462100000000 ] - [ 0.0011143900000000, 0.0008996700000000, 0.0006729200000000 ] - [ -0.0007813300000000, 0.0009003800000000, 0.0004378500000000 ] - [ -0.0002343200000000, -0.0004891500000000, 0.0000938300000000 ] - [ 0.0002926900000000, 0.0009260400000000, 0.0000028500000000 ] - [ 0.0008200800000000, -0.0004870600000000, -0.0000836000000000 ] - [ -0.0003509100000000, -0.0025021100000000, -0.0004275200000000 ] - [ 0.0000153700000000, 0.0012006400000000, -0.0005791800000000 ] - [ -0.0007197400000000, 0.0012018000000000, -0.0002749600000000 ] - [ 0.0007782400000000, -0.0005388000000000, 0.0004917000000000 ] - [ 0.0003566800000000, 0.0010880400000000, 0.0004271700000000 ] - [ -0.0000621100000000, -0.0005310100000000, 0.0003600800000000 ] - [ -0.0002934200000000, -0.0007390200000000, 0.0000026800000000 ] - [ -0.0000414700000000, 0.0003586900000000, 0.0003206200000000 ] - [ -0.0005389000000000, 0.0003616000000000, -0.0003180500000000 ] - [ -0.0001897600000000, -0.0002988800000000, -0.0014497700000000 ] - [ -0.0001644100000000, 0.0006043900000000, -0.0005567700000000 ] - [ -0.0001346400000000, -0.0002943900000000, 0.0003368900000000 ] - [ 0.0002362000000000, -0.0015615600000000, 0.0001949000000000 ] - [ -0.0005669200000000, 0.0009755100000000, -0.0000277100000000 ] - [ 0.0009873600000000, 0.0009819400000000, 0.0003889600000000 ] - [ -0.0001925700000000, -0.0022121500000000, -0.0002041800000000 ] - [ -0.0009152000000000, 0.0012202300000000, 0.0002029000000000 ] - [ 0.0004935400000000, 0.0012271200000000, -0.0005626200000000 ] - [ -0.0041751300000000, 0.0001541200000000, 0.0013330200000000 ] - [ 0.0001615700000000, 0.0014480300000000, 0.0005570300000000 ] - [ 0.0044937800000000, 0.0001792300000000, -0.0002105200000000 ] - [ 0.0002813500000000, -0.0011220600000000, 0.0000303600000000 ] - [ -0.0001525500000000, 0.0006311800000000, -0.0002969300000000 ] - [ 0.0007278800000000, 0.0006363600000000, 0.0003001600000000 ] - [ -0.0064723600000000, 0.0004623900000000, 0.0028541200000000 ] - [ -0.0003600700000000, 0.0024395300000000, -0.0004265400000000 ] - [ 0.0057044000000000, 0.0004956200000000, -0.0036905500000000 ]- atom: 37 displacement: [ -0.0050732117389922, 0.0000000000000000, 0.0086175705771030 ] forces: - [ -0.0089795800000000, -0.0006776900000000, 0.0115178400000000 ] - [ -0.0004442500000000, 0.0000000000000000, 0.0007252100000000 ] - [ -0.0089795800000000, 0.0006776900000000, 0.0115178400000000 ] - [ 0.0030188400000000, 0.0000000000000000, 0.0014807600000000 ] - [ -0.0000500400000000, 0.0037349500000000, -0.0003122500000000 ] - [ -0.0000500400000000, -0.0037349500000000, -0.0003122500000000 ] - [ -0.0018977000000000, 0.0000000000000000, -0.0004987600000000 ] - [ -0.0006054000000000, -0.0003194500000000, -0.0002477600000000 ] - [ -0.0006054000000000, 0.0003194500000000, -0.0002477600000000 ] - [ 0.0014163000000000, 0.0007990500000000, 0.0028232500000000 ] - [ -0.0000576000000000, 0.0000000000000000, 0.0009259500000000 ] - [ 0.0014163000000000, -0.0007990500000000, 0.0028232500000000 ] - [ 0.0027007700000000, 0.0000000000000000, -0.0011273000000000 ] - [ 0.0007488700000000, 0.0000166200000000, -0.0006165900000000 ] - [ 0.0007488700000000, -0.0000166200000000, -0.0006165900000000 ] - [ -0.0005017300000000, -0.0012368100000000, 0.0007664700000000 ] - [ -0.0003865200000000, 0.0000000000000000, 0.0000343600000000 ] - [ -0.0005017300000000, 0.0012368100000000, 0.0007664700000000 ] - [ 0.0025906900000000, -0.0005763900000000, -0.0051167500000000 ] - [ 0.0010273700000000, 0.0000000000000000, -0.0007961900000000 ] - [ 0.0025906900000000, 0.0005763900000000, -0.0051167500000000 ] - [ 0.0034661700000000, 0.0000000000000000, 0.0074683500000000 ] - [ 0.0006619300000000, -0.0017586500000000, 0.0025165700000000 ] - [ 0.0006619300000000, 0.0017586500000000, 0.0025165700000000 ] - [ -0.0042714700000000, 0.0013939200000000, 0.0011783200000000 ] - [ -0.0005438100000000, 0.0000000000000000, 0.0000075400000000 ] - [ -0.0042714700000000, -0.0013939200000000, 0.0011783200000000 ] - [ -0.0000930500000000, 0.0000032100000000, 0.0002565900000000 ] - [ 0.0001458900000000, 0.0000000000000000, 0.0005999300000000 ] - [ -0.0000930500000000, -0.0000032100000000, 0.0002565900000000 ] - [ 0.0017832300000000, 0.0000000000000000, -0.0018204000000000 ] - [ 0.0002529800000000, -0.0000224400000000, -0.0009167900000000 ] - [ 0.0002529800000000, 0.0000224400000000, -0.0009167900000000 ] - [ 0.0041196600000000, 0.0000000000000000, -0.0032373100000000 ] - [ 0.0008827100000000, -0.0003120000000000, -0.0002979100000000 ] - [ 0.0008827100000000, 0.0003120000000000, -0.0002979100000000 ] - [ 0.0306607400000000, 0.0000000000000000, -0.0398362100000000 ] - [ 0.0005145500000000, 0.0012602700000000, -0.0024749000000000 ] - [ 0.0005145500000000, -0.0012602700000000, -0.0024749000000000 ] - [ -0.0006149900000000, -0.0042485500000000, 0.0044301800000000 ] - [ -0.0000189100000000, 0.0000000000000000, 0.0003061600000000 ] - [ -0.0006149900000000, 0.0042485500000000, 0.0044301800000000 ] - [ 0.0026560500000000, 0.0000000000000000, 0.0072278200000000 ] - [ -0.0000492400000000, 0.0019661600000000, 0.0011209000000000 ] - [ -0.0000492400000000, -0.0019661600000000, 0.0011209000000000 ] - [ -0.0027922400000000, -0.0094033700000000, -0.0063222800000000 ] - [ 0.0004432600000000, 0.0000000000000000, -0.0008383200000000 ] - [ -0.0027922400000000, 0.0094033700000000, -0.0063222800000000 ] - [ 0.0028310900000000, 0.0001026400000000, -0.0006436000000000 ] - [ 0.0002759400000000, 0.0000000000000000, -0.0006322800000000 ] - [ 0.0028310900000000, -0.0001026400000000, -0.0006436000000000 ] - [ -0.0064423000000000, 0.0000000000000000, -0.0015058000000000 ] - [ -0.0007360800000000, -0.0004370200000000, 0.0008138900000000 ] - [ -0.0007360800000000, 0.0004370200000000, 0.0008138900000000 ] - [ 0.0009259900000000, 0.0001132900000000, 0.0000130000000000 ] - [ 0.0004949600000000, 0.0000000000000000, 0.0000213100000000 ] - [ 0.0009259900000000, -0.0001132900000000, 0.0000130000000000 ] - [ -0.0004152300000000, 0.0000000000000000, -0.0011674000000000 ] - [ -0.0003199300000000, -0.0003166200000000, -0.0007870600000000 ] - [ -0.0003199300000000, 0.0003166200000000, -0.0007870600000000 ] - [ -0.0005809400000000, 0.0001598500000000, 0.0003930600000000 ] - [ 0.0001380500000000, 0.0000000000000000, 0.0004388700000000 ] - [ -0.0005809400000000, -0.0001598500000000, 0.0003930600000000 ] - [ -0.0010765500000000, 0.0000000000000000, 0.0005425300000000 ] - [ -0.0004895600000000, 0.0000910900000000, 0.0002046400000000 ] - [ -0.0004895600000000, -0.0000910900000000, 0.0002046400000000 ] - [ -0.0006884800000000, 0.0003104600000000, 0.0001061800000000 ] - [ -0.0003429800000000, 0.0000000000000000, -0.0004502300000000 ] - [ -0.0006884800000000, -0.0003104600000000, 0.0001061800000000 ] - [ -0.0057244400000000, 0.0000000000000000, -0.0030374100000000 ] - [ -0.0000411900000000, 0.0000692900000000, 0.0001021400000000 ] - [ -0.0000411900000000, -0.0000692900000000, 0.0001021400000000 ] - [ -0.0043019500000000, 0.0000000000000000, 0.0056395800000000 ] - [ -0.0009343500000000, 0.0002727100000000, 0.0002138400000000 ] - [ -0.0009343500000000, -0.0002727100000000, 0.0002138400000000 ] - [ 0.0022841800000000, 0.0022172000000000, -0.0035768200000000 ] - [ 0.0003196700000000, 0.0000000000000000, -0.0001181700000000 ] - [ 0.0022841800000000, -0.0022172000000000, -0.0035768200000000 ] - [ -0.0032286100000000, 0.0000000000000000, 0.0093715900000000 ] - [ -0.0007678400000000, -0.0001607200000000, 0.0012749900000000 ] - [ -0.0007678400000000, 0.0001607200000000, 0.0012749900000000 ] - [ -0.0035478400000000, 0.0059428700000000, 0.0039159100000000 ] - [ -0.0004604100000000, 0.0000000000000000, -0.0003942400000000 ] - [ -0.0035478400000000, -0.0059428700000000, 0.0039159100000000 ]- atom: 37 displacement: [ 0.0050732117389922, 0.0000000000000000, -0.0086175705771030 ] forces: - [ 0.0095041200000000, 0.0008642100000000, -0.0123586400000000 ] - [ 0.0008973000000000, 0.0000000000000000, -0.0016678100000000 ] - [ 0.0095041200000000, -0.0008642100000000, -0.0123586400000000 ] - [ -0.0031005900000000, 0.0000000000000000, -0.0022857200000000 ] - [ -0.0007293800000000, -0.0037516900000000, 0.0001997300000000 ] - [ -0.0007293800000000, 0.0037516900000000, 0.0001997300000000 ] - [ 0.0026820400000000, 0.0000000000000000, 0.0006138900000000 ] - [ 0.0014009000000000, 0.0003222600000000, 0.0003522600000000 ] - [ 0.0014009000000000, -0.0003222600000000, 0.0003522600000000 ] - [ -0.0018594900000000, -0.0008107900000000, -0.0019023400000000 ] - [ -0.0003871100000000, 0.0000000000000000, 0.0000124900000000 ] - [ -0.0018594900000000, 0.0008107900000000, -0.0019023400000000 ] - [ -0.0022439800000000, 0.0000000000000000, 0.0001822700000000 ] - [ -0.0002990300000000, -0.0000179900000000, -0.0003233500000000 ] - [ -0.0002990300000000, 0.0000179900000000, -0.0003233500000000 ] - [ -0.0003006300000000, 0.0012262600000000, -0.0008641100000000 ] - [ -0.0004019600000000, 0.0000000000000000, -0.0001325400000000 ] - [ -0.0003006300000000, -0.0012262600000000, -0.0008641100000000 ] - [ -0.0017934900000000, 0.0005572600000000, 0.0052266500000000 ] - [ -0.0002421800000000, 0.0000000000000000, 0.0008963400000000 ] - [ -0.0017934900000000, -0.0005572600000000, 0.0052266500000000 ] - [ -0.0044010300000000, 0.0000000000000000, -0.0063607400000000 ] - [ -0.0011189400000000, 0.0017561600000000, -0.0015586800000000 ] - [ -0.0011189400000000, -0.0017561600000000, -0.0015586800000000 ] - [ 0.0038363800000000, -0.0013705600000000, -0.0023667600000000 ] - [ 0.0001026600000000, 0.0000000000000000, -0.0011485900000000 ] - [ 0.0038363800000000, 0.0013705600000000, -0.0023667600000000 ] - [ 0.0005433300000000, -0.0000034400000000, 0.0008754700000000 ] - [ 0.0002959300000000, 0.0000000000000000, 0.0005352500000000 ] - [ 0.0005433300000000, 0.0000034400000000, 0.0008754700000000 ] - [ -0.0022408100000000, 0.0000000000000000, 0.0006916000000000 ] - [ -0.0007004100000000, 0.0000208800000000, -0.0002165500000000 ] - [ -0.0007004100000000, -0.0000208800000000, -0.0002165500000000 ] - [ -0.0037006300000000, 0.0000000000000000, 0.0043717400000000 ] - [ -0.0004589700000000, 0.0003076300000000, 0.0014413400000000 ] - [ -0.0004589700000000, -0.0003076300000000, 0.0014413400000000 ] - [ -0.0303203600000000, 0.0000000000000000, 0.0410537200000000 ] - [ 0.0001973200000000, -0.0012807900000000, 0.0033468700000000 ] - [ 0.0001973200000000, 0.0012807900000000, 0.0033468700000000 ] - [ 0.0000067200000000, 0.0043095300000000, -0.0044714800000000 ] - [ -0.0005651000000000, 0.0000000000000000, -0.0003137800000000 ] - [ 0.0000067200000000, -0.0043095300000000, -0.0044714800000000 ] - [ -0.0029174900000000, 0.0000000000000000, -0.0083205800000000 ] - [ -0.0002724900000000, -0.0019993400000000, -0.0022662700000000 ] - [ -0.0002724900000000, 0.0019993400000000, -0.0022662700000000 ] - [ 0.0031944400000000, 0.0094775500000000, 0.0067839900000000 ] - [ -0.0000276100000000, 0.0000000000000000, 0.0012072800000000 ] - [ 0.0031944400000000, -0.0094775500000000, 0.0067839900000000 ] - [ -0.0032816600000000, -0.0001024200000000, 0.0002768600000000 ] - [ -0.0007038000000000, 0.0000000000000000, 0.0002733400000000 ] - [ -0.0032816600000000, 0.0001024200000000, 0.0002768600000000 ] - [ 0.0068449400000000, 0.0000000000000000, 0.0026617700000000 ] - [ 0.0010629700000000, 0.0004387000000000, 0.0002992900000000 ] - [ 0.0010629700000000, -0.0004387000000000, 0.0002992900000000 ] - [ -0.0003492000000000, -0.0001116100000000, -0.0000007200000000 ] - [ 0.0000820300000000, 0.0000000000000000, -0.0000101100000000 ] - [ -0.0003492000000000, 0.0001116100000000, -0.0000007200000000 ] - [ -0.0002989900000000, 0.0000000000000000, 0.0003169800000000 ] - [ -0.0003921300000000, 0.0003187700000000, -0.0000666000000000 ] - [ -0.0003921300000000, -0.0003187700000000, -0.0000666000000000 ] - [ 0.0012930400000000, -0.0001530900000000, 0.0004663400000000 ] - [ 0.0005713500000000, 0.0000000000000000, 0.0004192300000000 ] - [ 0.0012930400000000, 0.0001530900000000, 0.0004663400000000 ] - [ 0.0005077600000000, 0.0000000000000000, -0.0005606900000000 ] - [ -0.0000867100000000, -0.0000904900000000, -0.0002205600000000 ] - [ -0.0000867100000000, 0.0000904900000000, -0.0002205600000000 ] - [ 