# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4e85c600-9860-4c2a-b470-f3c80b376eef/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 NaBiSe2 / I4_1/amd (141) / materials id 35015](https://mdr.nims.go.jp/datasets/c3cc131d-0763-400f-9403-1599537ba3d5) ## 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: "I4_1/amd" number: 141 Hall_symbol: "I 4bw 2bw -1bw"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -2.905233740000000, 2.905233740000000, 6.072766590000000 ] # a - [ 2.905233740000000, -2.905233740000000, 6.072766590000000 ] # b - [ 2.905233740000000, 2.905233740000000, -6.072766590000000 ] # c points: - symbol: Bi # 1 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 208.980400 - symbol: Bi # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 208.980400 - symbol: Na # 3 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Se # 5 coordinates: [ 0.007156830000000, 0.507156830000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 6 coordinates: [ 0.257156830000000, 0.257156830000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 7 coordinates: [ 0.492843170000000, 0.992843170000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 8 coordinates: [ 0.742843170000000, 0.742843170000000, 0.000000000000000 ] mass: 78.960000 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.172103191944893, 0.082334796272814 ] # a* - [ 0.172103191944893, 0.000000000000000, 0.082334796272814 ] # b* - [ 0.172103191944893, 0.172103191944893, 0.000000000000000 ] # c*unit_cell: lattice: - [ 5.810467480000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.810467480000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.145533179999999 ] # c points: - symbol: Bi # 1 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 2 - symbol: Bi # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 2 - symbol: Na # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Se # 9 coordinates: [ 0.000000000000000, 0.500000000000000, 0.507156830000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.257156830000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.492843170000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.742843170000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.500000000000000, 0.000000000000000, 0.007156830000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.757156830000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.992843170000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.242843170000000 ] mass: 78.960000 reduced_to: 12supercell: lattice: - [ 17.431402439999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 17.431402439999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.145533179999999 ] # c points: - symbol: Bi # 1 coordinates: [ 0.166666666666667, 0.000000000000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 3 coordinates: [ 0.833333333333333, 0.000000000000000, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 4 coordinates: [ 0.166666666666667, 0.333333333333333, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 5 coordinates: [ 0.500000000000000, 0.333333333333333, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 6 coordinates: [ 0.833333333333333, 0.333333333333333, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 7 coordinates: [ 0.166666666666667, 0.666666666666667, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 8 coordinates: [ 0.500000000000000, 0.666666666666667, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 9 coordinates: [ 0.833333333333333, 0.666666666666667, 0.250000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 11 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 12 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 13 coordinates: [ 0.000000000000000, 0.333333333333333, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 14 coordinates: [ 0.333333333333333, 0.333333333333333, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 15 coordinates: [ 0.666666666666667, 0.333333333333333, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 16 coordinates: [ 0.000000000000000, 0.666666666666667, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 17 coordinates: [ 0.333333333333333, 0.666666666666667, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 18 coordinates: [ 0.666666666666667, 0.666666666666667, 0.500000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 19 coordinates: [ 0.000000000000000, 0.166666666666667, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 20 coordinates: [ 0.333333333333333, 0.166666666666667, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 21 coordinates: [ 0.666666666666667, 0.166666666666667, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 22 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 23 coordinates: [ 0.333333333333333, 0.500000000000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 24 coordinates: [ 0.666666666666667, 0.500000000000000, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 25 coordinates: [ 0.000000000000000, 0.833333333333333, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 26 coordinates: [ 0.333333333333333, 0.833333333333333, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 27 coordinates: [ 0.666666666666667, 0.833333333333333, 0.750000000000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 28 coordinates: [ 0.166666666666667, 0.166666666666667, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 29 coordinates: [ 0.500000000000000, 0.166666666666667, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 30 coordinates: [ 0.833333333333333, 0.166666666666667, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 31 coordinates: [ 0.166666666666667, 0.500000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 33 coordinates: [ 0.833333333333333, 0.500000000000000, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 34 coordinates: [ 0.166666666666667, 0.833333333333333, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 35 coordinates: [ 0.500000000000000, 0.833333333333333, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 36 coordinates: [ 0.833333333333333, 0.833333333333333, 0.000000000000000 ] mass: 208.980400 reduced_to: 10 - symbol: Na # 37 coordinates: [ 0.000000000000000, 0.166666666666667, 0.250000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 38 coordinates: [ 0.333333333333333, 0.166666666666667, 0.250000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 39 coordinates: [ 0.666666666666667, 0.166666666666667, 0.250000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 40 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 41 coordinates: [ 0.333333333333333, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 42 coordinates: [ 0.666666666666667, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 43 coordinates: [ 0.000000000000000, 0.833333333333333, 0.250000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 44 coordinates: [ 0.333333333333333, 0.833333333333333, 0.250000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 45 coordinates: [ 0.666666666666667, 0.833333333333333, 0.250000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 46 coordinates: [ 0.166666666666667, 0.166666666666667, 0.500000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 47 coordinates: [ 0.500000000000000, 0.166666666666667, 0.500000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 48 coordinates: [ 0.833333333333333, 0.166666666666667, 0.500000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 49 coordinates: [ 0.166666666666667, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 50 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 51 coordinates: [ 0.833333333333333, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 52 coordinates: [ 0.166666666666667, 0.833333333333333, 0.500000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 53 coordinates: [ 0.500000000000000, 0.833333333333333, 0.500000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 54 coordinates: [ 0.833333333333333, 0.833333333333333, 0.500000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 55 coordinates: [ 0.166666666666667, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 56 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 57 coordinates: [ 0.833333333333333, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 58 coordinates: [ 0.166666666666667, 0.333333333333333, 0.750000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 59 coordinates: [ 0.500000000000000, 0.333333333333333, 0.750000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 60 coordinates: [ 0.833333333333333, 0.333333333333333, 0.750000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 61 coordinates: [ 0.166666666666667, 0.666666666666667, 0.750000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 62 coordinates: [ 0.500000000000000, 0.666666666666667, 0.750000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 63 coordinates: [ 0.833333333333333, 0.666666666666667, 0.750000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 64 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 65 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 66 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 67 coordinates: [ 0.000000000000000, 0.333333333333333, 0.000000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 68 coordinates: [ 0.333333333333333, 0.333333333333333, 0.000000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 69 coordinates: [ 0.666666666666667, 0.333333333333333, 0.000000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 70 coordinates: [ 0.000000000000000, 0.666666666666667, 0.000000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 71 coordinates: [ 0.333333333333333, 0.666666666666667, 0.000000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 72 coordinates: [ 0.666666666666667, 0.666666666666667, 0.000000000000000 ] mass: 22.989769 reduced_to: 46 - symbol: Se # 73 coordinates: [ 0.000000000000000, 0.166666666666667, 0.507156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 74 coordinates: [ 0.333333333333333, 0.166666666666667, 0.507156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 75 coordinates: [ 0.666666666666667, 0.166666666666667, 0.507156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 76 coordinates: [ 0.000000000000000, 0.500000000000000, 0.507156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 