0.0003532300000000, -0.0003084700000000, -0.0012176300000000 ] - [ 0.0000168700000000, 0.0000000000000000, -0.0006630500000000 ] - [ 0.0003532300000000, 0.0003084700000000, -0.0012176300000000 ] - [ 0.0061087900000000, 0.0000000000000000, 0.0033743900000000 ] - [ 0.0004660500000000, -0.0000695000000000, 0.0002574500000000 ] - [ 0.0004660500000000, 0.0000695000000000, 0.0002574500000000 ] - [ 0.0038691000000000, 0.0000000000000000, -0.0060017600000000 ] - [ 0.0005118400000000, -0.0002642000000000, -0.0005822000000000 ] - [ 0.0005118400000000, 0.0002642000000000, -0.0005822000000000 ] - [ -0.0019246700000000, -0.0022229900000000, 0.0046806700000000 ] - [ 0.0000089500000000, 0.0000000000000000, 0.0012303000000000 ] - [ -0.0019246700000000, 0.0022229900000000, 0.0046806700000000 ] - [ 0.0038259800000000, 0.0000000000000000, -0.0094488300000000 ] - [ 0.0013528700000000, 0.0001664800000000, -0.0012627000000000 ] - [ 0.0013528700000000, -0.0001664800000000, -0.0012627000000000 ] - [ 0.0028345300000000, -0.0058744600000000, -0.0047581000000000 ] - [ -0.0002431000000000, 0.0000000000000000, -0.0004668500000000 ] - [ 0.0028345300000000, 0.0058744600000000, -0.0047581000000000 ]- atom: 40 displacement: [ 0.0099999474480149, 0.0000000000000000, -0.0000324196998736 ] forces: - [ 0.0033148100000000, 0.0000000000000000, 0.0001712500000000 ] - [ 0.0015132800000000, 0.0005078000000000, -0.0002802900000000 ] - [ 0.0015132800000000, -0.0005078000000000, -0.0002802900000000 ] - [ 0.0065295000000000, 0.0038925900000000, -0.0023059600000000 ] - [ 0.0065295000000000, -0.0038925900000000, -0.0023059600000000 ] - [ 0.0003665300000000, 0.0000000000000000, 0.0007092600000000 ] - [ -0.0011806900000000, -0.0006606300000000, -0.0009825800000000 ] - [ -0.0011806900000000, 0.0006606300000000, -0.0009825800000000 ] - [ 0.0000500400000000, 0.0000000000000000, -0.0003887500000000 ] - [ -0.0032347700000000, 0.0000000000000000, -0.0017939600000000 ] - [ -0.0015254100000000, -0.0000843200000000, -0.0006151100000000 ] - [ -0.0015254100000000, 0.0000843200000000, -0.0006151100000000 ] - [ 0.0001188800000000, -0.0012030000000000, -0.0006370600000000 ] - [ 0.0001188800000000, 0.0012030000000000, -0.0006370600000000 ] - [ 0.0002089900000000, 0.0000000000000000, -0.0003587400000000 ] - [ -0.0072581200000000, 0.0000000000000000, -0.0013193200000000 ] - [ -0.0011148200000000, 0.0009126600000000, -0.0004661500000000 ] - [ -0.0011148200000000, -0.0009126600000000, -0.0004661500000000 ] - [ 0.0099652000000000, 0.0000000000000000, -0.0034353000000000 ] - [ 0.0015590400000000, -0.0011874900000000, 0.0009948700000000 ] - [ 0.0015590400000000, 0.0011874900000000, 0.0009948700000000 ] - [ -0.0002549900000000, -0.0042612400000000, 0.0063954200000000 ] - [ -0.0002549900000000, 0.0042612400000000, 0.0063954200000000 ] - [ -0.0001133600000000, 0.0000000000000000, 0.0012771400000000 ] - [ 0.1348676200000000, 0.0000000000000000, -0.0608691000000000 ] - [ 0.0006359400000000, 0.0002794800000000, -0.0010196000000000 ] - [ 0.0006359400000000, -0.0002794800000000, -0.0010196000000000 ] - [ 0.0002262600000000, 0.0000000000000000, 0.0003702900000000 ] - [ 0.0002389300000000, 0.0001811400000000, 0.0003754600000000 ] - [ 0.0002389300000000, -0.0001811400000000, 0.0003754600000000 ] - [ -0.0015485600000000, 0.0000067000000000, -0.0002597800000000 ] - [ -0.0015485600000000, -0.0000067000000000, -0.0002597800000000 ] - [ -0.0006824500000000, 0.0000000000000000, -0.0004732700000000 ] - [ -0.0017410600000000, -0.0005448100000000, 0.0021605200000000 ] - [ -0.0017410600000000, 0.0005448100000000, 0.0021605200000000 ] - [ -0.0000356000000000, 0.0000000000000000, 0.0008651300000000 ] - [ -0.0038198400000000, 0.0025498200000000, -0.0024099600000000 ] - [ -0.0038198400000000, -0.0025498200000000, -0.0024099600000000 ] - [ -0.0004445900000000, 0.0000000000000000, 0.0002751100000000 ] - [ -0.1592694900000000, 0.0000000000000000, 0.0691880800000000 ] - [ -0.0020669500000000, 0.0007245300000000, -0.0003180600000000 ] - [ -0.0020669500000000, -0.0007245300000000, -0.0003180600000000 ] - [ 0.0010022200000000, 0.0000032500000000, -0.0014849600000000 ] - [ 0.0010022200000000, -0.0000032500000000, -0.0014849600000000 ] - [ -0.0000354400000000, 0.0000000000000000, -0.0008485800000000 ] - [ 0.0022682300000000, 0.0000000000000000, 0.0090659800000000 ] - [ 0.0003938700000000, 0.0043274300000000, 0.0034739100000000 ] - [ 0.0003938700000000, -0.0043274300000000, 0.0034739100000000 ] - [ 0.0004189500000000, 0.0000000000000000, 0.0011586600000000 ] - [ -0.0000889200000000, -0.0000780900000000, 0.0003416800000000 ] - [ -0.0000889200000000, 0.0000780900000000, 0.0003416800000000 ] - [ 0.0024225500000000, -0.0003491400000000, 0.0012110400000000 ] - [ 0.0024225500000000, 0.0003491400000000, 0.0012110400000000 ] - [ 0.0007895500000000, 0.0000000000000000, 0.0005640000000000 ] - [ 0.0021301600000000, 0.0000000000000000, 0.0006895700000000 ] - [ 0.0004185200000000, -0.0001352400000000, 0.0002944200000000 ] - [ 0.0004185200000000, 0.0001352400000000, 0.0002944200000000 ] - [ 0.0005078900000000, 0.0005271500000000, 0.0008156900000000 ] - [ 0.0005078900000000, -0.0005271500000000, 0.0008156900000000 ] - [ -0.0000464500000000, 0.0000000000000000, -0.0000095300000000 ] - [ 0.0019321700000000, 0.0000000000000000, 0.0004446100000000 ] - [ 0.0010702700000000, -0.0002471500000000, 0.0006194800000000 ] - [ 0.0010702700000000, 0.0002471500000000, 0.0006194800000000 ] - [ 0.0008781300000000, 0.0005743100000000, 0.0001244400000000 ] - [ 0.0008781300000000, -0.0005743100000000, 0.0001244400000000 ] - [ 0.0001188400000000, 0.0000000000000000, 0.0000946200000000 ] - [ -0.0027074600000000, 0.0000000000000000, 0.0022598400000000 ] - [ -0.0006283100000000, -0.0002403800000000, -0.0005720900000000 ] - [ -0.0006283100000000, 0.0002403800000000, -0.0005720900000000 ] - [ 0.0016465300000000, 0.0020433700000000, -0.0006689900000000 ] - [ 0.0016465300000000, -0.0020433700000000, -0.0006689900000000 ] - [ 0.0003069400000000, 0.0000000000000000, -0.0001797200000000 ] - [ -0.0010494500000000, -0.0024065400000000, -0.0029688100000000 ] - [ -0.0010494500000000, 0.0024065400000000, -0.0029688100000000 ] - [ -0.0003591600000000, 0.0000000000000000, -0.0008331800000000 ] - [ -0.0001621100000000, 0.0000000000000000, -0.0043766200000000 ] - [ -0.0000574900000000, -0.0006045400000000, 0.0006160300000000 ] - [ -0.0000574900000000, 0.0006045400000000, 0.0006160300000000 ] - [ 0.0050236100000000, -0.0051800300000000, -0.0045752600000000 ] - [ 0.0050236100000000, 0.0051800300000000, -0.0045752600000000 ] - [ 0.0004446600000000, 0.0000000000000000, -0.0002460900000000 ] - [ 0.0004644800000000, 0.0000000000000000, -0.0040477000000000 ] - [ -0.0006448700000000, -0.0004360600000000, -0.0018351300000000 ] - [ -0.0006448700000000, 0.0004360600000000, -0.0018351300000000 ]- atom: 40 displacement: [ -0.0099999474480149, 0.0000000000000000, 0.0000324196998736 ] forces: - [ -0.0028643400000000, 0.0000000000000000, -0.0011183400000000 ] - [ -0.0010619100000000, -0.0005046400000000, -0.0006606100000000 ] - [ -0.0010619100000000, 0.0005046400000000, -0.0006606100000000 ] - [ -0.0072355200000000, -0.0040402800000000, 0.0023244500000000 ] - [ -0.0072355200000000, 0.0040402800000000, 0.0023244500000000 ] - [ -0.0011538100000000, 0.0000000000000000, -0.0008142900000000 ] - [ 0.0019694400000000, 0.0006658200000000, 0.0010915100000000 ] - [ 0.0019694400000000, -0.0006658200000000, 0.0010915100000000 ] - [ 0.0007329000000000, 0.0000000000000000, 0.0004916000000000 ] - [ 0.0027866000000000, 0.0000000000000000, 0.0027433900000000 ] - [ 0.0010790000000000, 0.0000832700000000, 0.0015694700000000 ] - [ 0.0010790000000000, -0.0000832700000000, 0.0015694700000000 ] - [ 0.0003362900000000, 0.0012080600000000, -0.0003202500000000 ] - [ 0.0003362900000000, -0.0012080600000000, -0.0003202500000000 ] - [ 0.0002425600000000, 0.0000000000000000, -0.0005935300000000 ] - [ 0.0065401900000000, 0.0000000000000000, 0.0012375800000000 ] - [ 0.0003340000000000, -0.0009192100000000, 0.0003678800000000 ] - [ 0.0003340000000000, 0.0009192100000000, 0.0003678800000000 ] - [ -0.0092152300000000, 0.0000000000000000, 0.0033756000000000 ] - [ -0.0007686800000000, 0.0011954200000000, -0.0009029400000000 ] - [ -0.0007686800000000, -0.0011954200000000, -0.0009029400000000 ] - [ -0.0002104700000000, 0.0043104100000000, -0.0054998900000000 ] - [ -0.0002104700000000, -0.0043104100000000, -0.0054998900000000 ] - [ -0.0003403700000000, 0.0000000000000000, -0.0003344000000000 ] - [ -0.1414475900000000, 0.0000000000000000, 0.0634918600000000 ] - [ -0.0010877500000000, -0.0002807800000000, -0.0001108400000000 ] - [ -0.0010877500000000, 0.0002807800000000, -0.0001108400000000 ] - [ 0.0002089600000000, 0.0000000000000000, 0.0007768900000000 ] - [ 0.0002015200000000, -0.0001814000000000, 0.0007604000000000 ] - [ 0.0002015200000000, 0.0001814000000000, 0.0007604000000000 ] - [ 0.0011095200000000, -0.0000070000000000, -0.0008783000000000 ] - [ 0.0011095200000000, 0.0000070000000000, -0.0008783000000000 ] - [ 0.0002416600000000, 0.0000000000000000, -0.0006612100000000 ] - [ 0.0021807100000000, 0.0005382000000000, -0.0010257100000000 ] - [ 0.0021807100000000, -0.0005382000000000, -0.0010257100000000 ] - [ 0.0004757500000000, 0.0000000000000000, 0.0002690900000000 ] - [ 0.0045601300000000, -0.0025687500000000, 0.0032740600000000 ] - [ 0.0045601300000000, 0.0025687500000000, 0.0032740600000000 ] - [ 0.0011588300000000, 0.0000000000000000, 0.0005835300000000 ] - [ 0.1648880800000000, 0.0000000000000000, -0.0732725300000000 ] - [ 0.0014842600000000, -0.0007364100000000, 0.0003111900000000 ] - [ 0.0014842600000000, 0.0007364100000000, 0.0003111900000000 ] - [ -0.0013320100000000, -0.0000018500000000, 0.0003684800000000 ] - [ -0.0013320100000000, 0.0000018500000000, 0.0003684800000000 ] - [ -0.0002943300000000, 0.0000000000000000, -0.0002663400000000 ] - [ -0.0018729800000000, 0.0000000000000000, -0.0086642900000000 ] - [ 0.0000336400000000, -0.0043290300000000, -0.0031129300000000 ] - [ 0.0000336400000000, 0.0043290300000000, -0.0031129300000000 ] - [ -0.0008429200000000, 0.0000000000000000, -0.0015259000000000 ] - [ -0.0003356000000000, 0.0000801300000000, -0.0007085800000000 ] - [ -0.0003356000000000, -0.0000801300000000, -0.0007085800000000 ] - [ -0.0021047200000000, 0.0003455300000000, -0.0000974200000000 ] - [ -0.0021047200000000, -0.0003455300000000, -0.0000974200000000 ] - [ -0.0004586100000000, 0.0000000000000000, 0.0005480800000000 ] - [ -0.0015533000000000, 0.0000000000000000, -0.0006942600000000 ] - [ 0.0001650700000000, 0.0001367300000000, -0.0002903600000000 ] - [ 0.0001650700000000, -0.0001367300000000, -0.0002903600000000 ] - [ -0.0012203400000000, -0.0005276400000000, -0.0016748000000000 ] - [ -0.0012203400000000, 0.0005276400000000, -0.0016748000000000 ] - [ -0.0006663900000000, 0.0000000000000000, -0.0008491600000000 ] - [ -0.0012309200000000, 0.0000000000000000, 0.0004218700000000 ] - [ -0.0003622800000000, 0.0002483500000000, 0.0002390300000000 ] - [ -0.0003622800000000, -0.0002483500000000, 0.0002390300000000 ] - [ -0.0014670400000000, -0.0005795100000000, -0.0001320700000000 ] - [ -0.0014670400000000, 0.0005795100000000, -0.0001320700000000 ] - [ -0.0007029700000000, 0.0000000000000000, -0.0001016200000000 ] - [ 0.0023961800000000, 0.0000000000000000, -0.0033835000000000 ] - [ 0.0002967600000000, 0.0002402000000000, -0.0005382700000000 ] - [ 0.0002967600000000, -0.0002402000000000, -0.0005382700000000 ] - [ -0.0012386300000000, -0.0020640400000000, 0.0010416800000000 ] - [ -0.0012386300000000, 0.0020640400000000, 0.0010416800000000 ] - [ 0.0001153100000000, 0.0000000000000000, 0.0005463300000000 ] - [ 0.0006253900000000, 0.0024148400000000, 0.0026279200000000 ] - [ 0.0006253900000000, -0.0024148400000000, 0.0026279200000000 ] - [ -0.0000632600000000, 0.0000000000000000, 0.0004715400000000 ] - [ 0.0002605200000000, 0.0000000000000000, 0.0057419500000000 ] - [ 0.0003914500000000, 0.0006106900000000, 0.0004946100000000 ] - [ 0.0003914500000000, -0.0006106900000000, 0.0004946100000000 ] - [ -0.0044189100000000, 0.0051283900000000, 0.0045451500000000 ] - [ -0.0044189100000000, -0.0051283900000000, 0.0045451500000000 ] - [ 0.0001375400000000, 0.0000000000000000, 0.0002539500000000 ] - [ -0.0011988000000000, 0.0000000000000000, 0.0032371800000000 ] - [ -0.0000629700000000, 0.0004428000000000, 0.0009816000000000 ] - [ -0.0000629700000000, -0.0004428000000000, 0.0009816000000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002389100000000, 0.0035187300000000, -0.0004591800000000 ] - [ 0.0007800000000000, -0.0016122900000000, -0.0017617200000000 ] - [ -0.0003090000000000, -0.0016159700000000, 0.0008320900000000 ] - [ -0.0007178400000000, 0.0068493100000000, 0.0025605800000000 ] - [ 0.0001961600000000, 0.0072810900000000, -0.0023354000000000 ] - [ -0.0004034500000000, -0.0051813900000000, -0.0000384100000000 ] - [ 0.0009603500000000, 0.0005581000000000, 0.0000443400000000 ] - [ -0.0001665200000000, 0.0005678100000000, 0.0000285200000000 ] - [ 0.0004001400000000, -0.0011244600000000, 0.0000371500000000 ] - [ -0.0002353900000000, 0.0017335200000000, 0.0004516300000000 ] - [ -0.0016105900000000, -0.0008627900000000, -0.0005024300000000 ] - [ 0.0011384900000000, -0.0008615700000000, 0.0014140400000000 ] - [ 0.0000994200000000, 0.0003839600000000, -0.0007831000000000 ] - [ 0.0003492400000000, 0.0003971400000000, -0.0001461800000000 ] - [ 0.0002295400000000, -0.0008374500000000, -0.0004608200000000 ] - [ -0.0004197000000000, 0.0006153000000000, -0.0000420000000000 ] - [ -0.0002119500000000, -0.0004057200000000, -0.0001558000000000 ] - [ -0.0005884100000000, -0.0004152000000000, 0.0000755300000000 ] - [ 0.0004005100000000, 0.0083046000000000, 0.0000332800000000 ] - [ 0.0001026100000000, -0.0024972200000000, 0.0024092100000000 ] - [ 0.0006897100000000, -0.0025014100000000, -0.0023065200000000 ] - [ -0.0013915900000000, 0.0008494000000000, 0.0001708600000000 ] - [ 0.0009389500000000, 0.0008853900000000, 0.0007615100000000 ] - [ -0.0002285300000000, -0.0013926900000000, 0.0004578400000000 ] - [ 0.0001387400000000, 0.0117049400000000, -0.0007488500000000 ] - [ 0.0013241000000000, -0.0003956900000000, -0.0014573300000000 ] - [ -0.0017433800000000, -0.0003911800000000, 0.0003131300000000 ] - [ 0.0002177300000000, 0.0002352900000000, 0.0005689600000000 ] - [ 0.0005076000000000, -0.0000987500000000, 0.0006446300000000 ] - [ -0.0000668100000000, -0.0000996400000000, 0.0004872600000000 ] - [ 0.0005781800000000, 0.0000021400000000, -0.0010007600000000 ] - [ -0.0010284000000000, 0.0000016800000000, -0.0001223800000000 ] - [ -0.0002214600000000, -0.0000969500000000, -0.0005647900000000 ] - [ 0.0013513700000000, 0.0005622300000000, -0.0007061000000000 ] - [ -0.0009074400000000, 0.0005606500000000, 0.0018410100000000 ] - [ 0.0002195800000000, -0.0002035300000000, 0.0005664100000000 ] - [ 0.0024666700000000, -0.0001888500000000, -0.0032778800000000 ] - [ -0.0017958800000000, -0.0002112600000000, 0.0041437100000000 ] - [ 0.0003527000000000, 0.0017537300000000, 0.0004302500000000 ] - [ -0.0009169100000000, -0.0343479600000000, -0.0001584000000000 ] - [ -0.0010282300000000, 0.0038776800000000, -0.0002804500000000 ] - [ 0.0004354900000000, 0.0038367000000000, 0.0002722100000000 ] - [ -0.0011441600000000, -0.0004421200000000, -0.0000100600000000 ] - [ 0.0008142400000000, -0.0004436600000000, -0.0011033000000000 ] - [ -0.0001660200000000, 0.0008016300000000, -0.0005563200000000 ] - [ 0.0001901300000000, -0.0091463400000000, 0.0001748800000000 ] - [ 0.0006960800000000, 0.0071026800000000, 0.0039612700000000 ] - [ -0.0002777300000000, 0.0070631300000000, -0.0035662200000000 ] - [ -0.0002101800000000, -0.0007312200000000, -0.0001805800000000 ] - [ 0.0001304900000000, 0.0003153200000000, 0.0005267600000000 ] - [ -0.0005500100000000, 0.0003179800000000, -0.0008841500000000 ] - [ -0.0034996300000000, -0.0005845600000000, -0.0003725200000000 ] - [ 0.0038778000000000, -0.0005896200000000, 0.0014894300000000 ] - [ 0.0001696100000000, 0.0007578100000000, 0.0005567300000000 ] - [ 0.0002980400000000, -0.0003257900000000, 0.0000018700000000 ] - [ 0.0001560700000000, 0.0001694500000000, 0.0000165800000000 ] - [ 0.0004287200000000, 0.0001709800000000, -0.0000144300000000 ] - [ -0.0004414000000000, -0.0004844700000000, -0.0006058400000000 ] - [ -0.0002613300000000, -0.0004919600000000, -0.0002387700000000 ] - [ -0.0003541200000000, 0.0009263300000000, -0.0004251300000000 ] - [ 0.0003605500000000, -0.0007389200000000, 0.0004293000000000 ] - [ 0.0007153000000000, 0.0003584000000000, 0.0005328500000000 ] - [ 0.0000018200000000, 0.0003621900000000, 0.0003233600000000 ] - [ -0.0008639200000000, -0.0000974900000000, 0.0001655200000000 ] - [ 0.0002890300000000, -0.0001016600000000, -0.0001685200000000 ] - [ -0.0002909300000000, 0.0002391800000000, -0.0000001400000000 ] - [ -0.0001542100000000, -0.0012281700000000, -0.0005444500000000 ] - [ -0.0004828700000000, 0.0002984600000000, -0.0010564600000000 ] - [ 0.0001515700000000, 0.0003015300000000, -0.0000612700000000 ] - [ 0.0002039600000000, -0.0004775300000000, 0.0004082700000000 ] - [ 0.0002254300000000, -0.0004905600000000, -0.0000444000000000 ] - [ 0.0002097400000000, 0.0005380400000000, 0.0001810500000000 ] - [ -0.0002799800000000, -0.0009830000000000, 0.0004194500000000 ] - [ -0.0001327300000000, -0.0010171800000000, -0.0007746000000000 ] - [ -0.0002102200000000, 0.0012589300000000, -0.0001822300000000 ] - [ 0.0001379100000000, -0.0054694700000000, 0.0005739000000000 ] - [ -0.0005020300000000, 0.0001597400000000, 0.0009600100000000 ] - [ 0.0008262200000000, 0.0001660900000000, 0.0001593700000000 ] - [ -0.0048336800000000, 0.0011789700000000, 0.0050607600000000 ] - [ 0.0054419600000000, 0.0011673400000000, -0.0051091400000000 ] - [ 0.0002947400000000, 0.0009064300000000, -0.0000038700000000 ] - [ -0.0003741200000000, -0.0011218800000000, -0.0004175400000000 ] - [ -0.0006530100000000, 0.0006297200000000, -0.0007922500000000 ] - [ -0.0000618400000000, 0.0006378200000000, -0.0000648000000000 ]- atom: 40 displacement: [ -0.0050732117389922, 0.0000000000000000, 0.0086175705771030 ] forces: - [ 0.0011980400000000, 0.0000000000000000, -0.0052227300000000 ] - [ 0.0000421600000000, -0.0009529600000000, -0.0021778000000000 ] - [ 0.0000421600000000, 0.0009529600000000, -0.0021778000000000 ] - [ -0.0032712300000000, -0.0017467300000000, 0.0091862400000000 ] - [ -0.0032712300000000, 0.0017467300000000, 0.0091862400000000 ] - [ -0.0008175200000000, 0.0000000000000000, 0.0009142900000000 ] - [ 0.0010730700000000, 0.0004065900000000, 0.0002664900000000 ] - [ 0.0010730700000000, -0.0004065900000000, 0.0002664900000000 ] - [ 0.0003362200000000, 0.0000000000000000, -0.0000430500000000 ] - [ -0.0014979000000000, 0.0000000000000000, 0.0002910200000000 ] - [ -0.0006939100000000, -0.0001232700000000, 0.0004310800000000 ] - [ -0.0006939100000000, 0.0001232700000000, 0.0004310800000000 ] - [ -0.0014620800000000, -0.0005506500000000, -0.0027437600000000 ] - [ -0.0014620800000000, 0.0005506500000000, -0.0027437600000000 ] - [ -0.0001959400000000, 0.0000000000000000, -0.0009692400000000 ] - [ 0.0050332900000000, 0.0000000000000000, 0.0009055200000000 ] - [ 0.0000677700000000, -0.0005527100000000, 0.0000088900000000 ] - [ 0.0000677700000000, 0.0005527100000000, 0.0000088900000000 ] - [ -0.0087636800000000, 0.0000000000000000, 0.0138309600000000 ] - [ 0.0000716100000000, 0.0035367100000000, 0.0002304800000000 ] - [ 0.0000716100000000, -0.0035367100000000, 0.0002304800000000 ] - [ 0.0020040900000000, 0.0024800400000000, -0.0067607900000000 ] - [ 0.0020040900000000, -0.0024800400000000, -0.0067607900000000 ] - [ 0.0003360600000000, 0.0000000000000000, -0.0006835600000000 ] - [ -0.1322220400000000, 0.0000000000000000, 0.0715240400000000 ] - [ -0.0004660000000000, -0.0003203600000000, 0.0000219400000000 ] - [ -0.0004660000000000, 0.0003203600000000, 0.0000219400000000 ] - [ -0.0025059500000000, 0.0000000000000000, 0.0021393800000000 ] - [ -0.0002794500000000, -0.0000479300000000, 0.0008667300000000 ] - [ -0.0002794500000000, 0.0000479300000000, 0.0008667300000000 ] - [ 0.0000415300000000, -0.0000086400000000, -0.0003688900000000 ] - [ 0.0000415300000000, 0.0000086400000000, -0.0003688900000000 ] - [ -0.0001855100000000, 0.0000000000000000, -0.0005892400000000 ] - [ 0.0028413000000000, 0.0004313100000000, -0.0012958600000000 ] - [ 0.0028413000000000, -0.0004313100000000, -0.0012958600000000 ] - [ 0.0007464900000000, 0.0000000000000000, 0.0002641600000000 ] - [ 0.0012048300000000, -0.0032481500000000, 0.0055408100000000 ] - [ 0.0012048300000000, 0.0032481500000000, 0.0055408100000000 ] - [ 0.0001920400000000, 0.0000000000000000, 0.0004683200000000 ] - [ 0.1457578300000000, 0.0000000000000000, -0.1229683900000000 ] - [ 0.0003385400000000, -0.0001460400000000, -0.0014125000000000 ] - [ 0.0003385400000000, 0.0001460400000000, -0.0014125000000000 ] - [ -0.0016382700000000, -0.0001353500000000, 0.0011119700000000 ] - [ -0.0016382700000000, 0.0001353500000000, 0.0011119700000000 ] - [ -0.0004442600000000, 0.0000000000000000, 0.0001704200000000 ] - [ 0.0053742600000000, 0.0000000000000000, 0.0043099300000000 ] - [ 0.0005112100000000, 0.0006834500000000, 0.0003248200000000 ] - [ 0.0005112100000000, -0.0006834500000000, 0.0003248200000000 ] - [ -0.0003959000000000, 0.0000000000000000, 0.0003552700000000 ] - [ -0.0000069400000000, -0.0000584000000000, 0.0000174300000000 ] - [ -0.0000069400000000, 0.0000584000000000, 0.0000174300000000 ] - [ 0.0011151700000000, -0.0000066200000000, 0.0001028000000000 ] - [ 0.0011151700000000, 0.0000066200000000, 0.0001028000000000 ] - [ 0.0003001500000000, 0.0000000000000000, 0.0004135700000000 ] - [ -0.0000571600000000, 0.0000000000000000, -0.0011109600000000 ] - [ 0.0004769800000000, 0.0000830400000000, -0.0001928200000000 ] - [ 0.0004769800000000, -0.0000830400000000, -0.0001928200000000 ] - [ 0.0001341400000000, -0.0003450700000000, -0.0004994000000000 ] - [ 0.0001341400000000, 0.0003450700000000, -0.0004994000000000 ] - [ -0.0001018100000000, 0.0000000000000000, -0.0003777900000000 ] - [ 0.0002940300000000, 0.0000000000000000, 0.0014081600000000 ] - [ 0.0004309100000000, -0.0001464200000000, 0.0007972400000000 ] - [ 0.0004309100000000, 0.0001464200000000, 0.0007972400000000 ] - [ -0.0007804600000000, -0.0004392000000000, -0.0002152400000000 ] - [ -0.0007804600000000, 0.0004392000000000, -0.0002152400000000 ] - [ -0.0004161400000000, 0.0000000000000000, 0.0000063500000000 ] - [ 0.0070643300000000, 0.0000000000000000, 0.0016139500000000 ] - [ 0.0007684200000000, -0.0003704400000000, -0.0006683700000000 ] - [ 0.0007684200000000, 0.0003704400000000, -0.0006683700000000 ] - [ -0.0011116200000000, -0.0017033200000000, 0.0018726800000000 ] - [ -0.0011116200000000, 0.0017033200000000, 0.0018726800000000 ] - [ 0.0000670000000000, 0.0000000000000000, 0.0006483800000000 ] - [ 0.0006829200000000, 0.0071376000000000, 0.0055486000000000 ] - [ 0.0006829200000000, -0.0071376000000000, 0.0055486000000000 ] - [ -0.0001897400000000, 0.0000000000000000, 0.0007533200000000 ] - [ -0.0017758500000000, 0.0000000000000000, 0.0004647400000000 ] - [ -0.0000489800000000, 0.0003547000000000, 0.0008182300000000 ] - [ -0.0000489800000000, -0.0003547000000000, 0.0008182300000000 ] - [ -0.0060051700000000, 0.0069394900000000, 0.0005779900000000 ] - [ -0.0060051700000000, -0.0069394900000000, 0.0005779900000000 ] - [ -0.0000045000000000, 0.0000000000000000, -0.0004457900000000 ] - [ -0.0070247700000000, 0.0000000000000000, 0.0070830600000000 ] - [ -0.0010910600000000, -0.0000273800000000, 0.0010339700000000 ] - [ -0.0010910600000000, 0.0000273800000000, 0.0010339700000000 ]- atom: 40 displacement: [ 0.0050732117389922, 0.0000000000000000, -0.0086175705771030 ] forces: - [ -0.0007798000000000, 0.0000000000000000, 0.0043179900000000 ] - [ 0.0003984600000000, 0.0009509400000000, 0.0012651600000000 ] - [ 0.0003984600000000, -0.0009509400000000, 0.0012651600000000 ] - [ 0.0025674800000000, 0.0016259200000000, -0.0092698800000000 ] - [ 0.0025674800000000, -0.0016259200000000, -0.0092698800000000 ] - [ 0.0000278400000000, 0.0000000000000000, -0.0010182300000000 ] - [ -0.0002789100000000, -0.0004023100000000, -0.0001730100000000 ] - [ -0.0002789100000000, 0.0004023100000000, -0.0001730100000000 ] - [ 0.0004579700000000, 0.0000000000000000, 0.0001334800000000 ] - [ 0.0010722100000000, 0.0000000000000000, 0.0006654700000000 ] - [ 0.0002573300000000, 