77 coordinates: [ 0.333333333333333, 0.500000000000000, 0.507156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 78 coordinates: [ 0.666666666666667, 0.500000000000000, 0.507156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 79 coordinates: [ 0.000000000000000, 0.833333333333333, 0.507156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 80 coordinates: [ 0.333333333333333, 0.833333333333333, 0.507156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 81 coordinates: [ 0.666666666666667, 0.833333333333333, 0.507156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 82 coordinates: [ 0.000000000000000, 0.000000000000000, 0.257156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 83 coordinates: [ 0.333333333333333, 0.000000000000000, 0.257156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 84 coordinates: [ 0.666666666666667, 0.000000000000000, 0.257156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 85 coordinates: [ 0.000000000000000, 0.333333333333333, 0.257156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 86 coordinates: [ 0.333333333333333, 0.333333333333333, 0.257156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 87 coordinates: [ 0.666666666666667, 0.333333333333333, 0.257156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 88 coordinates: [ 0.000000000000000, 0.666666666666667, 0.257156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 89 coordinates: [ 0.333333333333333, 0.666666666666667, 0.257156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 90 coordinates: [ 0.666666666666667, 0.666666666666667, 0.257156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 91 coordinates: [ 0.166666666666667, 0.000000000000000, 0.492843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 92 coordinates: [ 0.500000000000000, 0.000000000000000, 0.492843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 93 coordinates: [ 0.833333333333333, 0.000000000000000, 0.492843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 94 coordinates: [ 0.166666666666667, 0.333333333333333, 0.492843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 95 coordinates: [ 0.500000000000000, 0.333333333333333, 0.492843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 96 coordinates: [ 0.833333333333333, 0.333333333333333, 0.492843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 97 coordinates: [ 0.166666666666667, 0.666666666666667, 0.492843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 98 coordinates: [ 0.500000000000000, 0.666666666666667, 0.492843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 99 coordinates: [ 0.833333333333333, 0.666666666666667, 0.492843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 100 coordinates: [ 0.000000000000000, 0.000000000000000, 0.742843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 101 coordinates: [ 0.333333333333333, 0.000000000000000, 0.742843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 102 coordinates: [ 0.666666666666667, 0.000000000000000, 0.742843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 103 coordinates: [ 0.000000000000000, 0.333333333333333, 0.742843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 104 coordinates: [ 0.333333333333333, 0.333333333333333, 0.742843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 105 coordinates: [ 0.666666666666667, 0.333333333333333, 0.742843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 106 coordinates: [ 0.000000000000000, 0.666666666666667, 0.742843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 107 coordinates: [ 0.333333333333333, 0.666666666666667, 0.742843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 108 coordinates: [ 0.666666666666667, 0.666666666666667, 0.742843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 109 coordinates: [ 0.166666666666667, 0.000000000000000, 0.007156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 110 coordinates: [ 0.500000000000000, 0.000000000000000, 0.007156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 111 coordinates: [ 0.833333333333333, 0.000000000000000, 0.007156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 112 coordinates: [ 0.166666666666667, 0.333333333333333, 0.007156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 113 coordinates: [ 0.500000000000000, 0.333333333333333, 0.007156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 114 coordinates: [ 0.833333333333333, 0.333333333333333, 0.007156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 115 coordinates: [ 0.166666666666667, 0.666666666666667, 0.007156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 116 coordinates: [ 0.500000000000000, 0.666666666666667, 0.007156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 117 coordinates: [ 0.833333333333333, 0.666666666666667, 0.007156830000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 118 coordinates: [ 0.166666666666667, 0.166666666666667, 0.757156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 119 coordinates: [ 0.500000000000000, 0.166666666666667, 0.757156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 120 coordinates: [ 0.833333333333333, 0.166666666666667, 0.757156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 121 coordinates: [ 0.166666666666667, 0.500000000000000, 0.757156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 122 coordinates: [ 0.500000000000000, 0.500000000000000, 0.757156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 123 coordinates: [ 0.833333333333333, 0.500000000000000, 0.757156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 124 coordinates: [ 0.166666666666667, 0.833333333333333, 0.757156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 125 coordinates: [ 0.500000000000000, 0.833333333333333, 0.757156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 126 coordinates: [ 0.833333333333333, 0.833333333333333, 0.757156830000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 127 coordinates: [ 0.000000000000000, 0.166666666666667, 0.992843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 128 coordinates: [ 0.333333333333333, 0.166666666666667, 0.992843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 129 coordinates: [ 0.666666666666667, 0.166666666666667, 0.992843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 130 coordinates: [ 0.000000000000000, 0.500000000000000, 0.992843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 131 coordinates: [ 0.333333333333333, 0.500000000000000, 0.992843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 132 coordinates: [ 0.666666666666667, 0.500000000000000, 0.992843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 133 coordinates: [ 0.000000000000000, 0.833333333333333, 0.992843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 134 coordinates: [ 0.333333333333333, 0.833333333333333, 0.992843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 135 coordinates: [ 0.666666666666667, 0.833333333333333, 0.992843170000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 136 coordinates: [ 0.166666666666667, 0.166666666666667, 0.242843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 137 coordinates: [ 0.500000000000000, 0.166666666666667, 0.242843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 138 coordinates: [ 0.833333333333333, 0.166666666666667, 0.242843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 139 coordinates: [ 0.166666666666667, 0.500000000000000, 0.242843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 140 coordinates: [ 0.500000000000000, 0.500000000000000, 0.242843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 141 coordinates: [ 0.833333333333333, 0.500000000000000, 0.242843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 142 coordinates: [ 0.166666666666667, 0.833333333333333, 0.242843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 143 coordinates: [ 0.500000000000000, 0.833333333333333, 0.242843170000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 144 coordinates: [ 0.833333333333333, 0.833333333333333, 0.242843170000000 ] mass: 78.960000 reduced_to: 100born_effective_charge:- # 1 (Bi) - [ 5.530211470000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 5.530211470000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 4.835316530000000 ]- # 2 (Bi) - [ 5.530211470000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 5.530211470000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 4.835316530000000 ]- # 3 (Na) - [ 0.157156480000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 0.157156480000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 1.540467550000000 ]- # 4 (Na) - [ 0.157156480000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.157156480000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.540467550000000 ]- # 5 (Se) - [ -2.761361000000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -2.926006960000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -3.187892040000000 ]- # 6 (Se) - [ -2.926006960000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -2.761361000000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, -3.187892040000000 ]- # 7 (Se) - [ -2.926006960000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -2.761361000000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -3.187892040000000 ]- # 8 (Se) - [ -2.761361000000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -2.926006960000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, -3.187892040000000 ]dielectric_constant: - [ 6.860292730000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 6.860292730000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 10.488574370000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0553296200000000, 0.0000000000000000, -0.0000461600000000 ] - [ 0.0168989000000000, 0.0000000000000000, -0.0006813700000000 ] - [ 0.0168311000000000, 0.0000000000000000, 0.0006808200000000 ] - [ 0.0006923800000000, -0.0000162300000000, -0.0000035000000000 ] - [ 0.0001586000000000, 0.0007249500000000, 0.0001703200000000 ] - [ 0.0001626100000000, -0.0007210500000000, -0.0001700700000000 ] - [ 0.0006923800000000, 0.0000162300000000, -0.0000035000000000 ] - [ 0.0001586000000000, -0.0007249500000000, 0.0001703200000000 ] - [ 0.0001626100000000, 0.0007210500000000, -0.0001700700000000 ] - [ -0.0000562800000000, 0.0000000000000000, -0.0115188100000000 ] - [ -0.0000577800000000, 0.0000000000000000, 0.0116386700000000 ] - [ 0.0018930300000000, 0.0000000000000000, -0.0000168000000000 ] - [ -0.0001995400000000, -0.0005469100000000, 0.0002803400000000 ] - [ -0.0002035700000000, 0.0005524700000000, -0.0002851000000000 ] - [ 0.0003912000000000, 0.0000000200000000, -0.0000003500000000 ] - [ -0.0001995400000000, 0.0005469100000000, 0.0002803400000000 ] - [ -0.0002035700000000, -0.0005524700000000, -0.0002851000000000 ] - [ 0.0003912000000000, -0.0000000200000000, -0.0000003500000000 ] - [ -0.0003429600000000, -0.0007186700000000, -0.0003090100000000 ] - [ -0.0003492400000000, 0.0007281900000000, 0.0003102700000000 ] - [ 0.0006055200000000, -0.0000000400000000, -0.0000006500000000 ] - [ -0.0001339100000000, 0.0000000000000000, -0.0002374800000000 ] - [ -0.0001368400000000, 0.0000000000000000, 0.0002409400000000 ] - [ 0.0002658800000000, 0.0000000000000000, 0.0000004900000000 ] - [ -0.0003429600000000, 0.0007186700000000, -0.0003090100000000 ] - [ -0.0003492400000000, -0.0007281900000000, 0.0003102700000000 ] - [ 0.0006055200000000, 0.0000000400000000, -0.0000006500000000 ] - [ -0.0013471100000000, -0.0000086300000000, 0.0000142500000000 ] - [ 0.0006311300000000, 0.0005509800000000, -0.0007690300000000 ] - [ 0.0006270100000000, -0.0005481900000000, 0.0007674800000000 ] - [ -0.0002768800000000, 0.0000000000000000, 0.0000114100000000 ] - [ 0.0001328600000000, 0.0000000000000000, -0.0002539300000000 ] - [ 0.0001351100000000, 0.0000000000000000, 0.0002543800000000 ] - [ -0.0013471100000000, 0.0000086300000000, 0.0000142500000000 ] - [ 0.0006311300000000, -0.0005509800000000, -0.0007690300000000 ] - [ 0.0006270100000000, 0.0005481900000000, 0.0007674800000000 ] - [ 0.0002493200000000, -0.0027327200000000, 0.0000883400000000 ] - [ 0.0002540600000000, 0.0027654400000000, -0.0000887700000000 ] - [ 0.0004358400000000, -0.0000028100000000, 0.0000003700000000 ] - [ -0.0000471200000000, 0.0000000000000000, 0.0000236200000000 ] - [ -0.0000512000000000, 0.0000000000000000, -0.0000242100000000 ] - [ 0.0001282900000000, 0.0000000000000000, -0.0000000200000000 ] - [ 0.0002493200000000, 0.0027327200000000, 0.0000883400000000 ] - [ 0.0002540600000000, -0.0027654400000000, -0.0000887700000000 ] - [ 0.0004358400000000, 0.0000028100000000, 0.0000003700000000 ] - [ -0.0004808100000000, -0.0000026500000000, -0.0000018300000000 ] - [ 0.0001914700000000, 0.0001667700000000, 0.0001125800000000 ] - [ 0.0001901400000000, -0.0001653600000000, -0.0001123700000000 ] - [ -0.0001302700000000, 0.0000000000000000, -0.0000011300000000 ] - [ 0.0000641700000000, 0.0000000000000000, 0.0000239500000000 ] - [ 0.0000640900000000, 0.0000000000000000, -0.0000241400000000 ] - [ -0.0004808100000000, 0.0000026500000000, -0.0000018300000000 ] - [ 0.0001914700000000, -0.0001667700000000, 0.0001125800000000 ] - [ 0.0001901400000000, 0.0001653600000000, -0.0001123700000000 ] - [ -0.0000371500000000, 0.0000000000000000, -0.0000005100000000 ] - [ 0.0002276500000000, 0.0000000000000000, -0.0000044600000000 ] - [ 0.0002256500000000, 0.0000000000000000, 0.0000052500000000 ] - [ -0.0001365400000000, -0.0000001500000000, 0.0000000700000000 ] - [ 0.0000691000000000, 0.0000429700000000, -0.0000081900000000 ] - [ 0.0000690300000000, -0.0000424800000000, 0.0000081400000000 ] - [ -0.0001365400000000, 0.0000001500000000, 0.0000000700000000 ] - [ 0.0000691000000000, -0.0000429700000000, -0.0000081900000000 ] - [ 0.0000690300000000, 0.0000424800000000, 0.0000081400000000 ] - [ 0.0001621400000000, 0.0000000000000000, 0.0018739500000000 ] - [ 0.0001657400000000, 0.0000000000000000, -0.0018957600000000 ] - [ 0.0003816200000000, 0.0000000000000000, 0.0000017500000000 ] - [ -0.0000655500000000, -0.0001150100000000, -0.0000314800000000 ] - [ -0.0000671700000000, 0.0001169300000000, 0.0000322200000000 ] - [ 0.0001195900000000, 0.0000001900000000, 0.0000000400000000 ] - [ -0.0000655500000000, 0.0001150100000000, -0.0000314800000000 ] - [ -0.0000671700000000, -0.0001169300000000, 0.0000322200000000 ] - [ 0.0001195900000000, -0.0000001900000000, 0.0000000400000000 ] - [ 0.0001398500000000, 0.0004640700000000, 0.0006924400000000 ] - [ 0.0001430000000000, -0.0004691500000000, -0.0006845000000000 ] - [ -0.0003358800000000, 0.0000004800000000, 0.0000087100000000 ] - [ 0.0000483000000000, 0.0000000000000000, 0.0000252400000000 ] - [ 0.0000498100000000, 0.0000000000000000, -0.0000104200000000 ] - [ -0.0001256600000000, 0.0000000000000000, 0.0000071400000000 ] - [ 0.0001398500000000, -0.0004640700000000, 0.0006924400000000 ] - [ 0.0001430000000000, 0.0004691500000000, -0.0006845000000000 ] - [ -0.0003358800000000, -0.0000004800000000, 0.0000087100000000 ] - [ 0.0102153100000000, 0.0000000000000000, 0.0036608200000000 ] - [ 0.0113304700000000, 0.0000000000000000, -0.0036473700000000 ] - [ -0.0107810600000000, 0.0000000000000000, 0.0000187300000000 ] - [ 0.0001700300000000, -0.0000520900000000, -0.0001002900000000 ] - [ 0.0001735300000000, 0.0000501600000000, 0.0001173000000000 ] - [ -0.0003848900000000, -0.0000010200000000, 0.0000074400000000 ] - [ 0.0001700300000000, 0.0000520900000000, -0.0001002900000000 ] - [ 0.0001735300000000, -0.0000501600000000, 0.0001173000000000 ] - [ -0.0003848900000000, 0.0000010200000000, 0.0000074400000000 ] - [ 0.0038484300000000, 0.0000000000000000, -0.0000225600000000 ] - [ -0.0011220100000000, 0.0000000000000000, -0.0006761600000000 ] - [ -0.0011139200000000, 0.0000000000000000, 0.0006531600000000 ] - [ 0.0002695800000000, 0.0000001900000000, -0.0000046000000000 ] - [ -0.0001454900000000, -0.0000791200000000, -0.0000836500000000 ] - [ -0.0001457000000000, 0.0000784900000000, 0.0000689600000000 ] - [ 0.0002695800000000, -0.0000001900000000, -0.0000046000000000 ] - [ -0.0001454900000000, 0.0000791200000000, -0.0000836500000000 ] - [ -0.0001457000000000, -0.0000784900000000, 0.0000689600000000 ] - [ 0.0003643400000000, 0.0000000000000000, 0.0032011300000000 ] - [ 0.0003676900000000, 0.0000000000000000, -0.0032528500000000 ] - [ -0.0003660900000000, 0.0000000000000000, -0.0000044000000000 ] - [ 0.0000657100000000, 0.0001812800000000, -0.0000389900000000 ] - [ 0.0000669000000000, -0.0001837100000000, 0.0000250000000000 ] - [ -0.0001374200000000, -0.0000002400000000, -0.0000072200000000 ] - [ 0.0000657100000000, -0.0001812800000000, -0.0000389900000000 ] - [ 0.0000669000000000, 0.0001837100000000, 0.0000250000000000 ] - [ -0.0001374200000000, 0.0000002400000000, -0.0000072200000000 ] - [ 0.0036882300000000, 0.0000000000000000, 0.0000202400000000 ] - [ -0.0005617000000000, 0.0000000000000000, 0.0006182800000000 ] - [ -0.0005533500000000, 0.0000000000000000, -0.0006038200000000 ] - [ 0.0002076200000000, 0.0000005300000000, 0.0000064000000000 ] - [ -0.0001062000000000, -0.0001226200000000, 0.0000380600000000 ] - [ -0.0001065200000000, 0.0001212600000000, -0.0000227400000000 ] - [ 0.0002076200000000, -0.0000005300000000, 0.0000064000000000 ] - [ -0.0001062000000000, 0.0001226200000000, 0.0000380600000000 ] - [ -0.0001065200000000, -0.0001212600000000, -0.0000227400000000 ] - [ 0.0003718100000000, 0.0000020300000000, 0.0000030400000000 ] - [ -0.0002217300000000, -0.0001120100000000, 0.0001923600000000 ] - [ -0.0002211700000000, 0.0001111900000000, -0.0001770300000000 ] - [ 0.0001966600000000, 0.0000000000000000, 0.0000047300000000 ] - [ -0.0000989600000000, 0.0000000000000000, 0.0000653000000000 ] - [ -0.0000992000000000, 0.0000000000000000, -0.0000509100000000 ] - [ 0.0003718100000000, -0.0000020300000000, 0.0000030400000000 ] - [ -0.0002217300000000, 0.0001120100000000, 0.0001923600000000 ] - [ -0.0002211700000000, -0.0001111900000000, -0.0001770300000000 ] - [ 0.0002009500000000, 0.0004384100000000, -0.0001101500000000 ] - [ 0.0002024000000000, -0.0004450500000000, 0.0000970000000000 ] - [ -0.0005088800000000, 0.0000003500000000, -0.0000075300000000 ] - [ 0.0000851400000000, 0.0000000000000000, 0.0000714600000000 ] - [ 0.0000881900000000, 0.0000000000000000, -0.0000892700000000 ] - [ -0.0001844900000000, 0.0000000000000000, -0.0000078000000000 ] - [ 0.0002009500000000, -0.0004384100000000, -0.0001101500000000 ] - [ 0.0002024000000000, 0.0004450500000000, 0.0000970000000000 ] - [ -0.0005088800000000, -0.0000003500000000, -0.0000075300000000 ] - [ 0.0026516200000000, -0.0000253600000000, -0.0000117100000000 ] - [ -0.0011712100000000, -0.0011110900000000, 0.0003448900000000 ] - [ -0.0011611700000000, 0.0011057900000000, -0.0003583200000000 ] - [ 0.0002238300000000, 0.0000000000000000, -0.0000131400000000 ] - [ -0.0000799200000000, 0.0000000000000000, 0.0000605500000000 ] - [ -0.0000817100000000, 0.0000000000000000, -0.0000764500000000 ] - [ 0.0026516200000000, 0.0000253600000000, -0.0000117100000000 ] - [ -0.0011712100000000, 0.0011110900000000, 0.0003448900000000 ] - [ -0.0011611700000000, -0.0011057900000000, -0.0003583200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0518293900000000 ] - [ 0.0006642800000000, 0.0000000000000000, 0.0000775900000000 ] - [ -0.0006642800000000, 0.0000000000000000, 0.0000775900000000 ] - [ 0.0000000000000000, -0.0006982700000000, 0.0000787200000000 ] - [ -0.0001710200000000, 0.0001688500000000, -0.0002932400000000 ] - [ 0.0001710200000000, 0.0001688500000000, -0.0002932400000000 ] - [ 0.0000000000000000, 0.0006982700000000, 0.0000787200000000 ] - [ -0.0001710200000000, -0.0001688500000000, -0.0002932400000000 ] - [ 0.0001710200000000, -0.0001688500000000, -0.0002932400000000 ] - [ -0.0116151800000000, 0.0000000000000000, 0.0021205900000000 ] - [ 0.0116151800000000, 0.0000000000000000, 0.0021205900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008008300000000 ] - [ 0.0002833900000000, 0.0007703100000000, -0.0001136200000000 ] - [ -0.0002833900000000, 0.0007703100000000, -0.0001136200000000 ] - [ 0.0000000000000000, 0.0002541900000000, -0.0000708800000000 ] - [ 0.0002833900000000, -0.0007703100000000, -0.0001136200000000 ] - [ -0.0002833900000000, -0.0007703100000000, -0.0001136200000000 ] - [ 0.0000000000000000, -0.0002541900000000, -0.0000708800000000 ] - [ 0.0003093500000000, 0.0003099300000000, 0.0017021500000000 ] - [ -0.0003093500000000, 0.0003099300000000, 0.0017021500000000 ] - [ 0.0000000000000000, 0.0002392500000000, 0.0005456900000000 ] - [ 0.0002390600000000, 0.0000000000000000, 0.0005455000000000 ] - [ -0.0002390600000000, 0.0000000000000000, 0.0005455000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003358400000000 ] - [ 0.0003093500000000, -0.0003099300000000, 0.0017021500000000 ] - [ -0.0003093500000000, -0.0003099300000000, 0.0017021500000000 ] - [ 0.0000000000000000, -0.0002392500000000, 0.0005456900000000 ] - [ 0.0000000000000000, -0.0115447800000000, 0.0021110300000000 ] - [ -0.0007655900000000, 0.0002818300000000, -0.0001081000000000 ] - [ 0.0007655900000000, 0.0002818300000000, -0.0001081000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008122100000000 ] - [ -0.0002533300000000, 0.0000000000000000, -0.0000684200000000 ] - [ 0.0002533300000000, 0.0000000000000000, -0.0000684200000000 ] - [ 0.0000000000000000, 0.0115447800000000, 0.0021110300000000 ] - [ -0.0007655900000000, -0.0002818300000000, -0.0001081000000000 ] - [ 0.0007655900000000, -0.0002818300000000, -0.0001081000000000 ] - [ 0.0001883000000000, 0.0001832500000000, -0.0004032500000000 ] - [ -0.0001883000000000, 0.0001832500000000, -0.0004032500000000 ] - [ 0.0000000000000000, 0.0000965900000000, -0.0000816900000000 ] - [ 0.0000988000000000, 0.0000000000000000, -0.0000818300000000 ] - [ -0.0000988000000000, 0.0000000000000000, -0.0000818300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000421900000000 ] - [ 0.0001883000000000, -0.0001832500000000, -0.0004032500000000 ] - [ -0.0001883000000000, -0.0001832500000000, -0.0004032500000000 ] - [ 0.0000000000000000, -0.0000965900000000, -0.0000816900000000 ] - [ 0.0000000000000000, 0.0033701000000000, 0.0004350100000000 ] - [ 0.0000812800000000, 0.0001375100000000, -0.0000033300000000 ] - [ -0.0000812800000000, 0.0001375100000000, -0.0000033300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000041400000000 ] - [ -0.0000148700000000, 0.0000000000000000, 0.0000057500000000 ] - [ 0.0000148700000000, 0.0000000000000000, 0.0000057500000000 ] - [ 0.0000000000000000, -0.0033701000000000, 0.0004350100000000 ] - [ 0.0000812800000000, -0.0001375100000000, -0.0000033300000000 ] - [ -0.0000812800000000, -0.0001375100000000, -0.0000033300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067065000000000 ] - [ 0.0000096800000000, 0.0000000000000000, 0.0000808400000000 ] - [ -0.0000096800000000, 0.0000000000000000, 0.0000808400000000 ] - [ 0.0000000000000000, -0.0000096600000000, 0.0000795600000000 ] - [ -0.0000315900000000, 0.0000317600000000, 0.0000507600000000 ] - [ 0.0000315900000000, 0.0000317600000000, 0.0000507600000000 ] - [ 0.0000000000000000, 0.0000096600000000, 0.0000795600000000 ] - [ -0.0000315900000000, -0.0000317600000000, 0.0000507600000000 ] - [ 0.0000315900000000, -0.0000317600000000, 0.0000507600000000 ] - [ 0.0033449500000000, 0.0000000000000000, 0.0004274100000000 ] - [ -0.0033449500000000, 0.0000000000000000, 0.0004274100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000021400000000 ] - [ 0.0001370000000000, -0.0000800700000000, -0.0000024200000000 ] - [ -0.0001370000000000, -0.0000800700000000, -0.0000024200000000 ] - [ 0.0000000000000000, 0.0000150400000000, 0.0000062200000000 ] - [ 0.0001370000000000, 0.0000800700000000, -0.0000024200000000 ] - [ -0.0001370000000000, 0.0000800700000000, -0.0000024200000000 ] - [ 0.0000000000000000, -0.0000150400000000, 0.0000062200000000 ] - [ 0.0007331700000000, -0.0011468200000000, -0.0006652100000000 ] - [ -0.0007331700000000, -0.0011468200000000, -0.0006652100000000 ] - [ 0.0000000000000000, -0.0003985300000000, -0.0002161800000000 ] - [ -0.0000646600000000, 0.0000000000000000, -0.0001849600000000 ] - [ 0.0000646600000000, 0.0000000000000000, -0.0001849600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001052600000000 ] - [ 0.0007331700000000, 0.0011468200000000, -0.0006652100000000 ] - [ -0.0007331700000000, 0.0011468200000000, -0.0006652100000000 ] - [ 0.0000000000000000, 0.0003985300000000, -0.0002161800000000 ] - [ 0.0006081000000000, 0.0000000000000000, 0.0031387000000000 ] - [ -0.0006081000000000, 0.0000000000000000, 0.0031387000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004158100000000 ] - [ -0.0001935200000000, 0.0000314700000000, 0.0001468800000000 ] - [ 0.0001935200000000, 0.0000314700000000, 0.0001468800000000 ] - [ 0.0000000000000000, -0.0000608600000000, 0.0001082200000000 ] - [ -0.0001935200000000, -0.0000314700000000, 0.0001468800000000 ] - [ 0.0001935200000000, -0.0000314700000000, 0.0001468800000000 ] - [ 0.0000000000000000, 0.0000608600000000, 0.0001082200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0151655100000000 ] - [ -0.0012838800000000, 0.0000000000000000, -0.0001048100000000 ] - [ 0.0012838800000000, 0.0000000000000000, -0.0001048100000000 ] - [ 0.0000000000000000, -0.0000316900000000, 0.0002801400000000 ] - [ -0.0000351900000000, -0.0001914200000000, 0.0001153600000000 ] - [ 0.0000351900000000, -0.0001914200000000, 0.0001153600000000 ] - [ 0.0000000000000000, 0.0000316900000000, 0.0002801400000000 ] - [ -0.0000351900000000, 0.0001914200000000, 0.0001153600000000 ] - [ 0.0000351900000000, 0.0001914200000000, 0.0001153600000000 ] - [ 0.0004654300000000, 0.0000000000000000, -0.0017553200000000 ] - [ -0.0004654300000000, 0.0000000000000000, -0.0017553200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003943400000000 ] - [ -0.0001000800000000, -0.0000508300000000, -0.0001830800000000 ] - [ 0.0001000800000000, -0.0000508300000000, -0.0001830800000000 ] - [ 0.0000000000000000, -0.0000681500000000, -0.0000723400000000 ] - [ -0.0001000800000000, 0.0000508300000000, -0.0001830800000000 ] - [ 0.0001000800000000, 0.0000508300000000, -0.0001830800000000 ] - [ 0.0000000000000000, 0.0000681500000000, -0.0000723400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0141307800000000 ] - [ 0.0000291400000000, 0.0000000000000000, 0.0002924500000000 ] - [ -0.0000291400000000, 0.0000000000000000, 0.0002924500000000 ] - [ 0.0000000000000000, 0.0012661300000000, -0.0000905600000000 ] - [ 0.0001901800000000, 0.0000348800000000, 0.0001290800000000 ] - [ -0.0001901800000000, 0.0000348800000000, 0.0001290800000000 ] - [ 0.0000000000000000, -0.0012661300000000, -0.0000905600000000 ] - [ 0.0001901800000000, -0.0000348800000000, 0.0001290800000000 ] - [ -0.0001901800000000, -0.0000348800000000, 0.0001290800000000 ] - [ 0.0000000000000000, 0.0004662200000000, -0.0017476300000000 ] - [ 0.0000502400000000, -0.0000996700000000, -0.0001698200000000 ] - [ -0.0000502400000000, -0.0000996700000000, -0.0001698200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003808900000000 ] - [ 0.0000677800000000, 0.0000000000000000, -0.0000577600000000 ] - [ -0.0000677800000000, 0.0000000000000000, -0.0000577600000000 ] - [ 0.0000000000000000, -0.0004662200000000, -0.0017476300000000 ] - [ 0.0000502400000000, 0.0000996700000000, -0.0001698200000000 ] - [ -0.0000502400000000, 0.0000996700000000, -0.0001698200000000 ] - [ -0.0011391200000000, 0.0007248600000000, -0.0006799300000000 ] - [ 0.0011391200000000, 0.0007248600000000, -0.0006799300000000 ] - [ 0.0000000000000000, -0.0000642500000000, -0.0002007700000000 ] - [ -0.0003960700000000, 0.0000000000000000, -0.0002314600000000 ] - [ 0.0003960700000000, 0.0000000000000000, -0.0002314600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001203900000000 ] - [ -0.0011391200000000, -0.0007248600000000, -0.0006799300000000 ] - [ 0.0011391200000000, -0.0007248600000000, -0.0006799300000000 ] - [ 0.0000000000000000, 0.0000642500000000, -0.0002007700000000 ] - [ 0.0000000000000000, 0.0005652600000000, 0.0031268500000000 ] - [ -0.0000293000000000, -0.0001899200000000, 0.0001296400000000 ] - [ 0.0000293000000000, -0.0001899200000000, 0.0001296400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004402100000000 ] - [ 0.0000615800000000, 0.0000000000000000, 0.0000921600000000 ] - [ -0.0000615800000000, 0.0000000000000000, 0.0000921600000000 ] - [ 0.0000000000000000, -0.0005652600000000, 0.0031268500000000 ] - [ -0.0000293000000000, 0.0001899200000000, 0.0001296400000000 ] - [ 0.0000293000000000, 0.0001899200000000, 0.0001296400000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002531200000000, -0.0027563600000000, 0.0001859000000000 ] - [ 0.0004347900000000, -0.0000001500000000, 0.0000000100000000 ] - [ 0.0002480500000000, 0.0027416000000000, -0.0001855200000000 ] - [ 0.0002531200000000, 0.0027563600000000, 0.0001859000000000 ] - [ 0.0004347900000000, 0.0000001500000000, 0.0000000100000000 ] - [ 0.0002480500000000, -0.0027416000000000, -0.0001855200000000 ] - [ -0.0000501500000000, 0.0000000000000000, 0.0000977800000000 ] - [ 0.0001279700000000, 0.0000000000000000, -0.0000000100000000 ] - [ -0.0000503000000000, 0.0000000000000000, -0.0000974300000000 ] - [ -0.0004811500000000, 0.0000019400000000, -0.0000028000000000 ] - [ 0.0001906300000000, -0.0001154500000000, 0.0000808500000000 ] - [ 0.0001900500000000, 0.0001156500000000, -0.0000811400000000 ] - [ -0.0004811500000000, -0.0000019400000000, -0.0000028000000000 ] - [ 0.0001906300000000, 0.0001154500000000, 0.0000808500000000 ] - [ 0.0001900500000000, -0.0001156500000000, -0.0000811400000000 ] - [ -0.0001298300000000, 0.0000000000000000, 0.0000003700000000 ] - [ 0.0000645400000000, 0.0000000000000000, -0.0000146700000000 ] - [ 0.0000646000000000, 0.0000000000000000, 0.0000148800000000 ] - [ -0.0000412800000000, 0.0000000000000000, -0.0000000500000000 ] - [ 0.0002276300000000, 0.0000000000000000, -0.0000096100000000 ] - [ 0.0002265500000000, 0.0000000000000000, 0.0000099000000000 ] - [ -0.0001379800000000, -0.0000004700000000, -0.0000003800000000 ] - [ 0.0000672000000000, 0.0000429100000000, 0.0000316000000000 ] - [ 0.0000671400000000, -0.0000428800000000, -0.0000316500000000 ] - [ -0.0001379800000000, 0.0000004700000000, -0.0000003800000000 ] - [ 0.0000672000000000, -0.0000429100000000, 0.0000316000000000 ] - [ 0.0000671400000000, 0.0000428800000000, -0.0000316500000000 ] - [ 0.0001654500000000, 0.0000000000000000, -0.0033667100000000 ] - [ 0.0003819600000000, 0.0000000000000000, -0.0000001400000000 ] - [ 0.0001623900000000, 0.0000000000000000, 0.0033494300000000 ] - [ -0.0000660200000000, 0.0001658400000000, -0.0001371100000000 ] - [ 0.0001199000000000, -0.0000000600000000, 0.0000000900000000 ] - [ -0.0000656100000000, -0.0001655100000000, 0.0001363900000000 ] - [ -0.0000660200000000, -0.0001658400000000, -0.0001371100000000 ] - [ 0.0001199000000000, 0.0000000600000000, 