0.0001240400000000, 0.0005197600000000 ] - [ 0.0002573300000000, -0.0001240400000000, 0.0005197600000000 ] - [ 0.0019540900000000, 0.0005620600000000, 0.0018162900000000 ] - [ 0.0019540900000000, -0.0005620600000000, 0.0018162900000000 ] - [ 0.0006623400000000, 0.0000000000000000, 0.0000313100000000 ] - [ -0.0057795700000000, 0.0000000000000000, -0.0009699400000000 ] - [ -0.0008570000000000, 0.0005432500000000, -0.0000858200000000 ] - [ -0.0008570000000000, -0.0005432500000000, -0.0000858200000000 ] - [ 0.0101230800000000, 0.0000000000000000, -0.0152304800000000 ] - [ 0.0007274000000000, -0.0035679100000000, -0.0001793800000000 ] - [ 0.0007274000000000, 0.0035679100000000, -0.0001793800000000 ] - [ -0.0025030400000000, -0.0024317300000000, 0.0077107900000000 ] - [ -0.0025030400000000, 0.0024317300000000, 0.0077107900000000 ] - [ -0.0008053500000000, 0.0000000000000000, 0.0016300100000000 ] - [ 0.1256000100000000, 0.0000000000000000, -0.0700122900000000 ] - [ 0.0000050400000000, 0.0003229800000000, -0.0011461100000000 ] - [ 0.0000050400000000, -0.0003229800000000, -0.0011461100000000 ] - [ 0.0029470900000000, 0.0000000000000000, -0.0010077900000000 ] - [ 0.0007224200000000, 0.0000480600000000, 0.0002652000000000 ] - [ 0.0007224200000000, -0.0000480600000000, 0.0002652000000000 ] - [ -0.0004719500000000, 0.0000088200000000, -0.0007724000000000 ] - [ -0.0004719500000000, -0.0000088200000000, -0.0007724000000000 ] - [ -0.0002510600000000, 0.0000000000000000, -0.0005448900000000 ] - [ -0.0024181300000000, -0.0004368000000000, 0.0024371400000000 ] - [ -0.0024181300000000, 0.0004368000000000, 0.0024371400000000 ] - [ -0.0003094200000000, 0.0000000000000000, 0.0008688500000000 ] - [ -0.0004520900000000, 0.0032235700000000, -0.0046895800000000 ] - [ -0.0004520900000000, -0.0032235700000000, -0.0046895800000000 ] - [ 0.0005311800000000, 0.0000000000000000, 0.0003823100000000 ] - [ -0.1406735100000000, 0.0000000000000000, 0.1218912700000000 ] - [ -0.0009123400000000, 0.0001198400000000, 0.0014245400000000 ] - [ -0.0009123400000000, -0.0001198400000000, 0.0014245400000000 ] - [ 0.0013196800000000, 0.0001364900000000, -0.0022376700000000 ] - [ 0.0013196800000000, -0.0001364900000000, -0.0022376700000000 ] - [ 0.0001165600000000, 0.0000000000000000, -0.0012881300000000 ] - [ -0.0049215800000000, 0.0000000000000000, -0.0039991900000000 ] - [ -0.0000988900000000, -0.0007515600000000, -0.0000057200000000 ] - [ -0.0000988900000000, 0.0007515600000000, -0.0000057200000000 ] - [ -0.0000270900000000, 0.0000000000000000, -0.0007321700000000 ] - [ -0.0004174700000000, 0.0000621300000000, -0.0003913400000000 ] - [ -0.0004174700000000, -0.0000621300000000, -0.0003913400000000 ] - [ -0.0008236600000000, 0.0000086500000000, 0.0010125500000000 ] - [ -0.0008236600000000, -0.0000086500000000, 0.0010125500000000 ] - [ 0.0000185700000000, 0.0000000000000000, 0.0007015900000000 ] - [ 0.0006279400000000, 0.0000000000000000, 0.0011070600000000 ] - [ 0.0001039900000000, -0.0000814700000000, 0.0001951000000000 ] - [ 0.0001039900000000, 0.0000814700000000, 0.0001951000000000 ] - [ -0.0008563300000000, 0.0003427200000000, -0.0003615300000000 ] - [ -0.0008563300000000, -0.0003427200000000, -0.0003615300000000 ] - [ -0.0006153400000000, 0.0000000000000000, -0.0004821400000000 ] - [ 0.0004003200000000, 0.0000000000000000, -0.0005536200000000 ] - [ 0.0002703900000000, 0.0001515300000000, 0.0000552300000000 ] - [ 0.0002703900000000, -0.0001515300000000, 0.0000552300000000 ] - [ 0.0001899900000000, 0.0004332300000000, 0.0002095700000000 ] - [ 0.0001899900000000, -0.0004332300000000, 0.0002095700000000 ] - [ -0.0001697900000000, 0.0000000000000000, -0.0000118800000000 ] - [ -0.0074671000000000, 0.0000000000000000, -0.0027241400000000 ] - [ -0.0011064700000000, 0.0003750000000000, -0.0004379300000000 ] - [ -0.0011064700000000, -0.0003750000000000, -0.0004379300000000 ] - [ 0.0015215000000000, 0.0016875400000000, -0.0015147500000000 ] - [ 0.0015215000000000, -0.0016875400000000, -0.0015147500000000 ] - [ 0.0003546100000000, 0.0000000000000000, -0.0002845600000000 ] - [ -0.0011290100000000, -0.0072434300000000, -0.0059602700000000 ] - [ -0.0011290100000000, 0.0072434300000000, -0.0059602700000000 ] - [ -0.0002330900000000, 0.0000000000000000, -0.0011207600000000 ] - [ 0.0018215000000000, 0.0000000000000000, 0.0007067400000000 ] - [ 0.0003883400000000, -0.0003469800000000, 0.0002854500000000 ] - [ 0.0003883400000000, 0.0003469800000000, 0.0002854500000000 ] - [ 0.0066430000000000, -0.0070377900000000, -0.0005413100000000 ] - [ 0.0066430000000000, 0.0070377900000000, -0.0005413100000000 ] - [ 0.0005843100000000, 0.0000000000000000, 0.0004627100000000 ] - [ 0.0064126800000000, 0.0000000000000000, -0.0079963800000000 ] - [ 0.0003934300000000, 0.0000403000000000, -0.0018911700000000 ] - [ 0.0003934300000000, -0.0000403000000000, -0.0018911700000000 ]- atom: 43 displacement: [ 0.0099999474480149, 0.0000000000000000, -0.0000324196998736 ] forces: - [ 0.0117236600000000, -0.0031126200000000, 0.0037983600000000 ] - [ 0.0017564100000000, 0.0000000000000000, -0.0002123900000000 ] - [ 0.0117236600000000, 0.0031126200000000, 0.0037983600000000 ] - [ -0.0009130100000000, 0.0000000000000000, 0.0067906700000000 ] - [ 0.0001917900000000, 0.0005094100000000, 0.0011451500000000 ] - [ 0.0001917900000000, -0.0005094100000000, 0.0011451500000000 ] - [ 0.0201798800000000, 0.0000000000000000, 0.0039208700000000 ] - [ 0.0009669700000000, -0.0041965400000000, -0.0014008400000000 ] - [ 0.0009669700000000, 0.0041965400000000, -0.0014008400000000 ] - [ -0.0017576300000000, -0.0011020700000000, 0.0050565200000000 ] - [ -0.0000567700000000, 0.0000000000000000, 0.0014567000000000 ] - [ -0.0017576300000000, 0.0011020700000000, 0.0050565200000000 ] - [ -0.0029829700000000, 0.0000000000000000, -0.0003618900000000 ] - [ -0.0014032400000000, -0.0002777300000000, -0.0005523400000000 ] - [ -0.0014032400000000, 0.0002777300000000, -0.0005523400000000 ] - [ -0.0011772000000000, -0.0006366800000000, -0.0025403900000000 ] - [ -0.0010184500000000, 0.0000000000000000, -0.0010221200000000 ] - [ -0.0011772000000000, 0.0006366800000000, -0.0025403900000000 ] - [ -0.0041820800000000, 0.0038123900000000, -0.0013203600000000 ] - [ -0.0004169300000000, 0.0000000000000000, 0.0002408600000000 ] - [ -0.0041820800000000, -0.0038123900000000, -0.0013203600000000 ] - [ -0.0029908400000000, 0.0000000000000000, -0.0033914700000000 ] - [ -0.0011369000000000, 0.0016968500000000, -0.0011876300000000 ] - [ -0.0011369000000000, -0.0016968500000000, -0.0011876300000000 ] - [ -0.0008015100000000, 0.0000099300000000, -0.0005638400000000 ] - [ -0.0001911200000000, 0.0000000000000000, -0.0006333700000000 ] - [ -0.0008015100000000, -0.0000099300000000, -0.0005638400000000 ] - [ -0.0019853800000000, -0.0003182900000000, 0.0012042800000000 ] - [ -0.0004432200000000, 0.0000000000000000, 0.0006480300000000 ] - [ -0.0019853800000000, 0.0003182900000000, 0.0012042800000000 ] - [ 0.0019888500000000, 0.0000000000000000, -0.0014591700000000 ] - [ 0.0000929200000000, -0.0000095700000000, -0.0005680300000000 ] - [ 0.0000929200000000, 0.0000095700000000, -0.0005680300000000 ] - [ 0.1287821700000000, 0.0000000000000000, -0.0727189900000000 ] - [ 0.0013236800000000, 0.0004429300000000, 0.0006157700000000 ] - [ 0.0013236800000000, -0.0004429300000000, 0.0006157700000000 ] - [ -0.0010378300000000, 0.0000000000000000, 0.0028352500000000 ] - [ -0.0001646900000000, -0.0000671300000000, 0.0002656200000000 ] - [ -0.0001646900000000, 0.0000671300000000, 0.0002656200000000 ] - [ 0.0008716000000000, -0.0009769200000000, -0.0010342200000000 ] - [ -0.0001628200000000, 0.0000000000000000, -0.0002519300000000 ] - [ 0.0008716000000000, 0.0009769200000000, -0.0010342200000000 ] - [ -0.1777612800000000, 0.0000000000000000, 0.0597087200000000 ] - [ -0.0022926300000000, 0.0002074200000000, -0.0004803900000000 ] - [ -0.0022926300000000, -0.0002074200000000, -0.0004803900000000 ] - [ -0.0016789300000000, -0.0006217500000000, -0.0017011600000000 ] - [ -0.0004403900000000, 0.0000000000000000, -0.0003587700000000 ] - [ -0.0016789300000000, 0.0006217500000000, -0.0017011600000000 ] - [ 0.0048854500000000, 0.0136998500000000, -0.0068306900000000 ] - [ -0.0010272400000000, 0.0000000000000000, -0.0011064700000000 ] - [ 0.0048854500000000, -0.0136998500000000, -0.0068306900000000 ] - [ -0.0010888700000000, 0.0000000000000000, -0.0015932000000000 ] - [ -0.0003438400000000, 0.0002859900000000, -0.0001371900000000 ] - [ -0.0003438400000000, -0.0002859900000000, -0.0001371900000000 ] - [ 0.0025696400000000, 0.0037130300000000, 0.0024801800000000 ] - [ 0.0009184000000000, 0.0000000000000000, 0.0005373900000000 ] - [ 0.0025696400000000, -0.0037130300000000, 0.0024801800000000 ] - [ 0.0047285700000000, 0.0000000000000000, -0.0051842200000000 ] - [ 0.0008169900000000, 0.0009522200000000, -0.0007881100000000 ] - [ 0.0008169900000000, -0.0009522200000000, -0.0007881100000000 ] - [ 0.0009789200000000, 0.0000283300000000, 0.0001891500000000 ] - [ 0.0006740600000000, 0.0000000000000000, 0.0004103100000000 ] - [ 0.0009789200000000, -0.0000283300000000, 0.0001891500000000 ] - [ -0.0028479300000000, 0.0000000000000000, 0.0069497900000000 ] - [ -0.0007528800000000, 0.0003168600000000, 0.0008152900000000 ] - [ -0.0007528800000000, -0.0003168600000000, 0.0008152900000000 ] - [ 0.0019742800000000, 0.0000721800000000, -0.0006738100000000 ] - [ 0.0008192600000000, 0.0000000000000000, -0.0006152200000000 ] - [ 0.0019742800000000, -0.0000721800000000, -0.0006738100000000 ] - [ 0.0017861500000000, 0.0000000000000000, 0.0011612900000000 ] - [ 0.0012689100000000, 0.0003046400000000, 0.0008837100000000 ] - [ 0.0012689100000000, -0.0003046400000000, 0.0008837100000000 ] - [ 0.0021178800000000, 0.0000000000000000, 0.0012330800000000 ] - [ 0.0010871900000000, -0.0011473500000000, 0.0003435700000000 ] - [ 0.0010871900000000, 0.0011473500000000, 0.0003435700000000 ] - [ 0.0011556800000000, -0.0001150900000000, 0.0016567900000000 ] - [ 0.0005448300000000, 0.0000000000000000, 0.0014815100000000 ] - [ 0.0011556800000000, 0.0001150900000000, 0.0016567900000000 ] - [ -0.0000212700000000, 0.0000000000000000, -0.0020903600000000 ] - [ 0.0000669000000000, -0.0006632100000000, -0.0003846600000000 ] - [ 0.0000669000000000, 0.0006632100000000, -0.0003846600000000 ] - [ 0.0026659100000000, -0.0043223400000000, 0.0037856500000000 ] - [ -0.0008226800000000, 0.0000000000000000, -0.0005276700000000 ] - [ 0.0026659100000000, 0.0043223400000000, 0.0037856500000000 ]- atom: 43 displacement: [ -0.0099999474480149, 0.0000000000000000, 0.0000324196998736 ] forces: - [ -0.0111716800000000, 0.0031466800000000, -0.0047557000000000 ] - [ -0.0012836800000000, 0.0000000000000000, -0.0007142100000000 ] - [ -0.0111716800000000, -0.0031466800000000, -0.0047557000000000 ] - [ 0.0001590300000000, 0.0000000000000000, -0.0069593800000000 ] - [ -0.0009685400000000, -0.0005126300000000, -0.0012507100000000 ] - [ -0.0009685400000000, 0.0005126300000000, -0.0012507100000000 ] - [ -0.0178731100000000, 0.0000000000000000, -0.0033951700000000 ] - [ -0.0001543800000000, 0.0041698200000000, 0.0014926900000000 ] - [ -0.0001543800000000, -0.0041698200000000, 0.0014926900000000 ] - [ 0.0013088600000000, 0.0010811800000000, -0.0040923700000000 ] - [ -0.0003893400000000, 0.0000000000000000, -0.0005131200000000 ] - [ 0.0013088600000000, -0.0010811800000000, -0.0040923700000000 ] - [ 0.0034183100000000, 0.0000000000000000, -0.0005667800000000 ] - [ 0.0018501200000000, 0.0002705000000000, -0.0003797900000000 ] - [ 0.0018501200000000, -0.0002705000000000, -0.0003797900000000 ] - [ 0.0003836500000000, 0.0006273300000000, 0.0024245500000000 ] - [ 0.0002235500000000, 0.0000000000000000, 0.0009235600000000 ] - [ 0.0003836500000000, -0.0006273300000000, 0.0024245500000000 ] - [ 0.0049662700000000, -0.0038489500000000, 0.0014451900000000 ] - [ 0.0011973500000000, 0.0000000000000000, -0.0001491900000000 ] - [ 0.0049662700000000, 0.0038489500000000, 0.0014451900000000 ] - [ 0.0025054500000000, 0.0000000000000000, 0.0043265600000000 ] - [ 0.0006587300000000, -0.0016947300000000, 0.0021193100000000 ] - [ 0.0006587300000000, 0.0016947300000000, 0.0021193100000000 ] - [ 0.0003573700000000, -0.0000075900000000, -0.0005825600000000 ] - [ -0.0002555400000000, 0.0000000000000000, -0.0005101200000000 ] - [ 0.0003573700000000, 0.0000075900000000, -0.0005825600000000 ] - [ 0.0024079500000000, 0.0003124200000000, -0.0000646200000000 ] - [ 0.0008817500000000, 0.0000000000000000, 0.0004848200000000 ] - [ 0.0024079500000000, -0.0003124200000000, -0.0000646200000000 ] - [ -0.0024341500000000, 0.0000000000000000, 0.0003268400000000 ] - [ -0.0005329200000000, 0.0000087600000000, -0.0005642600000000 ] - [ -0.0005329200000000, -0.0000087600000000, -0.0005642600000000 ] - [ -0.1340183300000000, 0.0000000000000000, 0.0778568400000000 ] - [ -0.0008939100000000, -0.0004400000000000, 0.0005274900000000 ] - [ -0.0008939100000000, 0.0004400000000000, 0.0005274900000000 ] - [ 0.0017759300000000, 0.0000000000000000, -0.0019248500000000 ] - [ 0.0008958800000000, 0.0000124600000000, 0.0006332700000000 ] - [ 0.0008958800000000, -0.0000124600000000, 0.0006332700000000 ] - [ -0.0014596600000000, 0.0009855500000000, 0.0010398000000000 ] - [ -0.0004198500000000, 0.0000000000000000, 0.0002536900000000 ] - [ -0.0014596600000000, -0.0009855500000000, 0.0010398000000000 ] - [ 0.1815394800000000, 0.0000000000000000, -0.0654317200000000 ] - [ 0.0019543800000000, -0.0002318500000000, -0.0006508600000000 ] - [ 0.0019543800000000, 0.0002318500000000, -0.0006508600000000 ] - [ 0.0020592800000000, 0.0006316600000000, 0.0020894000000000 ] - [ 0.0008485300000000, 0.0000000000000000, 0.0007219200000000 ] - [ 0.0020592800000000, -0.0006316600000000, 0.0020894000000000 ] - [ -0.0052931900000000, -0.0135002100000000, 0.0063901100000000 ] - [ 0.0005909100000000, 0.0000000000000000, 0.0007366100000000 ] - [ -0.0052931900000000, 0.0135002100000000, 0.0063901100000000 ] - [ 0.0014075000000000, 0.0000000000000000, 0.0027127000000000 ] - [ 0.0006651200000000, -0.0002829600000000, 0.0012479100000000 ] - [ 0.0006651200000000, 0.0002829600000000, 0.0012479100000000 ] - [ -0.0019718900000000, -0.0036589000000000, -0.0024483400000000 ] - [ -0.0003350700000000, 0.0000000000000000, -0.0005305800000000 ] - [ -0.0019718900000000, 0.0036589000000000, -0.0024483400000000 ] - [ -0.0053908800000000, 0.0000000000000000, 0.0042694300000000 ] - [ -0.0015234300000000, -0.0009427400000000, -0.0000703600000000 ] - [ -0.0015234300000000, 0.0009427400000000, -0.0000703600000000 ] - [ -0.0002656200000000, -0.0000215200000000, 0.0006646000000000 ] - [ 0.0000365100000000, 0.0000000000000000, 0.0004435400000000 ] - [ -0.0002656200000000, 0.0000215200000000, 0.0006646000000000 ] - [ 0.0022294900000000, 0.0000000000000000, -0.0069058200000000 ] - [ 0.0001672000000000, -0.0003148200000000, -0.0008177000000000 ] - [ 0.0001672000000000, 0.0003148200000000, -0.0008177000000000 ] - [ -0.0022923600000000, -0.0000694200000000, -0.0004445500000000 ] - [ -0.0011417200000000, 0.0000000000000000, -0.0004978200000000 ] - [ -0.0022923600000000, 0.0000694200000000, -0.0004445500000000 ] - [ -0.0013514900000000, 0.0000000000000000, -0.0007961500000000 ] - [ -0.0008384400000000, -0.0002998400000000, -0.0005173800000000 ] - [ -0.0008384400000000, 0.0002998400000000, -0.0005173800000000 ] - [ -0.0025253300000000, 0.0000000000000000, -0.0016070800000000 ] - [ -0.0014976800000000, 0.0011525600000000, -0.0007119800000000 ] - [ -0.0014976800000000, -0.0011525600000000, -0.0007119800000000 ] - [ -0.0008177300000000, 0.0001146900000000, -0.0005323400000000 ] - [ -0.0002039900000000, 0.0000000000000000, -0.0003638600000000 ] - [ -0.0008177300000000, -0.0001146900000000, -0.0005323400000000 ] - [ 0.0003818300000000, 0.0000000000000000, 0.0023183000000000 ] - [ 0.0005175900000000, 0.0006685100000000, 0.0003890900000000 ] - [ 0.0005175900000000, -0.0006685100000000, 0.0003890900000000 ] - [ -0.0033570500000000, 0.0043517900000000, -0.0046690600000000 ] - [ 0.0001190100000000, 0.0000000000000000, -0.0003306000000000 ] - [ -0.0033570500000000, -0.0043517900000000, -0.0046690600000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003942200000000, 0.0118457100000000, -0.0023043900000000 ] - [ 0.0002234600000000, -0.0043474400000000, -0.0004730200000000 ] - [ 0.0007221900000000, 0.0112827600000000, 0.0007870500000000 ] - [ -0.0003965400000000, 0.0032877300000000, -0.0000313900000000 ] - [ -0.0006870700000000, -0.0017479400000000, 0.0010575900000000 ] - [ -0.0000957500000000, -0.0017466300000000, -0.0011616400000000 ] - [ 0.0004083200000000, 0.0107804900000000, 0.0000462300000000 ] - [ -0.0015098200000000, -0.0034176800000000, -0.0013943500000000 ] - [ 0.0022696200000000, -0.0034249000000000, 0.0015046500000000 ] - [ -0.0028851800000000, 0.0007077800000000, 0.0016585200000000 ] - [ -0.0002286600000000, -0.0014201200000000, 0.0004731100000000 ] - [ 0.0024232600000000, 0.0006979600000000, -0.0007178800000000 ] - [ 0.0002283500000000, 0.0007011600000000, -0.0004734500000000 ] - [ 0.0001205500000000, -0.0003589400000000, -0.0004830000000000 ] - [ 0.0003297200000000, -0.0003620900000000, -0.0004666700000000 ] - [ -0.0004666700000000, 0.0004871000000000, -0.0003061900000000 ] - [ -0.0003888200000000, -0.0009640800000000, -0.0000570600000000 ] - [ -0.0003074600000000, 0.0004732500000000, 0.0002028500000000 ] - [ 0.0012102900000000, 0.0008730500000000, -0.0007724500000000 ] - [ 0.0003925800000000, -0.0013564900000000, 0.0000607900000000 ] - [ -0.0004418500000000, 0.0008458600000000, 0.0008743100000000 ] - [ -0.0002218200000000, 0.0031848400000000, 0.0004684000000000 ] - [ 0.0013411400000000, -0.0015088600000000, 0.0010462800000000 ] - [ -0.0017780000000000, -0.0015123400000000, -0.0000987700000000 ] - [ -0.0000907300000000, 0.0002408300000000, -0.0003300700000000 ] - [ -0.0002190000000000, -0.0007264600000000, -0.0005670700000000 ] - [ -0.0003514700000000, 0.0002404600000000, -0.0008050000000000 ] - [ -0.0000085500000000, 0.0000900200000000, 0.0006356600000000 ] - [ 0.0002205200000000, -0.0001302600000000, 0.0005707600000000 ] - [ 0.0004612000000000, 0.0000887200000000, 0.0005013200000000 ] - [ -0.0002270600000000, 0.0001703600000000, -0.0005715600000000 ] - [ -0.0002926900000000, -0.0000780800000000, -0.0007643400000000 ] - [ -0.0001540500000000, -0.0000792000000000, -0.0003783600000000 ] - [ 0.0005604100000000, 0.0099199100000000, 0.0003542000000000 ] - [ 0.0016678600000000, -0.0003965300000000, -0.0002259000000000 ] - [ -0.0012107200000000, -0.0003929600000000, 0.0013609700000000 ] - [ 0.0003508600000000, -0.0071072200000000, 0.0004358400000000 ] - [ -0.0018347300000000, 0.0061011500000000, -0.0031694600000000 ] - [ 0.0025334600000000, 0.0060651900000000, 0.0040037000000000 ] - [ -0.0002901500000000, -0.0004461900000000, -0.0001522600000000 ] - [ -0.0002931000000000, 0.0008015400000000, 0.0000055200000000 ] - [ -0.0002957300000000, -0.0004403900000000, 0.0001620300000000 ] - [ -0.0004321600000000, -0.0487059700000000, 0.0002425600000000 ] - [ -0.0003841700000000, 0.0036854000000000, 0.0005750100000000 ] - [ 0.0000484800000000, 0.0036508700000000, -0.0016742000000000 ] - [ 0.0034832600000000, -0.0010228700000000, -0.0045137500000000 ] - [ 0.0002114800000000, 0.0014885100000000, 0.0001775900000000 ] - [ -0.0030191800000000, -0.0010109900000000, 0.0048326900000000 ] - [ 0.0103015100000000, 0.0036500900000000, -0.0019334800000000 ] - [ -0.0002032700000000, 0.0018399200000000, -0.0001781800000000 ] - [ -0.0106208700000000, 0.0036755600000000, 0.0015865100000000 ] - [ 0.0001758800000000, -0.0012313400000000, 0.0005534500000000 ] - [ 0.0004564900000000, 0.0005774700000000, 0.0006020500000000 ] - [ -0.0001113300000000, 0.0005782700000000, 0.0005146100000000 ] - [ 0.0006387700000000, -0.0005953400000000, 0.0002024900000000 ] - [ 0.0002981300000000, 0.0007576900000000, -0.0000098800000000 ] - [ -0.0000577500000000, -0.0005785700000000, -0.0002248100000000 ] - [ -0.0003681400000000, -0.0016103600000000, -0.0004164500000000 ] - [ 0.0003447500000000, 0.0008985500000000, -0.0005220300000000 ] - [ -0.0010624100000000, 0.0009019100000000, -0.0003338800000000 ] - [ 0.0009301900000000, -0.0003008600000000, 0.0004032100000000 ] - [ 0.0003599400000000, 0.0006041600000000, 0.0004291900000000 ] - [ -0.0002117300000000, -0.0002927400000000, 0.0004494000000000 ] - [ -0.0002963700000000, -0.0012285900000000, -0.0000093100000000 ] - [ -0.0000494200000000, 0.0002976700000000, 0.0005840400000000 ] - [ -0.0005348000000000, 0.0003011800000000, -0.0005653500000000 ] - [ -0.0002419900000000, -0.0001447400000000, -0.0007170700000000 ] - [ -0.0001744700000000, 0.0002645000000000, -0.0005560300000000 ] - [ -0.0001003600000000, -0.0001423400000000, -0.0003971100000000 ] - [ 0.0002055500000000, -0.0004927800000000, 0.0001773100000000 ] - [ -0.0000203100000000, 0.0002375300000000, -0.0000523100000000 ] - [ 0.0004350400000000, 0.0002411000000000, 0.0004069400000000 ] - [ -0.0002074900000000, -0.0010190700000000, -0.0001762400000000 ] - [ -0.0006380500000000, 0.0004963300000000, 0.0001312400000000 ] - [ 0.0002193400000000, 0.0005026200000000, -0.0004878700000000 ] - [ 0.0000502300000000, -0.0003161500000000, 0.0004204000000000 ] - [ 0.0001646400000000, 0.0007982900000000, 0.0005588700000000 ] - [ 0.0002853700000000, -0.0003146400000000, 0.0006920500000000 ] - [ 0.0002624900000000, -0.0054696500000000, 0.0000076400000000 ] - [ -0.0003136500000000, 0.0001605800000000, 0.0000396800000000 ] - [ 0.0008994700000000, 0.0001655600000000, -0.0000586000000000 ] - [ -0.0055060200000000, 0.0001558200000000, -0.0008613800000000 ] - [ -0.0003632900000000, 0.0014484700000000, -0.0004295400000000 ] - [ 0.0047522800000000, 0.0001778300000000, 0.0000250700000000 ]- atom: 43 displacement: [ -0.0050732117389922, 0.0000000000000000, 0.0086175705771030 ] forces: - [ -0.0045540100000000, -0.0001692700000000, 0.0048250300000000 ] - [ -0.0000947400000000, 0.0000000000000000, 0.0004717600000000 ] - [ -0.0045540100000000, 0.0001692700000000, 0.0048250300000000 ] - [ 0.0034012100000000, 0.0000000000000000, -0.0100012800000000 ] - [ 0.0002721100000000, -0.0000118500000000, -0.0019294500000000 ] - [ 0.0002721100000000, 0.0000118500000000, -0.0019294500000000 ] - [ -0.0064663300000000, 0.0000000000000000, 0.0079882800000000 ] - [ 0.0003069000000000, 0.0018363600000000, 0.0018252500000000 ] - [ 0.0003069000000000, -0.0018363600000000, 0.0018252500000000 ] - [ 0.0025899400000000, -0.0002923700000000, -0.0025400500000000 ] - [ 0.0003242100000000, 0.0000000000000000, -0.0001121400000000 ] - [ 0.0025899400000000, 0.0002923700000000, -0.0025400500000000 ] - [ 0.0015804300000000, 0.0000000000000000, -0.0009777900000000 ] - [ 0.0010752600000000, -0.0002778500000000, -0.0006220600000000 ] - [ 0.0010752600000000, 0.0002778500000000, -0.0006220600000000 ] - [ -0.0014433000000000, -0.0013302000000000, 0.0001547500000000 ] - [ -0.0005582000000000, 0.0000000000000000, 0.0004657600000000 ] - [ -0.0014433000000000, 0.0013302000000000, 0.0001547500000000 ] - [ 0.0040858000000000, -0.0048183300000000, 0.0021607100000000 ] - [ 0.0007839200000000, 0.0000000000000000, -0.0004369100000000 ] - [ 0.0040858000000000, 0.0048183300000000, 0.0021607100000000 ] - [ -0.0024364100000000, 0.0000000000000000, 0.0032657900000000 ] - [ -0.0012190100000000, -0.0009212000000000, 0.0018148800000000 ] - [ -0.0012190100000000, 0.0009212000000000, 0.0018148800000000 ] - [ -0.0002229900000000, 0.0004645100000000, -0.0014272500000000 ] - [ -0.0006154800000000, 0.0000000000000000, -0.0010928600000000 ] - [ -0.0002229900000000, -0.0004645100000000, -0.0014272500000000 ] - [ 0.0011698100000000, 0.0000957300000000, 0.0002725800000000 ] - [ 0.0005916300000000, 0.0000000000000000, 0.0003929400000000 ] - [ 0.0011698100000000, -0.0000957300000000, 0.0002725800000000 ] - [ 0.0003370100000000, 0.0000000000000000, -0.0010586500000000 ] - [ -0.0001106300000000, -0.0001859800000000, -0.0007019100000000 ] - [ -0.0001106300000000, 0.0001859800000000, -0.0007019100000000 ] - [ -0.1273862400000000, 0.0000000000000000, 0.0874312800000000 ] - [ -0.0008107400000000, -0.0003636700000000, 0.0009925800000000 ] - [ -0.0008107400000000, 0.0003636700000000, 0.0009925800000000 ] - [ 0.0041115500000000, 0.0000000000000000, 0.0087714600000000 ] - [ 0.0024288800000000, -0.0038116200000000, 0.0032720200000000 ] - [ 0.0024288800000000, 0.0038116200000000, 0.0032720200000000 ] - [ -0.0016803900000000, 0.0009740600000000, 0.0017323200000000 ] - [ -0.0006052800000000, 0.0000000000000000, 0.0007075600000000 ] - [ -0.0016803900000000, -0.0009740600000000, 0.0017323200000000 ] - [ 0.1478866200000000, 0.0000000000000000, -0.1063555800000000 ] - [ 0.0009816000000000, -0.0010811000000000, -0.0025198100000000 ] - [ 0.0009816000000000, 0.0010811000000000, -0.0025198100000000 ] - [ -0.0016319900000000, 0.0004696500000000, 0.0038777500000000 ] - [ -0.0001044400000000, 0.0000000000000000, 0.0004882100000000 ] - [ -0.0016319900000000, -0.0004696500000000, 0.0038777500000000 ] - [ -0.0071756400000000, -0.0077099800000000, 0.0000765400000000 ] - [ -0.0002599900000000, 0.0000000000000000, 0.0001347100000000 ] - [ -0.0071756400000000, 0.0077099800000000, 0.0000765400000000 ] - [ -0.0010447600000000, 0.0000000000000000, 0.0029752100000000 ] - [ -0.0001714800000000, -0.0001071400000000, 0.0010097700000000 ] - [ -0.0001714800000000, 0.0001071400000000, 0.0010097700000000 ] - [ -0.0003034700000000, -0.0010739500000000, -0.0013748000000000 ] - [ -0.0000213200000000, 0.0000000000000000, -0.0004094600000000 ] - [ -0.0003034700000000, 0.0010739500000000, -0.0013748000000000 ] - [ -0.0021922700000000, 0.0000000000000000, 0.0003411000000000 ] - [ -0.0012968100000000, -0.0003800800000000, -0.0001944700000000 ] - [ -0.0012968100000000, 0.0003800800000000, -0.0001944700000000 ] - [ 0.0000407200000000, 0.0007554700000000, 0.0012111200000000 ] - [ 0.0000686200000000, 0.0000000000000000, 0.0004693400000000 ] - [ 0.0000407200000000, -0.0007554700000000, 0.0012111200000000 ] - [ 0.0034497000000000, 0.0000000000000000, 0.0000742600000000 ] - [ -0.0000712100000000, 0.0002669500000000, -0.0005418500000000 ] - [ -0.0000712100000000, -0.0002669500000000, -0.0005418500000000 ] - [ -0.0013514900000000, 0.0001018000000000, -0.0004087600000000 ] - [ -0.0007126400000000, 0.0000000000000000, -0.0002343100000000 ] - [ -0.0013514900000000, -0.0001018000000000, -0.0004087600000000 ] - [ 0.0003216800000000, 0.0000000000000000, 0.0002436900000000 ] - [ 0.0001106700000000, 0.0002732900000000, 0.0000510900000000 ] - [ 0.0001106700000000, -0.0002732900000000, 0.0000510900000000 ] - [ -0.0011636100000000, 0.0000000000000000, -0.0019533600000000 ] - [ -0.0005765100000000, 0.0011454800000000, -0.0008446400000000 ] - [ -0.0005765100000000, -0.0011454800000000, -0.0008446400000000 ] - [ 0.0006031000000000, -0.0000587500000000, 0.0000792300000000 ] - [ 0.0007686700000000, 0.0000000000000000, -0.0000398900000000 ] - [ 0.0006031000000000, 0.0000587500000000, 0.0000792300000000 ] - [ -0.0041304900000000, 0.0000000000000000, -0.0015293100000000 ] - [ 0.0004606600000000, 0.0006856600000000, 0.0004951400000000 ] - [ 0.0004606600000000, -0.0006856600000000, 0.0004951400000000 ] - [ 0.0004433900000000, 0.0028710600000000, -0.0053424500000000 ] - [ 0.0002686100000000, 0.0000000000000000, -0.0008263400000000 ] - [ 0.0004433900000000, -0.0028710600000000, -0.0053424500000000 ]- atom: 43 displacement: [ 0.0050732117389922, 0.0000000000000000, -0.0086175705771030 ] forces: - [ 0.0049554800000000, 0.0004052100000000, -0.0059465100000000 ] - [ 0.0005519500000000, 0.0000000000000000, -0.0014152700000000 ] - [ 0.0049554800000000, -0.0004052100000000, -0.0059465100000000 ] - [ -0.0041811200000000, 0.0000000000000000, 0.0098446100000000 ] - [ -0.0010660400000000, 0.0000044300000000, 0.0018366500000000 ] - [ -0.0010660400000000, -0.0000044300000000, 0.0018366500000000 ] - [ 0.0072738300000000, 0.0000000000000000, -0.0078808700000000 ] - [ 0.0004892800000000, -0.0018266200000000, -0.0017392100000000 ] - [ 0.0004892800000000, 0.0018266200000000, -0.0017392100000000 ] - [ -0.0030540700000000, 0.0002902300000000, 0.0034671100000000 ] - [ -0.0007825100000000, 0.0000000000000000, 0.0010478600000000 ] - [ -0.0030540700000000, -0.0002902300000000, 0.0034671100000000 ] - [ -0.0011073000000000, 0.0000000000000000, 0.0000445700000000 ] - [ -0.0006150200000000, 0.0002789000000000, -0.0003136700000000 ] - [ -0.0006150200000000, -0.0002789000000000, -0.0003136700000000 ] - [ 0.0006545800000000, 0.0013320600000000, -0.0002327500000000 ] - [ -0.0002337200000000, 0.0000000000000000, -0.0005502800000000 ] - [ 0.0006545800000000, -0.0013320600000000, -0.0002327500000000 ] - [ -0.0032697200000000, 0.0047636900000000, -0.0020333300000000 ] - [ 0.0000088100000000, 0.0000000000000000, 0.0005254900000000 ] - [ -0.0032697200000000, -0.0047636900000000, -0.0020333300000000 ] - [ 0.0019714400000000, 0.0000000000000000, -0.0023329400000000 ] - [ 0.0007611100000000, 0.0009222400000000, -0.0008795100000000 ] - [ 0.0007611100000000, -0.0009222400000000, -0.0008795100000000 ] - [ -0.0002098900000000, -0.0004664600000000, 0.0002911700000000 ] - [ 0.0001768100000000, 0.0000000000000000, -0.0000399000000000 ] - [ -0.0002098900000000, 0.0004664600000000, 0.0002911700000000 ] - [ -0.0007199800000000, -0.0000946400000000, 0.0008571800000000 ] - [ -0.0001488400000000, 0.0000000000000000, 0.0007397500000000 ] - [ -0.0007199800000000, 0.0000946400000000, 0.0008571800000000 ] - [ -0.0007940400000000, 0.0000000000000000, -0.0000775200000000 ] - [ -0.0003332400000000, 0.0001858900000000, -0.0004301800000000 ] - [ -0.0003332400000000, -0.0001858900000000, -0.0004301800000000 ] - [ 0.1215097800000000, 0.0000000000000000, -0.0831270600000000 ] - [ 0.0012446900000000, 0.0003623200000000, 0.0001464700000000 ] - [ 0.0012446900000000, -0.0003623200000000, 0.0001464700000000 ] - [ -0.0034561600000000, 0.0000000000000000, -0.0079498400000000 ] - [ -0.0017166300000000, 0.0038166500000000, -0.0024205800000000 ] - [ -0.0017166300000000, -0.0038166500000000, -0.0024205800000000 ] - [ 0.0010880000000000, -0.0009620400000000, -0.0017281400000000 ] - [ 0.0000218900000000, 0.0000000000000000, -0.0007108200000000 ] - [ 0.0010880000000000, 0.0009620400000000, -0.0017281400000000 ] - [ -0.1415578300000000, 0.0000000000000000, 0.1023320300000000 ] - [ -0.0013064000000000, 0.0010757000000000, 0.0014100800000000 ] - [ -0.0013064000000000, -0.0010757000000000, 0.0014100800000000 ] - [ 0.0020529000000000, -0.0004486400000000, -0.0035008600000000 ] - [ 0.0005276100000000, 0.0000000000000000, -0.0001204600000000 ] - [ 0.0020529000000000, 0.0004486400000000, -0.0035008600000000 ] - [ 0.0067913200000000, 0.0077559600000000, -0.0003927100000000 ] - [ -0.0001628900000000, 0.0000000000000000, -0.0004957500000000 ] - [ 0.0067913200000000, -0.0077559600000000, -0.0003927100000000 ] - [ 0.0013824300000000, 0.0000000000000000, -0.0018500400000000 ] - [ 0.0005054600000000, 0.0001068100000000, 0.0001048900000000 ] - [ 0.0005054600000000, -0.0001068100000000, 0.0001048900000000 ] - [ 0.0008767200000000, 0.0010643900000000, 0.0013706800000000 ] - [ 0.0006021600000000, 0.0000000000000000, 0.0004118500000000 ] - [ 0.0008767200000000, -0.0010643900000000, 0.0013706800000000 ] - [ 0.0014626000000000, 0.0000000000000000, -0.0011641400000000 ] - [ 0.0005846600000000, 0.0003790400000000, -0.0006602600000000 ] - [ 0.0005846600000000, -0.0003790400000000, -0.0006602600000000 ] - [ 0.0006686100000000, -0.0007559400000000, -0.0003568700000000 ] - [ 0.0006422400000000, 0.0000000000000000, 0.0003865200000000 ] - [ 0.0006686100000000, 0.0007559400000000, -0.0003568700000000 ] - [ -0.0040022100000000, 0.0000000000000000, -0.0000959600000000 ] - [ -0.0005086100000000, -0.0002683200000000, 0.0005363100000000 ] - [ -0.0005086100000000, 0.0002683200000000, 0.0005363100000000 ] - [ 0.0010112500000000, -0.0001009900000000, -0.0007059100000000 ] - [ 0.0003814100000000, 0.0000000000000000, -0.0008797600000000 ] - [ 0.0010112500000000, 0.0001009900000000, -0.0007059100000000 ] - [ 0.0000967900000000, 0.0000000000000000, 0.0001152200000000 ] - [ 0.0003107500000000, -0.0002737600000000, 0.0003110000000000 ] - [ 0.0003107500000000, 0.0002737600000000, 0.0003110000000000 ] - [ 0.0007319300000000, 0.0000000000000000, 0.0015690600000000 ] - [ 0.0001540600000000, -0.0011379600000000, 0.0004717700000000 ] - [ 0.0001540600000000, 0.0011379600000000, 0.0004717700000000 ] - [ -0.0002805300000000, 0.0000602300000000, 0.0010369600000000 ] - [ -0.0004395900000000, 0.0000000000000000, 0.0011539100000000 ] - [ -0.0002805300000000, -0.0000602300000000, 0.0010369600000000 ] - [ 0.0043858600000000, 0.0000000000000000, 0.0016086500000000 ] - [ 0.0001247000000000, -0.0006787100000000, -0.0004928500000000 ] - [ 0.0001247000000000, 0.0006787100000000, -0.0004928500000000 ] - [ -0.0011351000000000, -0.0028570800000000, 0.0044642900000000 ] - [ -0.0009780500000000, 0.0000000000000000, -0.0000313300000000 ] - [ -0.0011351000000000, 0.0028570800000000, 0.0044642900000000 ]- atom: 46 displacement: [ 0.0099999474480149, 0.0000000000000000, -0.0000324196998736 ] forces: - [ 0.0232107700000000, 0.0000000000000000, -0.0092939800000000 ] - [ 0.0023842400000000, 0.0028578600000000, 0.0010741300000000 ] - [ 0.0023842400000000, -0.0028578600000000, 0.0010741300000000 ] - [ 0.0139919000000000, 0.0031070400000000, 0.0021444700000000 ] - [ 0.0139919000000000, -0.0031070400000000, 0.0021444700000000 ] - [ 0.0009782400000000, 0.0000000000000000, 0.0001051700000000 ] - [ 0.0028362000000000, 0.0014820600000000, -0.0007106700000000 ] - [ 0.0028362000000000, -0.0014820600000000, -0.0007106700000000 ] - [ 0.0013468300000000, 0.0000000000000000, 0.0002393800000000 ] - [ 0.0172785800000000, 0.0000000000000000, 0.0004617600000000 ] - [ 0.0014777500000000, -0.0034004600000000, -0.0000903700000000 ] - [ 0.0014777500000000, 0.0034004600000000, -0.0000903700000000 ] - [ -0.0034893800000000, 0.0014045900000000, -0.0017850000000000 ] - [ -0.0034893800000000, -0.0014045900000000, -0.0017850000000000 ] - [ -0.0010109300000000, 0.0000000000000000, -0.0008789100000000 ] - [ -0.0038844200000000, 0.0000000000000000, -0.0001870500000000 ] - [ -0.0020484500000000, -0.0005837400000000, -0.0005850600000000 ] - [ -0.0020484500000000, 0.0005837400000000, -0.0005850600000000 ] - [ -0.0007961300000000, 0.0000000000000000, -0.0010429300000000 ] - [ -0.0004594200000000, 0.0005190200000000, -0.0004178400000000 ] - [ -0.0004594200000000, -0.0005190200000000, -0.0004178400000000 ] - [ -0.0046303600000000, -0.0016798600000000, 0.0004050100000000 ] - [ -0.0046303600000000, 0.0016798600000000, 0.0004050100000000 ] - [ -0.0014014600000000, 0.0000000000000000, 0.0004651000000000 ] - [ -0.0035640500000000, 0.0000000000000000, -0.0013105600000000 ] - [ -0.0006762100000000, 0.0005631900000000, -0.0012151600000000 ] - [ -0.0006762100000000, -0.0005631900000000, -0.0012151600000000 ] - [ -0.0007310600000000, 0.0000000000000000, -0.0004436200000000 ] - [ -0.0002731700000000, -0.0003612400000000, -0.0000644900000000 ] - [ -0.0002731700000000, 0.0003612400000000, -0.0000644900000000 ] - [ -0.0031159600000000, -0.0004436600000000, 0.0012323600000000 ] - [ -0.0031159600000000, 0.0004436600000000, 0.0012323600000000 ] - [ -0.0002904300000000, 0.0000000000000000, -0.0002966900000000 ] - [ -0.0003559700000000, -0.0003048800000000, 0.0018189900000000 ] - [ -0.0003559700000000, 0.0003048800000000, 0.0018189900000000 ] - [ 0.0002740400000000, 0.0000000000000000, 0.0008559700000000 ] - [ 0.0068369600000000, 0.0102036700000000, 0.0007936500000000 ] - [ 0.0068369600000000, -0.0102036700000000, 0.0007936500000000 ] - [ 0.0003518600000000, 0.0000000000000000, 0.0006955800000000 ] - [ 0.0017980800000000, 0.0000000000000000, 0.0071686800000000 ] - [ -0.0001008200000000, -0.0004984500000000, 0.0004676400000000 ] - [ -0.0001008200000000, 0.0004984500000000, 0.0004676400000000 ] - [ -0.0020414400000000, 0.0032522400000000, -0.0038085600000000 ] - [ -0.0020414400000000, -0.0032522400000000, -0.0038085600000000 ] - [ -0.0008133400000000, 0.0000000000000000, -0.0013063800000000 ] - [ -0.0833420900000000, 0.0000000000000000, 0.0000842600000000 ] - [ -0.0024254600000000, -0.0010783400000000, -0.0006874900000000 ] - [ -0.0024254600000000, 0.0010783400000000, -0.0006874900000000 ] - [ -0.0115556000000000, 0.0000000000000000, 0.0079180800000000 ] - [ -0.0023178400000000, 0.0005419400000000, -0.0002634600000000 ] - [ -0.0023178400000000, -0.0005419400000000, -0.0002634600000000 ] - [ 0.0052579400000000, -0.0105341800000000, -0.0045848000000000 ] - [ 0.0052579400000000, 0.0105341800000000, -0.0045848000000000 ] - [ -0.0006495700000000, 0.0000000000000000, 0.0000235600000000 ] - [ 