0.0000000900000000 ] - [ -0.0000656100000000, 0.0001655100000000, 0.0001363900000000 ] - [ -0.0272627400000000, 0.0000000000000000, 0.0000213500000000 ] - [ 0.0004608200000000, 0.0000000000000000, 0.0000266900000000 ] - [ 0.0004632500000000, 0.0000000000000000, -0.0000232300000000 ] - [ -0.0000204400000000, -0.0000006100000000, 0.0000000000000000 ] - [ 0.0000330200000000, 0.0000374200000000, -0.0000045400000000 ] - [ 0.0000328900000000, -0.0000375500000000, 0.0000045200000000 ] - [ -0.0000204400000000, 0.0000006100000000, 0.0000000000000000 ] - [ 0.0000330200000000, -0.0000374200000000, -0.0000045400000000 ] - [ 0.0000328900000000, 0.0000375500000000, 0.0000045200000000 ] - [ 0.0002544400000000, 0.0000000000000000, 0.0006465300000000 ] - [ 0.0000903100000000, 0.0000000000000000, 0.0000001400000000 ] - [ 0.0002511200000000, 0.0000000000000000, -0.0006413600000000 ] - [ -0.0000205600000000, 0.0000333000000000, 0.0000128000000000 ] - [ 0.0000338200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000203600000000, -0.0000331200000000, -0.0000128200000000 ] - [ -0.0000205600000000, -0.0000333000000000, 0.0000128000000000 ] - [ 0.0000338200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000203600000000, 0.0000331200000000, -0.0000128200000000 ] - [ -0.0000258200000000, -0.0000320000000000, -0.0000103900000000 ] - [ 0.0000469100000000, 0.0000001200000000, -0.0000000600000000 ] - [ -0.0000254900000000, 0.0000320200000000, 0.0000103300000000 ] - [ -0.0000258200000000, 0.0000320000000000, -0.0000103900000000 ] - [ 0.0000469100000000, -0.0000001200000000, -0.0000000600000000 ] - [ -0.0000254900000000, -0.0000320200000000, 0.0000103300000000 ] - [ -0.0000126700000000, 0.0000000000000000, -0.0000057900000000 ] - [ 0.0000260600000000, 0.0000000000000000, 0.0000001000000000 ] - [ -0.0000125600000000, 0.0000000000000000, 0.0000055800000000 ] - [ -0.0002009300000000, 0.0000008100000000, 0.0000006400000000 ] - [ 0.0000676700000000, -0.0000332400000000, -0.0000190600000000 ] - [ 0.0000675100000000, 0.0000333600000000, 0.0000191500000000 ] - [ -0.0002009300000000, -0.0000008100000000, 0.0000006400000000 ] - [ 0.0000676700000000, 0.0000332400000000, -0.0000190600000000 ] - [ 0.0000675100000000, -0.0000333600000000, 0.0000191500000000 ] - [ -0.0000519500000000, 0.0000000000000000, -0.0000000800000000 ] - [ 0.0000237900000000, 0.0000000000000000, -0.0000003600000000 ] - [ 0.0000235300000000, 0.0000000000000000, 0.0000002600000000 ] - [ 0.0002551600000000, 0.0000000000000000, -0.0000008300000000 ] - [ -0.0001377200000000, 0.0000000000000000, -0.0000307700000000 ] - [ -0.0001374200000000, 0.0000000000000000, 0.0000463300000000 ] - [ 0.0000700600000000, 0.0000003700000000, 0.0000076600000000 ] - [ -0.0000377700000000, -0.0000339900000000, -0.0000097300000000 ] - [ -0.0000374800000000, 0.0000340100000000, 0.0000246500000000 ] - [ 0.0000700600000000, -0.0000003700000000, 0.0000076600000000 ] - [ -0.0000377700000000, 0.0000339900000000, -0.0000097300000000 ] - [ -0.0000374800000000, -0.0000340100000000, 0.0000246500000000 ] - [ 0.0005653600000000, 0.0000225700000000, 0.0000075800000000 ] - [ -0.0002421600000000, 0.0002392600000000, -0.0000441200000000 ] - [ -0.0002433500000000, -0.0002399700000000, 0.0000590600000000 ] - [ 0.0005653600000000, -0.0000225700000000, 0.0000075800000000 ] - [ -0.0002421600000000, -0.0002392600000000, -0.0000441200000000 ] - [ -0.0002433500000000, 0.0002399700000000, 0.0000590600000000 ] - [ 0.0001501700000000, 0.0000000000000000, 0.0000073700000000 ] - [ -0.0000802100000000, 0.0000000000000000, 0.0000087700000000 ] - [ -0.0000798500000000, 0.0000000000000000, 0.0000060100000000 ] - [ 0.0000447100000000, 0.0001422200000000, -0.0001350400000000 ] - [ -0.0001188200000000, 0.0000000000000000, -0.0000072900000000 ] - [ 0.0000445100000000, -0.0001413700000000, 0.0001192900000000 ] - [ 0.0000447100000000, -0.0001422200000000, -0.0001350400000000 ] - [ -0.0001188200000000, 0.0000000000000000, -0.0000072900000000 ] - [ 0.0000445100000000, 0.0001413700000000, 0.0001192900000000 ] - [ 0.0000271700000000, 0.0000000000000000, -0.0000732500000000 ] - [ -0.0000599200000000, 0.0000000000000000, -0.0000074400000000 ] - [ 0.0000269200000000, 0.0000000000000000, 0.0000579400000000 ] - [ 0.0000854100000000, -0.0000004000000000, -0.0000066200000000 ] - [ -0.0000521100000000, 0.0000296900000000, -0.0000298500000000 ] - [ -0.0000518300000000, -0.0000295200000000, 0.0000150200000000 ] - [ 0.0000854100000000, 0.0000004000000000, -0.0000066200000000 ] - [ -0.0000521100000000, -0.0000296900000000, -0.0000298500000000 ] - [ -0.0000518300000000, 0.0000295200000000, 0.0000150200000000 ] - [ 0.0000439200000000, 0.0000000000000000, -0.0000075300000000 ] - [ -0.0000246300000000, 0.0000000000000000, -0.0000081400000000 ] - [ -0.0000247600000000, 0.0000000000000000, -0.0000068000000000 ] - [ 0.0000260500000000, 0.0001801300000000, 0.0001472000000000 ] - [ -0.0000810900000000, -0.0000002400000000, 0.0000074800000000 ] - [ 0.0000260300000000, -0.0001795100000000, -0.0001313300000000 ] - [ 0.0000260500000000, -0.0001801300000000, 0.0001472000000000 ] - [ -0.0000810900000000, 0.0000002400000000, 0.0000074800000000 ] - [ 0.0000260300000000, 0.0001795100000000, -0.0001313300000000 ] - [ 0.0000206600000000, 0.0000000000000000, 0.0000421700000000 ] - [ -0.0000423900000000, 0.0000000000000000, 0.0000071500000000 ] - [ 0.0000205700000000, 0.0000000000000000, -0.0000268700000000 ] - [ 0.0000804000000000, 0.0000000000000000, 0.0007451100000000 ] - [ -0.0001524600000000, 0.0000000000000000, 0.0000070900000000 ] - [ 0.0000795300000000, 0.0000000000000000, -0.0007267300000000 ] - [ 0.0000298700000000, -0.0000279700000000, 0.0000497900000000 ] - [ -0.0000584100000000, 0.0000001400000000, 0.0000075500000000 ] - [ 0.0000298400000000, 0.0000279100000000, -0.0000347000000000 ] - [ 0.0000298700000000, 0.0000279700000000, 0.0000497900000000 ] - [ -0.0000584100000000, -0.0000001400000000, 0.0000075500000000 ] - [ 0.0000298400000000, -0.0000279100000000, -0.0000347000000000 ] - [ 0.0004549200000000, 0.0000000000000000, 0.0000010000000000 ] - [ -0.0001170500000000, 0.0000000000000000, 0.0002079000000000 ] - [ -0.0001181500000000, 0.0000000000000000, -0.0002236900000000 ] - [ 0.0001000400000000, -0.0000000600000000, -0.0000071800000000 ] - [ -0.0000540200000000, -0.0000245400000000, -0.0000104500000000 ] - [ -0.0000539700000000, 0.0000246400000000, -0.0000043300000000 ] - [ 0.0001000400000000, 0.0000000600000000, -0.0000071800000000 ] - [ -0.0000540200000000, 0.0000245400000000, -0.0000104500000000 ] - [ -0.0000539700000000, -0.0000246400000000, -0.0000043300000000 ] - [ 0.0116523800000000, 0.0000000000000000, 0.0008306900000000 ] - [ -0.0001914900000000, 0.0000000000000000, -0.0000074300000000 ] - [ 0.0111231700000000, 0.0000000000000000, -0.0008601600000000 ] - [ 0.0001193700000000, -0.0001926000000000, 0.0000013800000000 ] - [ -0.0001036900000000, 0.0000002500000000, -0.0000075300000000 ] - [ 0.0001191600000000, 0.0001920200000000, -0.0000160700000000 ] - [ 0.0001193700000000, 0.0001926000000000, 0.0000013800000000 ] - [ -0.0001036900000000, -0.0000002500000000, -0.0000075300000000 ] - [ 0.0001191600000000, -0.0001920200000000, -0.0000160700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000847500000000, 0.0000922100000000, -0.0004031100000000 ] - [ 0.0000000000000000, 0.0000236200000000, -0.0000813100000000 ] - [ -0.0000847500000000, 0.0000922100000000, -0.0004031100000000 ] - [ 0.0000847500000000, -0.0000922100000000, -0.0004031100000000 ] - [ 0.0000000000000000, -0.0000236200000000, -0.0000813100000000 ] - [ -0.0000847500000000, -0.0000922100000000, -0.0004031100000000 ] - [ 0.0000241100000000, 0.0000000000000000, -0.0000813100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000412600000000 ] - [ -0.0000241100000000, 0.0000000000000000, -0.0000813100000000 ] - [ 0.0000000000000000, -0.0018955600000000, 0.0004299100000000 ] - [ 0.0001135800000000, 0.0000325900000000, -0.0000021400000000 ] - [ -0.0001135800000000, 0.0000325900000000, -0.0000021400000000 ] - [ 0.0000000000000000, 0.0018955600000000, 0.0004299100000000 ] - [ 0.0001135800000000, -0.0000325900000000, -0.0000021400000000 ] - [ -0.0001135800000000, -0.0000325900000000, -0.0000021400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000027200000000 ] - [ 0.0000243900000000, 0.0000000000000000, 0.0000055100000000 ] - [ -0.0000243900000000, 0.0000000000000000, 0.0000055100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067024700000000 ] - [ 0.0000051800000000, 0.0000000000000000, 0.0000802700000000 ] - [ -0.0000051800000000, 0.0000000000000000, 0.0000802700000000 ] - [ 0.0000000000000000, -0.0000044500000000, 0.0000831500000000 ] - [ 0.0000078500000000, -0.0000082800000000, 0.0000495900000000 ] - [ -0.0000078500000000, -0.0000082800000000, 0.0000495900000000 ] - [ 0.0000000000000000, 0.0000044500000000, 0.0000831500000000 ] - [ 0.0000078500000000, 0.0000082800000000, 0.0000495900000000 ] - [ -0.0000078500000000, 0.0000082800000000, 0.0000495900000000 ] - [ -0.0018744200000000, 0.0000000000000000, 0.0004327900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000030600000000 ] - [ 0.0018744200000000, 0.0000000000000000, 0.0004327900000000 ] - [ 0.0000322500000000, -0.0001120700000000, -0.0000003600000000 ] - [ 0.0000000000000000, -0.0000236500000000, 0.0000064400000000 ] - [ -0.0000322500000000, -0.0001120700000000, -0.0000003600000000 ] - [ 0.0000322500000000, 0.0001120700000000, -0.0000003600000000 ] - [ 0.0000000000000000, 0.0000236500000000, 0.0000064400000000 ] - [ -0.0000322500000000, 0.0001120700000000, -0.0000003600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097725300000000 ] - [ -0.0000259600000000, 0.0000000000000000, 0.0000326400000000 ] - [ 0.0000259600000000, 0.0000000000000000, 0.0000326400000000 ] - [ 0.0000000000000000, 0.0000237500000000, 0.0000326000000000 ] - [ 0.0000042700000000, -0.0000046000000000, -0.0000078700000000 ] - [ -0.0000042700000000, -0.0000046000000000, -0.0000078700000000 ] - [ 0.0000000000000000, -0.0000237500000000, 0.0000326000000000 ] - [ 0.0000042700000000, 0.0000046000000000, -0.0000078700000000 ] - [ -0.0000042700000000, 0.0000046000000000, -0.0000078700000000 ] - [ 0.0006475900000000, 0.0000000000000000, 0.0002512600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000000600000000 ] - [ -0.0006475900000000, 0.0000000000000000, 0.0002512600000000 ] - [ 0.0000130800000000, 0.0000192400000000, -0.0000001200000000 ] - [ 0.0000000000000000, 0.0000003300000000, 0.0000000900000000 ] - [ -0.0000130800000000, 0.0000192400000000, -0.0000001200000000 ] - [ 0.0000130800000000, -0.0000192400000000, -0.0000001200000000 ] - [ 0.0000000000000000, -0.0000003300000000, 0.0000000900000000 ] - [ -0.0000130800000000, -0.0000192400000000, -0.0000001200000000 ] - [ 0.0000104000000000, 0.0000100400000000, 0.0000460800000000 ] - [ 0.0000000000000000, 0.0000057600000000, 0.0000104400000000 ] - [ -0.0000104000000000, 0.0000100400000000, 0.0000460800000000 ] - [ 0.0000104000000000, -0.0000100400000000, 0.0000460800000000 ] - [ 0.0000000000000000, -0.0000057600000000, 0.0000104400000000 ] - [ -0.0000104000000000, -0.0000100400000000, 0.0000460800000000 ] - [ 0.0000057200000000, 0.0000000000000000, 0.0000102600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000062400000000 ] - [ -0.0000057200000000, 0.0000000000000000, 0.0000102600000000 ] - [ 0.0000000000000000, 0.0006400100000000, 0.0002485400000000 ] - [ -0.0000188100000000, 0.0000127500000000, 0.0000000500000000 ] - [ 0.0000188100000000, 0.0000127500000000, 0.0000000500000000 ] - [ 0.0000000000000000, -0.0006400100000000, 0.0002485400000000 ] - [ -0.0000188100000000, -0.0000127500000000, 0.0000000500000000 ] - [ 0.0000188100000000, -0.0000127500000000, 0.0000000500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000003300000000 ] - [ -0.0000001100000000, 0.0000000000000000, -0.0000001900000000 ] - [ 0.0000001100000000, 0.0000000000000000, -0.0000001900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008541300000000 ] - [ -0.0000167000000000, 0.0000000000000000, 0.0000353800000000 ] - [ 0.0000167000000000, 0.0000000000000000, 0.0000353800000000 ] - [ 0.0000000000000000, -0.0001465700000000, 0.0000326500000000 ] - [ -0.0000253300000000, -0.0000126000000000, -0.0000102300000000 ] - [ 0.0000253300000000, -0.0000126000000000, -0.0000102300000000 ] - [ 0.0000000000000000, 0.0001465700000000, 0.0000326500000000 ] - [ -0.0000253300000000, 0.0000126000000000, -0.0000102300000000 ] - [ 0.0000253300000000, 0.0000126000000000, -0.0000102300000000 ] - [ 0.0000000000000000, -0.0001392900000000, 0.0000379300000000 ] - [ 0.0000048900000000, -0.0000273200000000, 0.0000392500000000 ] - [ -0.0000048900000000, -0.0000273200000000, 0.0000392500000000 ] - [ 0.0000000000000000, 0.0001392900000000, 0.0000379300000000 ] - [ 0.0000048900000000, 0.0000273200000000, 0.0000392500000000 ] - [ -0.0000048900000000, 0.0000273200000000, 0.0000392500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000584400000000 ] - [ -0.0000068900000000, 0.0000000000000000, 0.0000175100000000 ] - [ 0.0000068900000000, 0.0000000000000000, 0.0000175100000000 ] - [ -0.0001493400000000, 0.0001213500000000, 0.0000866400000000 ] - [ 0.0000000000000000, -0.0000035900000000, 0.0000195400000000 ] - [ 0.0001493400000000, 0.0001213500000000, 0.0000866400000000 ] - [ -0.0001493400000000, -0.0001213500000000, 0.0000866400000000 ] - [ 0.0000000000000000, 0.0000035900000000, 0.0000195400000000 ] - [ 0.0001493400000000, -0.0001213500000000, 0.0000866400000000 ] - [ -0.0000390500000000, 0.0000000000000000, 0.0000133600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000078000000000 ] - [ 0.0000390500000000, 0.0000000000000000, 0.0000133600000000 ] - [ 0.0000000000000000, 0.0001031400000000, -0.0003116000000000 ] - [ -0.0000046300000000, -0.0000088900000000, -0.0000331000000000 ] - [ 0.0000046300000000, -0.0000088900000000, -0.0000331000000000 ] - [ 0.0000000000000000, -0.0001031400000000, -0.0003116000000000 ] - [ -0.0000046300000000, 0.0000088900000000, -0.0000331000000000 ] - [ 0.0000046300000000, 0.0000088900000000, -0.0000331000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000486800000000 ] - [ -0.0000035900000000, 0.0000000000000000, -0.0000207500000000 ] - [ 0.0000035900000000, 0.0000000000000000, -0.0000207500000000 ] - [ 0.0001194200000000, -0.0001476700000000, 0.0001010100000000 ] - [ 0.0000000000000000, -0.0000388600000000, 0.0000298900000000 ] - [ -0.0001194200000000, -0.0001476700000000, 0.0001010100000000 ] - [ 0.0001194200000000, 0.0001476700000000, 0.0001010100000000 ] - [ 0.0000000000000000, 0.0000388600000000, 0.0000298900000000 ] - [ -0.0001194200000000, 0.0001476700000000, 0.0001010100000000 ] - [ -0.0000033900000000, 0.0000000000000000, 0.0000351600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000247100000000 ] - [ 0.0000033900000000, 0.0000000000000000, 0.0000351600000000 ] - [ 0.0001025500000000, 0.0000000000000000, -0.0002961700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000312300000000 ] - [ -0.0001025500000000, 0.0000000000000000, -0.0002961700000000 ] - [ -0.0000085700000000, 0.0000039900000000, -0.0000159200000000 ] - [ 0.0000000000000000, 0.0000035200000000, -0.0000059000000000 ] - [ 0.0000085700000000, 0.0000039900000000, -0.0000159200000000 ] - [ -0.0000085700000000, -0.0000039900000000, -0.0000159200000000 ] - [ 0.0000000000000000, -0.0000035200000000, -0.0000059000000000 ] - [ 0.0000085700000000, -0.0000039900000000, -0.0000159200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006298500000000 ] - [ 0.0001452500000000, 0.0000000000000000, 0.0000163300000000 ] - [ -0.0001452500000000, 0.0000000000000000, 0.0000163300000000 ] - [ 0.0000000000000000, 0.0000158700000000, 0.0000151400000000 ] - [ 0.0000126700000000, 0.0000251200000000, -0.0000285200000000 ] - [ -0.0000126700000000, 0.0000251200000000, -0.0000285200000000 ] - [ 0.0000000000000000, -0.0000158700000000, 0.0000151400000000 ] - [ 0.0000126700000000, -0.0000251200000000, -0.0000285200000000 ] - [ -0.0000126700000000, -0.0000251200000000, -0.0000285200000000 ] - [ -0.0001771500000000, 0.0000000000000000, 0.0000200800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000444500000000 ] - [ 0.0001771500000000, 0.0000000000000000, 0.0000200800000000 ] - [ -0.0000262400000000, -0.0000028300000000, 0.0000209100000000 ] - [ 0.0000000000000000, 0.0000064100000000, 0.0000015500000000 ] - [ 0.0000262400000000, -0.0000028300000000, 0.0000209100000000 ] - [ -0.0000262400000000, 0.0000028300000000, 0.0000209100000000 ] - [ 0.0000000000000000, -0.0000064100000000, 0.0000015500000000 ] - [ 0.0000262400000000, 0.0000028300000000, 0.0000209100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001396300000000, 0.0004400500000000, 0.0007271100000000 ] - [ -0.0003364000000000, -0.0000003800000000, -0.0000005900000000 ] - [ 0.0001411400000000, -0.0004433200000000, -0.0007311500000000 ] - [ 0.0001396300000000, -0.0004400500000000, 0.0007271100000000 ] - [ -0.0003364000000000, 0.0000003800000000, -0.0000005900000000 ] - [ 0.0001411400000000, 0.0004433200000000, -0.0007311500000000 ] - [ 0.0000481000000000, 0.0000000000000000, -0.0000644500000000 ] - [ -0.0001268000000000, 0.0000000000000000, -0.0000002500000000 ] - [ 0.0000486700000000, 0.0000000000000000, 0.0000651400000000 ] - [ 0.0026513600000000, 0.0000536300000000, -0.0000002300000000 ] - [ -0.0011626800000000, -0.0000530900000000, -0.0000303200000000 ] - [ -0.0011659800000000, 0.0000491100000000, 0.0000298200000000 ] - [ 0.0026513600000000, -0.0000536300000000, -0.0000002300000000 ] - [ -0.0011626800000000, 0.0000530900000000, -0.0000303200000000 ] - [ -0.0011659800000000, -0.0000491100000000, 0.0000298200000000 ] - [ 0.0002236800000000, 0.0000000000000000, 0.0000004100000000 ] - [ -0.0000806400000000, 0.0000000000000000, 0.0000615100000000 ] - [ -0.0000794400000000, 0.0000000000000000, -0.0000615500000000 ] - [ 0.0036869200000000, 0.0000000000000000, -0.0000289400000000 ] - [ -0.0005599200000000, 0.0000000000000000, -0.0000299300000000 ] - [ -0.0005587900000000, 0.0000000000000000, 0.0000313500000000 ] - [ 0.0002060700000000, 0.0000010500000000, -0.0000081800000000 ] - [ -0.0001073300000000, -0.0000785900000000, -0.0001899300000000 ] - [ -0.0001064600000000, 0.0000793800000000, 0.0001904400000000 ] - [ 0.0002060700000000, -0.0000010500000000, -0.0000081800000000 ] - [ -0.0001073300000000, 0.0000785900000000, -0.0001899300000000 ] - [ -0.0001064600000000, -0.0000793800000000, 0.0001904400000000 ] - [ 0.0003701400000000, 0.0000000000000000, -0.0004694600000000 ] - [ -0.0003610100000000, 0.0000000000000000, -0.0000003100000000 ] - [ 0.0003605000000000, 0.0000000000000000, 0.0004630700000000 ] - [ 0.0000667900000000, -0.0001107400000000, 0.0000998700000000 ] - [ -0.0001362600000000, 0.0000003800000000, -0.0000000400000000 ] - [ 0.0000685100000000, 0.0001120600000000, -0.0000998700000000 ] - [ 0.0000667900000000, 0.0001107400000000, 0.0000998700000000 ] - [ -0.0001362600000000, -0.0000003800000000, -0.0000000400000000 ] - [ 0.0000685100000000, -0.0001120600000000, -0.0000998700000000 ] - [ 0.0002538500000000, 0.0000000000000000, 0.0000148700000000 ] - [ -0.0001373400000000, 0.0000000000000000, 0.0000166400000000 ] - [ -0.0001378000000000, 0.0000000000000000, -0.0000165700000000 ] - [ 0.0000700500000000, -0.0000002400000000, 0.0000008700000000 ] - [ -0.0000371600000000, -0.0000244700000000, 0.0000252300000000 ] - [ -0.0000368500000000, 0.0000246300000000, -0.0000251700000000 ] - [ 0.0000700500000000, 0.0000002400000000, 0.0000008700000000 ] - [ -0.0000371600000000, 0.0000244700000000, 0.0000252300000000 ] - [ -0.0000368500000000, -0.0000246300000000, -0.0000251700000000 ] - [ 0.0116493900000000, 0.0000000000000000, -0.0001660100000000 ] - [ -0.0001902500000000, 0.0000000000000000, -0.0000000800000000 ] - [ 0.0111287000000000, 0.0000000000000000, 0.0001508700000000 ] - [ 0.0001187800000000, -0.0002391300000000, -0.0000268400000000 ] - [ -0.0001037400000000, 0.0000002200000000, 0.0000000500000000 ] - [ 0.0001219000000000, 0.0002404700000000, 0.0000269000000000 ] - [ 0.0001187800000000, 0.0002391300000000, -0.0000268400000000 ] - [ -0.0001037400000000, -0.0000002200000000, 0.0000000500000000 ] - [ 0.0001219000000000, -0.0002404700000000, 0.0000269000000000 ] - [ 0.0000264100000000, 0.0001417000000000, -0.0001202700000000 ] - [ -0.0000807200000000, -0.0000000700000000, 0.0000002400000000 ] - [ 0.0000264800000000, -0.0001421300000000, 0.0001207100000000 ] - [ 0.0000264100000000, -0.0001417000000000, -0.0001202700000000 ] - [ -0.0000807200000000, 0.0000000700000000, 0.0000002400000000 ] - [ 