0.0009177100000000, 0.0000000000000000, 0.0001511900000000 ] - [ 0.0004141700000000, 0.0003393500000000, 0.0003101400000000 ] - [ 0.0004141700000000, -0.0003393500000000, 0.0003101400000000 ] - [ 0.0012711600000000, -0.0061479300000000, 0.0041005300000000 ] - [ 0.0012711600000000, 0.0061479300000000, 0.0041005300000000 ] - [ -0.0001320600000000, 0.0000000000000000, 0.0002745900000000 ] - [ 0.0084486000000000, 0.0000000000000000, -0.0017077800000000 ] - [ 0.0012436500000000, 0.0007804100000000, 0.0006552200000000 ] - [ 0.0012436500000000, -0.0007804100000000, 0.0006552200000000 ] - [ 0.0011550300000000, 0.0000114000000000, -0.0006860900000000 ] - [ 0.0011550300000000, -0.0000114000000000, -0.0006860900000000 ] - [ -0.0001960800000000, 0.0000000000000000, -0.0001117000000000 ] - [ 0.0014098300000000, 0.0000000000000000, 0.0005006300000000 ] - [ 0.0008928700000000, 0.0002298400000000, -0.0000506200000000 ] - [ 0.0008928700000000, -0.0002298400000000, -0.0000506200000000 ] - [ 0.0024140900000000, -0.0003922700000000, 0.0005383500000000 ] - [ 0.0024140900000000, 0.0003922700000000, 0.0005383500000000 ] - [ 0.0012612000000000, 0.0000000000000000, 0.0003873300000000 ] - [ 0.0017110000000000, 0.0006939700000000, -0.0000436000000000 ] - [ 0.0017110000000000, -0.0006939700000000, -0.0000436000000000 ] - [ 0.0007403900000000, 0.0000000000000000, 0.0000224300000000 ] - [ 0.0024910500000000, 0.0000000000000000, 0.0008274000000000 ] - [ 0.0014619800000000, -0.0004279900000000, 0.0008950400000000 ] - [ 0.0014619800000000, 0.0004279900000000, 0.0008950400000000 ] - [ -0.0005498600000000, -0.0000745400000000, 0.0005673300000000 ] - [ -0.0005498600000000, 0.0000745400000000, 0.0005673300000000 ] - [ 0.0001416800000000, 0.0000000000000000, -0.0000605600000000 ] - [ 0.0058098800000000, 0.0000000000000000, -0.0015521800000000 ] - [ 0.0000896500000000, -0.0007043900000000, -0.0010040500000000 ] - [ 0.0000896500000000, 0.0007043900000000, -0.0010040500000000 ]- atom: 46 displacement: [ -0.0099999474480149, 0.0000000000000000, 0.0000324196998736 ] forces: - [ -0.0233671900000000, 0.0000000000000000, 0.0092180200000000 ] - [ -0.0019437800000000, -0.0028619000000000, -0.0019910100000000 ] - [ -0.0019437800000000, 0.0028619000000000, -0.0019910100000000 ] - [ -0.0147295700000000, -0.0032253200000000, -0.0022475000000000 ] - [ -0.0147295700000000, 0.0032253200000000, -0.0022475000000000 ] - [ -0.0017615100000000, 0.0000000000000000, -0.0001943000000000 ] - [ -0.0020260500000000, -0.0014839600000000, 0.0007956100000000 ] - [ -0.0020260500000000, 0.0014839600000000, 0.0007956100000000 ] - [ -0.0005459700000000, 0.0000000000000000, -0.0001497400000000 ] - [ -0.0163576200000000, 0.0000000000000000, 0.0010980900000000 ] - [ -0.0018998300000000, 0.0033795600000000, 0.0010443000000000 ] - [ -0.0018998300000000, -0.0033795600000000, 0.0010443000000000 ] - [ 0.0039124700000000, -0.0013830600000000, 0.0008388700000000 ] - [ 0.0039124700000000, 0.0013830600000000, 0.0008388700000000 ] - [ 0.0014626000000000, 0.0000000000000000, -0.0000625700000000 ] - [ 0.0030703200000000, 0.0000000000000000, 0.0001082200000000 ] - [ 0.0012475500000000, 0.0005772900000000, 0.0004982500000000 ] - [ 0.0012475500000000, -0.0005772900000000, 0.0004982500000000 ] - [ 0.0015822500000000, 0.0000000000000000, 0.0010905600000000 ] - [ 0.0012477800000000, -0.0005184300000000, 0.0004773900000000 ] - [ 0.0012477800000000, 0.0005184300000000, 0.0004773900000000 ] - [ 0.0041740300000000, 0.0016834600000000, 0.0005336200000000 ] - [ 0.0041740300000000, -0.0016834600000000, 0.0005336200000000 ] - [ 0.0009370100000000, 0.0000000000000000, 0.0004738500000000 ] - [ 0.0030951000000000, 0.0000000000000000, 0.0001931600000000 ] - [ 0.0002169800000000, -0.0005674300000000, 0.0000966100000000 ] - [ 0.0002169800000000, 0.0005674300000000, 0.0000966100000000 ] - [ 0.0011665000000000, 0.0000000000000000, 0.0015638800000000 ] - [ 0.0007087100000000, 0.0003563600000000, 0.0011906400000000 ] - [ 0.0007087100000000, -0.0003563600000000, 0.0011906400000000 ] - [ 0.0026691900000000, 0.0004396600000000, -0.0023585600000000 ] - [ 0.0026691900000000, -0.0004396600000000, -0.0023585600000000 ] - [ -0.0001480200000000, 0.0000000000000000, -0.0008356300000000 ] - [ 0.0008200100000000, 0.0003070200000000, -0.0006958300000000 ] - [ 0.0008200100000000, -0.0003070200000000, -0.0006958300000000 ] - [ 0.0001704700000000, 0.0000000000000000, 0.0002752800000000 ] - [ -0.0061580800000000, -0.0103242400000000, 0.0000433600000000 ] - [ -0.0061580800000000, 0.0103242400000000, 0.0000433600000000 ] - [ 0.0003663700000000, 0.0000000000000000, 0.0001519300000000 ] - [ -0.0023331800000000, 0.0000000000000000, -0.0071846500000000 ] - [ -0.0004430900000000, 0.0004507300000000, -0.0004461200000000 ] - [ -0.0004430900000000, -0.0004507300000000, -0.0004461200000000 ] - [ 0.0017055000000000, -0.0032807800000000, 0.0027039600000000 ] - [ 0.0017055000000000, 0.0032807800000000, 0.0027039600000000 ] - [ 0.0004769500000000, 0.0000000000000000, 0.0001916100000000 ] - [ 0.0829260300000000, 0.0000000000000000, -0.0010713200000000 ] - [ 0.0028312900000000, 0.0010236500000000, 0.0010105100000000 ] - [ 0.0028312900000000, -0.0010236500000000, 0.0010105100000000 ] - [ 0.0110312800000000, 0.0000000000000000, -0.0083266300000000 ] - [ 0.0018856200000000, -0.0005389900000000, -0.0001111000000000 ] - [ 0.0018856200000000, 0.0005389900000000, -0.0001111000000000 ] - [ -0.0049294400000000, 0.0104006600000000, 0.0056236400000000 ] - [ -0.0049294400000000, -0.0104006600000000, 0.0056236400000000 ] - [ 0.0009670200000000, 0.0000000000000000, 0.0010854600000000 ] - [ -0.0003361200000000, 0.0000000000000000, -0.0001498200000000 ] - [ 0.0001687500000000, -0.0003364900000000, -0.0003030000000000 ] - [ 0.0001687500000000, 0.0003364900000000, -0.0003030000000000 ] - [ -0.0019709600000000, 0.0060567400000000, -0.0049065200000000 ] - [ -0.0019709600000000, -0.0060567400000000, -0.0049065200000000 ] - [ -0.0005790900000000, 0.0000000000000000, -0.0011295100000000 ] - [ -0.0076503700000000, 0.0000000000000000, 0.0025239800000000 ] - [ -0.0005309900000000, -0.0007724300000000, 0.0001997100000000 ] - [ -0.0005309900000000, 0.0007724300000000, 0.0001997100000000 ] - [ -0.0017324800000000, -0.0000120800000000, 0.0006783200000000 ] - [ -0.0017324800000000, 0.0000120800000000, 0.0006783200000000 ] - [ -0.0003883100000000, 0.0000000000000000, 0.0001058500000000 ] - [ -0.0017289700000000, 0.0000000000000000, -0.0016044100000000 ] - [ -0.0012135300000000, -0.0002251700000000, -0.0010564800000000 ] - [ -0.0012135300000000, 0.0002251700000000, -0.0010564800000000 ] - [ -0.0019805300000000, 0.0003848100000000, -0.0001730600000000 ] - [ -0.0019805300000000, -0.0003848100000000, -0.0001730600000000 ] - [ -0.0008324100000000, 0.0000000000000000, -0.0000190700000000 ] - [ -0.0021231800000000, -0.0006958700000000, -0.0003119000000000 ] - [ -0.0021231800000000, 0.0006958700000000, -0.0003119000000000 ] - [ -0.0011564600000000, 0.0000000000000000, -0.0003825900000000 ] - [ -0.0021427600000000, 0.0000000000000000, 0.0002811600000000 ] - [ -0.0011209000000000, 0.0004309300000000, 0.0002137000000000 ] - [ -0.0011209000000000, -0.0004309300000000, 0.0002137000000000 ] - [ 0.0011036400000000, 0.0000763600000000, -0.0005132700000000 ] - [ 0.0011036400000000, -0.0000763600000000, -0.0005132700000000 ] - [ 0.0004358700000000, 0.0000000000000000, 0.0000725500000000 ] - [ -0.0065353900000000, 0.0000000000000000, 0.0007039100000000 ] - [ -0.0008013400000000, 0.0007071000000000, 0.0001522000000000 ] - [ -0.0008013400000000, -0.0007071000000000, 0.0001522000000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001755500000000, 0.0163242000000000, -0.0004685200000000 ] - [ 0.0018656600000000, -0.0043923300000000, -0.0038496600000000 ] - [ -0.0013957600000000, -0.0044001100000000, 0.0028795900000000 ] - [ 0.0021109700000000, 0.0200207000000000, 0.0081502900000000 ] - [ -0.0031821600000000, 0.0212930300000000, -0.0092054900000000 ] - [ -0.0003948900000000, -0.0094359200000000, -0.0000453200000000 ] - [ 0.0014361800000000, 0.0010068600000000, 0.0006355200000000 ] - [ -0.0006493900000000, 0.0010629900000000, -0.0005111100000000 ] - [ 0.0003908000000000, -0.0023369000000000, 0.0000476100000000 ] - [ -0.0001644100000000, 0.0143475500000000, 0.0004755100000000 ] - [ -0.0033531100000000, -0.0034117400000000, -0.0020511900000000 ] - [ 0.0028672400000000, -0.0034264500000000, 0.0029672900000000 ] - [ 0.0003943400000000, 0.0007473600000000, -0.0001720700000000 ] - [ 0.0000790800000000, 0.0007651600000000, -0.0007642000000000 ] - [ 0.0002300500000000, -0.0015456100000000, -0.0004694900000000 ] - [ -0.0003929700000000, 0.0023791600000000, -0.0000488900000000 ] - [ -0.0004210700000000, -0.0011662500000000, -0.0001685800000000 ] - [ -0.0003624200000000, -0.0011742600000000, 0.0000748700000000 ] - [ 0.0003974600000000, 0.0038845800000000, 0.0000558000000000 ] - [ 0.0007036700000000, -0.0019259200000000, 0.0024134600000000 ] - [ 0.0000868800000000, -0.0019261200000000, -0.0022908800000000 ] - [ -0.0030273100000000, 0.0010978000000000, 0.0009513400000000 ] - [ 0.0025742600000000, 0.0011193000000000, -0.0000190400000000 ] - [ -0.0002231300000000, -0.0024498900000000, 0.0004670500000000 ] - [ -0.0002275600000000, 0.0014957600000000, -0.0005662000000000 ] - [ 0.0016245200000000, -0.0003825700000000, -0.0013892800000000 ] - [ -0.0020481900000000, -0.0003867600000000, 0.0002435300000000 ] - [ 0.0002255900000000, 0.0001909700000000, 0.0005684900000000 ] - [ 0.0003607400000000, -0.0000900400000000, 0.0006908400000000 ] - [ 0.0000874900000000, -0.0000942800000000, 0.0004466800000000 ] - [ 0.0030035200000000, 0.0012137800000000, -0.0017770700000000 ] - [ -0.0034475000000000, 0.0012296900000000, 0.0006417600000000 ] - [ -0.0002245300000000, -0.0003439700000000, -0.0005660900000000 ] - [ 0.0015057100000000, 0.0000684800000000, -0.0002991200000000 ] - [ -0.0010915500000000, 0.0000692800000000, 0.0014467500000000 ] - [ 0.0002176400000000, -0.0003236400000000, 0.0005694400000000 ] - [ 0.0112095700000000, 0.0029533400000000, -0.0040758300000000 ] - [ -0.0105913200000000, 0.0029122700000000, 0.0050004700000000 ] - [ 0.0003517100000000, 0.0030535700000000, 0.0004359400000000 ] - [ -0.0002771100000000, -0.0091469500000000, 0.0000329000000000 ] - [ -0.0046536400000000, 0.0071107200000000, -0.0034020800000000 ] - [ 0.0040262500000000, 0.0070554000000000, 0.0033718200000000 ] - [ -0.0007829900000000, -0.0009935800000000, -0.0004045200000000 ] - [ 0.0004713500000000, -0.0010397300000000, -0.0007344000000000 ] - [ -0.0001608200000000, 0.0014889400000000, -0.0005579100000000 ] - [ 0.0004423100000000, -0.0867429300000000, 0.0011866500000000 ] - [ 0.0012804800000000, 0.0101850800000000, 0.0042296100000000 ] - [ -0.0008473000000000, 0.0101168600000000, -0.0038235800000000 ] - [ -0.0002269200000000, -0.0058396600000000, -0.0002590100000000 ] - [ 0.0003391400000000, 0.0010374200000000, 0.0016618200000000 ] - [ -0.0007532500000000, 0.0010495300000000, -0.0020065400000000 ] - [ -0.0133684400000000, 0.0036800000000000, 0.0015257400000000 ] - [ 0.0138254400000000, 0.0036451100000000, -0.0004134600000000 ] - [ 0.0001729900000000, 0.0018405700000000, 0.0005597000000000 ] - [ 0.0002872700000000, -0.0007307600000000, -0.0000034600000000 ] - [ 0.0002096800000000, 0.0003130600000000, -0.0001175100000000 ] - [ 0.0003683200000000, 0.0003202700000000, 0.0001163600000000 ] - [ -0.0010064500000000, -0.0014448700000000, -0.0009373600000000 ] - [ 0.0002800200000000, -0.0015047800000000, 0.0000585800000000 ] - [ -0.0003559900000000, 0.0020761800000000, -0.0004291100000000 ] - [ 0.0003269300000000, -0.0015613100000000, 0.0004423900000000 ] - [ 0.0013206900000000, 0.0009760300000000, 0.0009189400000000 ] - [ -0.0006059000000000, 0.0009811200000000, -0.0000536800000000 ] - [ -0.0023342800000000, -0.0004808000000000, 0.0007512500000000 ] - [ 0.0017685500000000, -0.0004871900000000, -0.0007689100000000 ] - [ -0.0002881200000000, 0.0005376600000000, -0.0000026400000000 ] - [ -0.0001686600000000, -0.0004941800000000, -0.0005566300000000 ] - [ -0.0004727700000000, 0.0002382800000000, -0.0010564100000000 ] - [ 0.0001339600000000, 0.0002428000000000, -0.0000632700000000 ] - [ 0.0005970200000000, -0.0005725200000000, 0.0004831800000000 ] - [ -0.0001825800000000, -0.0005803200000000, -0.0001197500000000 ] - [ 0.0002081700000000, 0.0011613200000000, 0.0001799500000000 ] - [ 0.0004812400000000, -0.0008116600000000, -0.0003565500000000 ] - [ -0.0009076100000000, -0.0008216500000000, -0.0000122600000000 ] - [ -0.0002126100000000, 0.0016981500000000, -0.0001830100000000 ] - [ 0.0001647000000000, -0.0010198900000000, 0.0005552200000000 ] - [ -0.0009893300000000, 0.0004980400000000, 0.0012105000000000 ] - [ 0.0013080400000000, 0.0005021100000000, -0.0000887900000000 ] - [ -0.0020795000000000, -0.0009918800000000, 0.0069091700000000 ] - [ 0.0026992200000000, -0.0010085600000000, -0.0069670600000000 ] - [ 0.0002938000000000, 0.0012597500000000, -0.0000039100000000 ] - [ -0.0003216100000000, -0.0022119700000000, -0.0004339600000000 ] - [ -0.0010076900000000, 0.0012214200000000, -0.0005036900000000 ] - [ 0.0002966100000000, 0.0012263000000000, -0.0003585400000000 ]- atom: 46 displacement: [ -0.0050732117389922, 0.0000000000000000, 0.0086175705771030 ] forces: - [ -0.0159649400000000, 0.0000000000000000, 0.0265920600000000 ] - [ -0.0009938200000000, -0.0035417800000000, 0.0005610000000000 ] - [ -0.0009938200000000, 0.0035417800000000, 0.0005610000000000 ] - [ -0.0057828300000000, 0.0036773800000000, 0.0148803600000000 ] - [ -0.0057828300000000, -0.0036773800000000, 0.0148803600000000 ] - [ -0.0007644600000000, 0.0000000000000000, -0.0002480100000000 ] - [ -0.0018724300000000, 0.0044102000000000, -0.0031830700000000 ] - [ -0.0018724300000000, -0.0044102000000000, -0.0031830700000000 ] - [ -0.0000116300000000, 0.0000000000000000, -0.0002077800000000 ] - [ -0.0096660500000000, 0.0000000000000000, 0.0138635400000000 ] - [ -0.0003157100000000, 0.0007403700000000, 0.0029178500000000 ] - [ -0.0003157100000000, -0.0007403700000000, 0.0029178500000000 ] - [ 0.0009526200000000, -0.0000067100000000, 0.0000068700000000 ] - [ 0.0009526200000000, 0.0000067100000000, 0.0000068700000000 ] - [ 0.0005975600000000, 0.0000000000000000, -0.0002697800000000 ] - [ 0.0006575600000000, 0.0000000000000000, -0.0003252300000000 ] - [ 0.0003078900000000, 0.0000023600000000, -0.0001558200000000 ] - [ 0.0003078900000000, -0.0000023600000000, -0.0001558200000000 ] - [ 0.0022090800000000, 0.0000000000000000, -0.0044112800000000 ] - [ 0.0008648200000000, -0.0000734900000000, -0.0014337800000000 ] - [ 0.0008648200000000, 0.0000734900000000, -0.0014337800000000 ] - [ 0.0028997400000000, 0.0019718000000000, 0.0014150900000000 ] - [ 0.0028997400000000, -0.0019718000000000, 0.0014150900000000 ] - [ 0.0001935300000000, 0.0000000000000000, 0.0005874900000000 ] - [ -0.0020259100000000, 0.0000000000000000, 0.0025084800000000 ] - [ -0.0012133100000000, -0.0005723700000000, 0.0008731200000000 ] - [ -0.0012133100000000, 0.0005723700000000, 0.0008731200000000 ] - [ -0.0005830900000000, 0.0000000000000000, 0.0009040600000000 ] - [ -0.0000589100000000, -0.0000042700000000, 0.0008403300000000 ] - [ -0.0000589100000000, 0.0000042700000000, 0.0008403300000000 ] - [ 0.0026748700000000, 0.0004045000000000, -0.0022497500000000 ] - [ 0.0026748700000000, -0.0004045000000000, -0.0022497500000000 ] - [ 0.0002424300000000, 0.0000000000000000, -0.0008814200000000 ] - [ 0.0034146800000000, 0.0003533800000000, -0.0019043700000000 ] - [ 0.0034146800000000, -0.0003533800000000, -0.0019043700000000 ] - [ 0.0006947900000000, 0.0000000000000000, 0.0000950100000000 ] - [ -0.0034192900000000, -0.0098870600000000, -0.0066443500000000 ] - [ -0.0034192900000000, 0.0098870600000000, -0.0066443500000000 ] - [ 0.0007260300000000, 0.0000000000000000, -0.0005239900000000 ] - [ 0.0063010300000000, 0.0000000000000000, 0.0050315500000000 ] - [ 0.0024681300000000, -0.0030021900000000, 0.0016085800000000 ] - [ 0.0024681300000000, 0.0030021900000000, 0.0016085800000000 ] - [ -0.0008309200000000, -0.0057155500000000, 0.0038505400000000 ] - [ -0.0008309200000000, 0.0057155500000000, 0.0038505400000000 ] - [ -0.0003033600000000, 0.0000000000000000, -0.0001438000000000 ] - [ 0.0434264700000000, 0.0000000000000000, -0.0801147900000000 ] - [ 0.0008043300000000, -0.0029436400000000, -0.0038434600000000 ] - [ 0.0008043300000000, 0.0029436400000000, -0.0038434600000000 ] - [ 0.0126770200000000, 0.0000000000000000, 0.0146820500000000 ] - [ 0.0007929900000000, 0.0013054200000000, -0.0013861000000000 ] - [ 0.0007929900000000, -0.0013054200000000, -0.0013861000000000 ] - [ -0.0081087300000000, 0.0068071900000000, 0.0000475400000000 ] - [ -0.0081087300000000, -0.0068071900000000, 0.0000475400000000 ] - [ -0.0002181900000000, 0.0000000000000000, 0.0006740600000000 ] - [ 0.0011367200000000, 0.0000000000000000, 0.0011477000000000 ] - [ 0.0006854500000000, 0.0004365200000000, 0.0003111100000000 ] - [ 0.0006854500000000, -0.0004365200000000, 0.0003111100000000 ] - [ 0.0005569800000000, 0.0002083000000000, -0.0021616700000000 ] - [ 0.0005569800000000, -0.0002083000000000, -0.0021616700000000 ] - [ -0.0003597000000000, 0.0000000000000000, -0.0011682100000000 ] - [ -0.0006185700000000, 0.0000000000000000, 0.0001568000000000 ] - [ -0.0003252700000000, -0.0002162100000000, 0.0000964000000000 ] - [ -0.0003252700000000, 0.0002162100000000, 0.0000964000000000 ] - [ -0.0017583100000000, -0.0002004900000000, 0.0016125400000000 ] - [ -0.0017583100000000, 0.0002004900000000, 0.0016125400000000 ] - [ -0.0006529300000000, 0.0000000000000000, 0.0003407000000000 ] - [ -0.0001242500000000, 0.0000000000000000, -0.0005299900000000 ] - [ -0.0001011800000000, 0.0000807300000000, -0.0005847600000000 ] - [ -0.0001011800000000, -0.0000807300000000, -0.0005847600000000 ] - [ -0.0006044900000000, -0.0000600500000000, -0.0000559600000000 ] - [ -0.0006044900000000, 0.0000600500000000, -0.0000559600000000 ] - [ -0.0001483900000000, 0.0000000000000000, 0.0002692800000000 ] - [ -0.0010697000000000, -0.0005037500000000, 0.0007397200000000 ] - [ -0.0010697000000000, 0.0005037500000000, 0.0007397200000000 ] - [ -0.0005169300000000, 0.0000000000000000, 0.0001199700000000 ] - [ 0.0002079500000000, 0.0000000000000000, -0.0006291400000000 ] - [ -0.0000364100000000, 0.0004862000000000, -0.0000112800000000 ] - [ -0.0000364100000000, -0.0004862000000000, -0.0000112800000000 ] - [ -0.0016946400000000, 0.0005458500000000, 0.0040730200000000 ] - [ -0.0016946400000000, -0.0005458500000000, 0.0040730200000000 ] - [ -0.0001926300000000, 0.0000000000000000, 0.0006392400000000 ] - [ -0.0115859700000000, 0.0000000000000000, 0.0012468600000000 ] - [ -0.0009031100000000, 0.0006905900000000, 0.0000775900000000 ] - [ -0.0009031100000000, -0.0006905900000000, 0.0000775900000000 ]- atom: 46 displacement: [ 0.0050732117389922, 0.0000000000000000, -0.0086175705771030 ] forces: - [ 0.0149065800000000, 0.0000000000000000, -0.0258209100000000 ] - [ 0.0014343100000000, 0.0035204800000000, -0.0014574800000000 ] - [ 0.0014343100000000, -0.0035204800000000, -0.0014574800000000 ] - [ 0.0048346600000000, -0.0040201400000000, -0.0151258800000000 ] - [ 0.0048346600000000, 0.0040201400000000, -0.0151258800000000 ] - [ -0.0000440000000000, 0.0000000000000000, 0.0001631800000000 ] - [ 0.0026407300000000, -0.0043951800000000, 0.0032588100000000 ] - [ 0.0026407300000000, 0.0043951800000000, 0.0032588100000000 ] - [ 0.0008058800000000, 0.0000000000000000, 0.0002869400000000 ] - [ 0.0093151400000000, 0.0000000000000000, -0.0128331000000000 ] - [ -0.0001316100000000, -0.0007201900000000, -0.0019898500000000 ] - [ -0.0001316100000000, 0.0007201900000000, -0.0019898500000000 ] - [ -0.0004763000000000, -0.0000001500000000, -0.0009209300000000 ] - [ -0.0004763000000000, 0.0000001500000000, -0.0009209300000000 ] - [ -0.0001368000000000, 0.0000000000000000, -0.0006534500000000 ] - [ -0.0014470600000000, 0.0000000000000000, 0.0002415700000000 ] - [ -0.0011056000000000, 0.0000002200000000, 0.0000759400000000 ] - [ -0.0011056000000000, -0.0000002200000000, 0.0000759400000000 ] - [ -0.0013737700000000, 0.0000000000000000, 0.0044633600000000 ] - [ -0.0000530900000000, 0.0000664600000000, 0.0015044100000000 ] - [ -0.0000530900000000, -0.0000664600000000, 0.0015044100000000 ] - [ -0.0033318800000000, -0.0019461600000000, -0.0004718200000000 ] - [ -0.0033318800000000, 0.0019461600000000, -0.0004718200000000 ] - [ -0.0006450700000000, 0.0000000000000000, 0.0003366100000000 ] - [ 0.0015606500000000, 0.0000000000000000, -0.0036340100000000 ] - [ 0.0007702700000000, 0.0005671800000000, -0.0019949800000000 ] - [ 0.0007702700000000, -0.0005671800000000, -0.0019949800000000 ] - [ 0.0010229300000000, 0.0000000000000000, 0.0002331200000000 ] - [ 0.0004985000000000, 0.0000073600000000, 0.0002961200000000 ] - [ 0.0004985000000000, -0.0000073600000000, 0.0002961200000000 ] - [ -0.0031034700000000, -0.0004074800000000, 0.0011089400000000 ] - [ -0.0031034700000000, 0.0004074800000000, 0.0011089400000000 ] - [ -0.0006791400000000, 0.0000000000000000, -0.0002538000000000 ] - [ -0.0029437300000000, -0.0003438400000000, 0.0030158600000000 ] - [ -0.0029437300000000, 0.0003438400000000, 0.0030158600000000 ] - [ -0.0002508100000000, 0.0000000000000000, 0.0010336300000000 ] - [ 0.0041418400000000, 0.0098114600000000, 0.0073921500000000 ] - [ 0.0041418400000000, -0.0098114600000000, 0.0073921500000000 ] - [ -0.0000108500000000, 0.0000000000000000, 0.0013670000000000 ] - [ -0.0069105200000000, 0.0000000000000000, -0.0049955700000000 ] - [ -0.0030355500000000, 0.0029913100000000, -0.0016055200000000 ] - [ -0.0030355500000000, -0.0029913100000000, -0.0016055200000000 ] - [ 0.0005115300000000, 0.0056385200000000, -0.0049098400000000 ] - [ 0.0005115300000000, -0.0056385200000000, -0.0049098400000000 ] - [ -0.0000277600000000, 0.0000000000000000, -0.0009654800000000 ] - [ -0.0414040100000000, 0.0000000000000000, 0.0788631600000000 ] - [ -0.0003727400000000, 0.0029169300000000, 0.0041902100000000 ] - [ -0.0003727400000000, -0.0029169300000000, 0.0041902100000000 ] - [ -0.0128784400000000, 0.0000000000000000, -0.0149316800000000 ] - [ -0.0012010200000000, -0.0013016300000000, 0.0010154400000000 ] - [ -0.0012010200000000, 0.0013016300000000, 0.0010154400000000 ] - [ 0.0084507600000000, -0.0068411700000000, 0.0011071000000000 ] - [ 0.0084507600000000, 0.0068411700000000, 0.0011071000000000 ] - [ 0.0005485700000000, 0.0000000000000000, 0.0004400900000000 ] - [ -0.0005447400000000, 0.0000000000000000, -0.0011425600000000 ] - [ -0.0000958900000000, -0.0004346100000000, -0.0003136100000000 ] - [ -0.0000958900000000, 0.0004346100000000, -0.0003136100000000 ] - [ -0.0012745100000000, -0.0001741200000000, 0.0012762900000000 ] - [ -0.0012745100000000, 0.0001741200000000, 0.0012762900000000 ] - [ -0.0003507600000000, 0.0000000000000000, 0.0003151800000000 ] - [ 0.0012658000000000, 0.0000000000000000, 0.0007142300000000 ] - [ 0.0010319600000000, 0.0002137400000000, 0.0007552700000000 ] - [ 0.0010319600000000, -0.0002137400000000, 0.0007552700000000 ] - [ 0.0011691700000000, 0.0002013600000000, -0.0016038700000000 ] - [ 0.0011691700000000, -0.0002013600000000, -0.0016038700000000 ] - [ 0.0000664700000000, 0.0000000000000000, -0.0003385400000000 ] - [ -0.0002182600000000, 0.0000000000000000, -0.0005843800000000 ] - [ -0.0002377800000000, -0.0000824200000000, -0.0005266500000000 ] - [ -0.0002377800000000, 0.0000824200000000, -0.0005266500000000 ] - [ 0.0010134000000000, 0.0000634600000000, 0.0004150700000000 ] - [ 0.0010134000000000, -0.0000634600000000, 0.0004150700000000 ] - [ 0.0005635400000000, 0.0000000000000000, 0.0000900600000000 ] - [ 0.0006375900000000, 0.0004970700000000, -0.0010985600000000 ] - [ 0.0006375900000000, -0.0004970700000000, -0.0010985600000000 ] - [ 0.0000936000000000, 0.0000000000000000, -0.0004804300000000 ] - [ 0.0001229500000000, 0.0000000000000000, 0.0017298100000000 ] - [ 0.0003681700000000, -0.0004826300000000, 0.0011157600000000 ] - [ 0.0003681700000000, 0.0004826300000000, 0.0011157600000000 ] - [ 0.0022522800000000, -0.0005583700000000, -0.0040427400000000 ] - [ 0.0022522800000000, 0.0005583700000000, -0.0040427400000000 ] - [ 0.0007762900000000, 0.0000000000000000, -0.0006352200000000 ] - [ 0.0107098400000000, 0.0000000000000000, -0.0020827600000000 ] - [ 0.0001898900000000, -0.0006839500000000, -0.0009286800000000 ] - [ 0.0001898900000000, 0.0006839500000000, -0.0009286800000000 ]