0.0000264800000000, 0.0001421300000000, 0.0001207100000000 ] - [ 0.0000210200000000, 0.0000000000000000, 0.0000041000000000 ] - [ -0.0000421300000000, 0.0000000000000000, 0.0000001200000000 ] - [ 0.0000213900000000, 0.0000000000000000, -0.0000041900000000 ] - [ 0.0000859000000000, -0.0000012900000000, 0.0000004900000000 ] - [ -0.0000511900000000, 0.0000279800000000, -0.0000045500000000 ] - [ -0.0000513400000000, -0.0000280200000000, 0.0000045300000000 ] - [ 0.0000859000000000, 0.0000012900000000, 0.0000004900000000 ] - [ -0.0000511900000000, -0.0000279800000000, -0.0000045500000000 ] - [ -0.0000513400000000, 0.0000280200000000, 0.0000045300000000 ] - [ 0.0000472400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000239000000000, 0.0000000000000000, -0.0000035800000000 ] - [ -0.0000238200000000, 0.0000000000000000, 0.0000036600000000 ] - [ -0.0365575400000000, 0.0000000000000000, 0.0000500900000000 ] - [ 0.0005478000000000, 0.0000000000000000, 0.0000647100000000 ] - [ 0.0005467100000000, 0.0000000000000000, -0.0000498300000000 ] - [ -0.0004121400000000, 0.0000025200000000, 0.0000133200000000 ] - [ 0.0002819000000000, 0.0001956900000000, 0.0001071800000000 ] - [ 0.0002820800000000, -0.0001957700000000, -0.0000921100000000 ] - [ -0.0004121400000000, -0.0000025200000000, 0.0000133200000000 ] - [ 0.0002819000000000, -0.0001956900000000, 0.0001071800000000 ] - [ 0.0002820800000000, 0.0001957700000000, -0.0000921100000000 ] - [ -0.0003483100000000, -0.0000014500000000, 0.0000065800000000 ] - [ 0.0001775500000000, -0.0000399800000000, -0.0000506400000000 ] - [ 0.0001779800000000, 0.0000403100000000, 0.0000663900000000 ] - [ -0.0003483100000000, 0.0000014500000000, 0.0000065800000000 ] - [ 0.0001775500000000, 0.0000399800000000, -0.0000506400000000 ] - [ 0.0001779800000000, -0.0000403100000000, 0.0000663900000000 ] - [ -0.0000588400000000, 0.0000000000000000, 0.0000071800000000 ] - [ 0.0000530300000000, 0.0000000000000000, -0.0000173100000000 ] - [ 0.0000528600000000, 0.0000000000000000, 0.0000317000000000 ] - [ 0.0017741500000000, -0.0021123800000000, -0.0004399800000000 ] - [ 0.0005140100000000, 0.0000003400000000, -0.0000074300000000 ] - [ 0.0017666600000000, 0.0021114400000000, 0.0004261500000000 ] - [ 0.0017741500000000, 0.0021123800000000, -0.0004399800000000 ] - [ 0.0005140100000000, -0.0000003400000000, -0.0000074300000000 ] - [ 0.0017666600000000, -0.0021114400000000, 0.0004261500000000 ] - [ -0.0000508900000000, 0.0000000000000000, -0.0000061200000000 ] - [ 0.0001716600000000, 0.0000000000000000, -0.0000072200000000 ] - [ -0.0000486200000000, 0.0000000000000000, -0.0000093300000000 ] - [ -0.0005160300000000, 0.0000029600000000, -0.0000119600000000 ] - [ 0.0001177100000000, -0.0000671600000000, 0.0000476200000000 ] - [ 0.0001181500000000, 0.0000677300000000, -0.0000627700000000 ] - [ -0.0005160300000000, -0.0000029600000000, -0.0000119600000000 ] - [ 0.0001177100000000, 0.0000671600000000, 0.0000476200000000 ] - [ 0.0001181500000000, -0.0000677300000000, -0.0000627700000000 ] - [ -0.0000590400000000, 0.0000000000000000, -0.0000094900000000 ] - [ 0.0000411200000000, 0.0000000000000000, 0.0000042900000000 ] - [ 0.0000405800000000, 0.0000000000000000, -0.0000189700000000 ] - [ -0.0000479000000000, -0.0001173300000000, -0.0001824600000000 ] - [ 0.0000868900000000, 0.0000000800000000, 0.0000075400000000 ] - [ -0.0000467100000000, 0.0001180400000000, 0.0001981600000000 ] - [ -0.0000479000000000, 0.0001173300000000, -0.0001824600000000 ] - [ 0.0000868900000000, -0.0000000800000000, 0.0000075400000000 ] - [ -0.0000467100000000, -0.0001180400000000, 0.0001981600000000 ] - [ -0.0000246000000000, 0.0000000000000000, 0.0000101700000000 ] - [ 0.0000481300000000, 0.0000000000000000, 0.0000078900000000 ] - [ -0.0000245700000000, 0.0000000000000000, 0.0000049700000000 ] - [ 0.0000636500000000, 0.0000000000000000, 0.0019531500000000 ] - [ 0.0001252900000000, 0.0000000000000000, 0.0000080100000000 ] - [ 0.0000578400000000, 0.0000000000000000, -0.0019233900000000 ] - [ -0.0000384900000000, 0.0000396300000000, -0.0000119100000000 ] - [ 0.0001163700000000, 0.0000000300000000, 0.0000075200000000 ] - [ -0.0000391700000000, -0.0000405100000000, 0.0000278400000000 ] - [ -0.0000384900000000, -0.0000396300000000, -0.0000119100000000 ] - [ 0.0001163700000000, -0.0000000300000000, 0.0000075200000000 ] - [ -0.0000391700000000, 0.0000405100000000, 0.0000278400000000 ] - [ -0.0000901700000000, 0.0000000000000000, -0.0000207000000000 ] - [ 0.0001927500000000, 0.0000000000000000, 0.0000117500000000 ] - [ 0.0001924300000000, 0.0000000000000000, -0.0000257500000000 ] - [ -0.0000975800000000, -0.0000004600000000, -0.0000060700000000 ] - [ 0.0000506600000000, 0.0000176800000000, 0.0000355400000000 ] - [ 0.0000502000000000, -0.0000178200000000, -0.0000504400000000 ] - [ -0.0000975800000000, 0.0000004600000000, -0.0000060700000000 ] - [ 0.0000506600000000, -0.0000176800000000, 0.0000355400000000 ] - [ 0.0000502000000000, 0.0000178200000000, -0.0000504400000000 ] - [ 0.0002729300000000, 0.0000000000000000, -0.0004324100000000 ] - [ 0.0001508600000000, 0.0000000000000000, -0.0000066000000000 ] - [ 0.0002753000000000, 0.0000000000000000, 0.0004181200000000 ] - [ -0.0000563900000000, 0.0000828400000000, -0.0000717200000000 ] - [ 0.0000704500000000, -0.0000002300000000, -0.0000074600000000 ] - [ -0.0000571700000000, -0.0000837200000000, 0.0000563100000000 ] - [ -0.0000563900000000, -0.0000828400000000, -0.0000717200000000 ] - [ 0.0000704500000000, 0.0000002300000000, -0.0000074600000000 ] - [ -0.0000571700000000, 0.0000837200000000, 0.0000563100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004676400000000, 0.0001945400000000, -0.0011394100000000 ] - [ 0.0000000000000000, 0.0000859000000000, -0.0003939300000000 ] - [ -0.0004676400000000, 0.0001945400000000, -0.0011394100000000 ] - [ -0.0004650000000000, 0.0002092300000000, 0.0011452500000000 ] - [ 0.0000000000000000, 0.0000885400000000, 0.0004010000000000 ] - [ 0.0004650000000000, 0.0002092300000000, 0.0011452500000000 ] - [ -0.0000031300000000, -0.0005087700000000, 0.0000052300000000 ] - [ 0.0000000000000000, -0.0001842700000000, 0.0000017500000000 ] - [ 0.0000031300000000, -0.0005087700000000, 0.0000052300000000 ] - [ 0.0000000000000000, 0.0102304800000000, -0.0005898600000000 ] - [ 0.0011046900000000, 0.0001698000000000, 0.0001915000000000 ] - [ -0.0011046900000000, 0.0001698000000000, 0.0001915000000000 ] - [ 0.0000000000000000, 0.0113146500000000, 0.0005820600000000 ] - [ -0.0011115200000000, 0.0001735900000000, -0.0001920600000000 ] - [ 0.0011115200000000, 0.0001735900000000, -0.0001920600000000 ] - [ 0.0000000000000000, -0.0107812400000000, 0.0000058700000000 ] - [ -0.0000037500000000, -0.0003855600000000, -0.0000009200000000 ] - [ 0.0000037500000000, -0.0003855600000000, -0.0000009200000000 ] - [ 0.0000000000000000, 0.0038472600000000, 0.0000532300000000 ] - [ 0.0000055900000000, 0.0002698200000000, -0.0000035900000000 ] - [ -0.0000055900000000, 0.0002698200000000, -0.0000035900000000 ] - [ 0.0000000000000000, -0.0011171900000000, -0.0012840800000000 ] - [ -0.0001231000000000, -0.0001436000000000, -0.0000352700000000 ] - [ 0.0001231000000000, -0.0001436000000000, -0.0000352700000000 ] - [ 0.0000000000000000, -0.0011199700000000, 0.0012643900000000 ] - [ 0.0001212700000000, -0.0001462500000000, 0.0000336800000000 ] - [ -0.0001212700000000, -0.0001462500000000, 0.0000336800000000 ] - [ 0.0000163800000000, 0.0003723900000000, 0.0000033700000000 ] - [ 0.0000000000000000, 0.0001974800000000, 0.0000021900000000 ] - [ -0.0000163800000000, 0.0003723900000000, 0.0000033700000000 ] - [ -0.0001838200000000, -0.0002186600000000, -0.0000511600000000 ] - [ 0.0000000000000000, -0.0000969800000000, -0.0000682700000000 ] - [ 0.0001838200000000, -0.0002186600000000, -0.0000511600000000 ] - [ 0.0001804800000000, -0.0002243700000000, 0.0000496400000000 ] - [ 0.0000000000000000, -0.0000993600000000, 0.0000679000000000 ] - [ -0.0001804800000000, -0.0002243700000000, 0.0000496400000000 ] - [ 0.0000000000000000, 0.0004536400000000, 0.0000108600000000 ] - [ 0.0000013400000000, 0.0000997700000000, 0.0000003300000000 ] - [ -0.0000013400000000, 0.0000997700000000, 0.0000003300000000 ] - [ 0.0000000000000000, -0.0001162400000000, 0.0001469100000000 ] - [ -0.0000342300000000, -0.0000536200000000, 0.0000128800000000 ] - [ 0.0000342300000000, -0.0000536200000000, 0.0000128800000000 ] - [ 0.0000000000000000, -0.0001200100000000, -0.0001448900000000 ] - [ 0.0000339500000000, -0.0000541900000000, -0.0000123200000000 ] - [ -0.0000339500000000, -0.0000541900000000, -0.0000123200000000 ] - [ -0.0000077300000000, 0.0005664200000000, -0.0000008200000000 ] - [ 0.0000000000000000, 0.0001512200000000, -0.0000002500000000 ] - [ 0.0000077300000000, 0.0005664200000000, -0.0000008200000000 ] - [ -0.0001938400000000, -0.0002398800000000, -0.0000033400000000 ] - [ 0.0000000000000000, -0.0000789100000000, 0.0000070700000000 ] - [ 0.0001938400000000, -0.0002398800000000, -0.0000033400000000 ] - [ 0.0001907900000000, -0.0002426600000000, 0.0000037000000000 ] - [ 0.0000000000000000, -0.0000788800000000, -0.0000069100000000 ] - [ -0.0001907900000000, -0.0002426600000000, 0.0000037000000000 ] - [ 0.0001795300000000, 0.0000425600000000, 0.0001479900000000 ] - [ 0.0000000000000000, 0.0000265600000000, 0.0000380900000000 ] - [ -0.0001795300000000, 0.0000425600000000, 0.0001479900000000 ] - [ -0.0001802200000000, 0.0000469600000000, -0.0001483200000000 ] - [ 0.0000000000000000, 0.0000279400000000, -0.0000387800000000 ] - [ 0.0001802200000000, 0.0000469600000000, -0.0001483200000000 ] - [ -0.0000007900000000, -0.0001188700000000, -0.0000008300000000 ] - [ 0.0000000000000000, -0.0000600400000000, -0.0000002700000000 ] - [ 0.0000007900000000, -0.0001188700000000, -0.0000008300000000 ] - [ 0.0000000000000000, 0.0000750900000000, 0.0001015300000000 ] - [ 0.0000300100000000, 0.0000302400000000, -0.0000087600000000 ] - [ -0.0000300100000000, 0.0000302400000000, -0.0000087600000000 ] - [ 0.0000000000000000, 0.0000856500000000, -0.0001041200000000 ] - [ -0.0000294000000000, 0.0000318100000000, 0.0000087300000000 ] - [ 0.0000294000000000, 0.0000318100000000, 0.0000087300000000 ] - [ 0.0000000000000000, -0.0001495100000000, 0.0000002500000000 ] - [ -0.0000001200000000, -0.0000572500000000, 0.0000001100000000 ] - [ 0.0000001200000000, -0.0000572500000000, 0.0000001100000000 ] - [ 0.0000000000000000, -0.0534169800000000, 0.0000087100000000 ] - [ -0.0000004900000000, -0.0004573400000000, 0.0000093000000000 ] - [ 0.0000004900000000, -0.0004573400000000, 0.0000093000000000 ] - [ 0.0000000000000000, 0.0143902200000000, 0.0005156700000000 ] - [ 0.0001965600000000, 0.0001180700000000, 0.0000440700000000 ] - [ -0.0001965600000000, 0.0001180700000000, 0.0000440700000000 ] - [ 0.0000000000000000, 0.0142874600000000, -0.0004892400000000 ] - [ -0.0001952500000000, 0.0001206200000000, -0.0000288300000000 ] - [ 0.0001952500000000, 0.0001206200000000, -0.0000288300000000 ] - [ 0.0000000000000000, 0.0000665200000000, 0.0012113500000000 ] - [ -0.0000942400000000, -0.0000372800000000, 0.0000434900000000 ] - [ 0.0000942400000000, -0.0000372800000000, 0.0000434900000000 ] - [ 0.0000000000000000, 0.0000564200000000, -0.0012176000000000 ] - [ 0.0000926200000000, -0.0000387900000000, -0.0000287500000000 ] - [ -0.0000926200000000, -0.0000387900000000, -0.0000287500000000 ] - [ 0.0000000000000000, 0.0001265800000000, 0.0000029800000000 ] - [ 0.0000003500000000, 0.0001177200000000, 0.0000069700000000 ] - [ -0.0000003500000000, 0.0001177200000000, 0.0000069700000000 ] - [ -0.0021323500000000, 0.0017644600000000, 0.0006574500000000 ] - [ 0.0000000000000000, -0.0000503500000000, 0.0001540800000000 ] - [ 0.0021323500000000, 0.0017644600000000, 0.0006574500000000 ] - [ 0.0021614500000000, 0.0017740100000000, -0.0006785200000000 ] - [ 0.0000000000000000, -0.0000516400000000, -0.0001731700000000 ] - [ -0.0021614500000000, 0.0017740100000000, -0.0006785200000000 ] - [ 0.0000054600000000, 0.0005135100000000, -0.0000098000000000 ] - [ 0.0000000000000000, 0.0001710800000000, -0.0000077700000000 ] - [ -0.0000054600000000, 0.0005135100000000, -0.0000098000000000 ] - [ 0.0000000000000000, 0.0011555700000000, -0.0018755300000000 ] - [ -0.0000679700000000, -0.0000631500000000, -0.0001220300000000 ] - [ 0.0000679700000000, -0.0000631500000000, -0.0001220300000000 ] - [ 0.0000000000000000, 0.0011789400000000, 0.0018911400000000 ] - [ 0.0000670300000000, -0.0000662800000000, 0.0001085000000000 ] - [ -0.0000670300000000, -0.0000662800000000, 0.0001085000000000 ] - [ 0.0000000000000000, 0.0013551400000000, -0.0000049300000000 ] - [ 0.0000003400000000, 0.0001168500000000, -0.0000065600000000 ] - [ -0.0000003400000000, 0.0001168500000000, -0.0000065600000000 ] - [ -0.0001187800000000, -0.0000584100000000, 0.0002887000000000 ] - [ 0.0000000000000000, -0.0000459400000000, 0.0000994400000000 ] - [ 0.0001187800000000, -0.0000584100000000, 0.0002887000000000 ] - [ 0.0001171900000000, -0.0000643600000000, -0.0002760600000000 ] - [ 0.0000000000000000, -0.0000482000000000, -0.0000868400000000 ] - [ -0.0001171900000000, -0.0000643600000000, -0.0002760600000000 ] - [ 0.0000004700000000, 0.0002279300000000, 0.0000061400000000 ] - [ 0.0000000000000000, 0.0001015400000000, 0.0000071000000000 ] - [ -0.0000004700000000, 0.0002279300000000, 0.0000061400000000 ] - [ -0.0000060700000000, -0.0003473900000000, 0.0000010400000000 ] - [ 0.0000000000000000, -0.0000580400000000, 0.0000074400000000 ] - [ 0.0000060700000000, -0.0003473900000000, 0.0000010400000000 ] - [ 0.0000946000000000, 0.0001777700000000, 0.0001163000000000 ] - [ 0.0000000000000000, 0.0000536200000000, 0.0000473400000000 ] - [ -0.0000946000000000, 0.0001777700000000, 0.0001163000000000 ] - [ -0.0000927300000000, 0.0001801900000000, -0.0001002000000000 ] - [ 0.0000000000000000, 0.0000543800000000, -0.0000321400000000 ] - [ 0.0000927300000000, 0.0001801900000000, -0.0001002000000000 ] - [ 0.0000000000000000, -0.0000916300000000, -0.0000589100000000 ] - [ -0.0000028100000000, -0.0000987800000000, -0.0000066900000000 ] - [ 0.0000028100000000, -0.0000987800000000, -0.0000066900000000 ] - [ 0.0000000000000000, 0.0001909700000000, 0.0002938700000000 ] - [ 0.0000395000000000, 0.0000487800000000, 0.0000097200000000 ] - [ -0.0000395000000000, 0.0000487800000000, 0.0000097200000000 ] - [ 0.0000000000000000, 0.0001925600000000, -0.0003032500000000 ] - [ -0.0000394300000000, 0.0000500400000000, -0.0000235900000000 ] - [ 0.0000394300000000, 0.0000500400000000, -0.0000235900000000 ] - [ -0.0000053400000000, -0.0003777400000000, -0.0000102600000000 ] - [ 0.0000000000000000, -0.0001744200000000, -0.0000078400000000 ] - [ 0.0000053400000000, -0.0003777400000000, -0.0000102600000000 ] - [ 0.0000835200000000, 0.0002444600000000, -0.0000800200000000 ] - [ 0.0000000000000000, 0.0000796300000000, -0.0000075400000000 ] - [ -0.0000835200000000, 0.0002444600000000, -0.0000800200000000 ] - [ -0.0000831700000000, 0.0002486600000000, 0.0000647200000000 ] - [ 0.0000000000000000, 0.0000807800000000, -0.0000074300000000 ] - [ 0.0000831700000000, 0.0002486600000000, 0.0000647200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006869400000000, -0.0001013200000000, -0.0006775400000000 ] - [ 0.0000000000000000, 0.0000806800000000, -0.0002240100000000 ] - [ -0.0006869400000000, -0.0001013200000000, -0.0006775400000000 ] - [ 0.0006869400000000, 0.0001013200000000, -0.0006775400000000 ] - [ 0.0000000000000000, -0.0000806800000000, -0.0002240100000000 ] - [ -0.0006869400000000, 0.0001013200000000, -0.0006775400000000 ] - [ 0.0000180600000000, 0.0000000000000000, -0.0001934700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001130500000000 ] - [ -0.0000180600000000, 0.0000000000000000, -0.0001934700000000 ] - [ 0.0000000000000000, -0.0036324200000000, 0.0031238500000000 ] - [ 0.0003544600000000, 0.0001089400000000, 0.0001396300000000 ] - [ -0.0003544600000000, 0.0001089400000000, 0.0001396300000000 ] - [ 0.0000000000000000, 0.0036324200000000, 0.0031238500000000 ] - [ 0.0003544600000000, -0.0001089400000000, 0.0001396300000000 ] - [ -0.0003544600000000, -0.0001089400000000, 0.0001396300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004332800000000 ] - [ 0.0000688500000000, 0.0000000000000000, 0.0000984400000000 ] - [ -0.0000688500000000, 0.0000000000000000, 0.0000984400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0151581400000000 ] - [ -0.0006125400000000, 0.0000000000000000, 0.0002884100000000 ] - [ 0.0006125400000000, 0.0000000000000000, 0.0002884100000000 ] - [ 0.0000000000000000, -0.0006618800000000, -0.0001051500000000 ] - [ -0.0000303700000000, -0.0000763900000000, 0.0001227500000000 ] - [ 0.0000303700000000, -0.0000763900000000, 0.0001227500000000 ] - [ 0.0000000000000000, 0.0006618800000000, -0.0001051500000000 ] - [ -0.0000303700000000, 0.0000763900000000, 0.0001227500000000 ] - [ 0.0000303700000000, 0.0000763900000000, 0.0001227500000000 ] - [ -0.0032402700000000, 0.0000000000000000, -0.0017485900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003902600000000 ] - [ 0.0032402700000000, 0.0000000000000000, -0.0017485900000000 ] - [ 0.0000322700000000, -0.0001856500000000, -0.0001756600000000 ] - [ 0.0000000000000000, -0.0000584800000000, -0.0000647400000000 ] - [ -0.0000322700000000, -0.0001856500000000, -0.0001756600000000 ] - [ 0.0000322700000000, 0.0001856500000000, -0.0001756600000000 ] - [ 0.0000000000000000, 0.0000584800000000, -0.0000647400000000 ] - [ -0.0000322700000000, 0.0001856500000000, -0.0001756600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006195900000000 ] - [ 0.0000383800000000, 0.0000000000000000, 0.0000243600000000 ] - [ -0.0000383800000000, 0.0000000000000000, 0.0000243600000000 ] - [ 0.0000000000000000, 0.0002154000000000, 0.0000241900000000 ] - [ 0.0000174000000000, -0.0000031400000000, -0.0000200200000000 ] - [ -0.0000174000000000, -0.0000031400000000, -0.0000200200000000 ] - [ 0.0000000000000000, -0.0002154000000000, 0.0000241900000000 ] - [ 0.0000174000000000, 0.0000031400000000, -0.0000200200000000 ] - [ -0.0000174000000000, 0.0000031400000000, -0.0000200200000000 ] - [ 0.0008311100000000, 0.0000000000000000, 0.0000287000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000516100000000 ] - [ -0.0008311100000000, 0.0000000000000000, 0.0000287000000000 ] - [ 0.0000080500000000, 0.0000519600000000, 0.0000305400000000 ] - [ 0.0000000000000000, -0.0000013400000000, 0.0000097100000000 ] - [ -0.0000080500000000, 0.0000519600000000, 0.0000305400000000 ] - [ 0.0000080500000000, -0.0000519600000000, 0.0000305400000000 ] - [ 0.0000000000000000, 0.0000013400000000, 0.0000097100000000 ] - [ -0.0000080500000000, -0.0000519600000000, 0.0000305400000000 ] - [ -0.0001381300000000, 0.0001275200000000, 0.0000940000000000 ] - [ 0.0000000000000000, 0.0000656800000000, 0.0000216600000000 ] - [ 0.0001381300000000, 0.0001275200000000, 0.0000940000000000 ] - [ -0.0001381300000000, -0.0001275200000000, 0.0000940000000000 ] - [ 0.0000000000000000, -0.0000656800000000, 0.0000216600000000 ] - [ 0.0001381300000000, -0.0001275200000000, 0.0000940000000000 ] - [ -0.0000341300000000, 0.0000000000000000, 0.0000278800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000139600000000 ] - [ 0.0000341300000000, 0.0000000000000000, 0.0000278800000000 ] - [ 0.0000000000000000, 0.0007393700000000, -0.0003017600000000 ] - [ -0.0000225300000000, 0.0000426400000000, -0.0000247000000000 ] - [ 0.0000225300000000, 0.0000426400000000, -0.0000247000000000 ] - [ 0.0000000000000000, -0.0007393700000000, -0.0003017600000000 ] - [ -0.0000225300000000, -0.0000426400000000, -0.0000247000000000 ] - [ 0.0000225300000000, -0.0000426400000000, -0.0000247000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000403400000000 ] - [ -0.0000005400000000, 0.0000000000000000, -0.0000133500000000 ] - [ 0.0000005400000000, 0.0000000000000000, -0.0000133500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0410549400000000 ] - [ -0.0000579600000000, 0.0000000000000000, -0.0000941900000000 ] - [ 0.0000579600000000, 0.0000000000000000, -0.0000941900000000 ] - [ 0.0000000000000000, -0.0005115300000000, 0.0002376300000000 ] - [ -0.0001008500000000, -0.0000370300000000, -0.0000778800000000 ] - [ 0.0001008500000000, -0.0000370300000000, -0.0000778800000000 ] - [ 0.0000000000000000, 0.0005115300000000, 0.0002376300000000 ] - [ -0.0001008500000000, 0.0000370300000000, -0.0000778800000000 ] - [ 0.0001008500000000, 0.0000370300000000, -0.0000778800000000 ] - [ 0.0000000000000000, 0.0019288700000000, 0.0012969900000000 ] - [ -0.0001080800000000, -0.0000204000000000, 0.0000074600000000 ] - [ 0.0001080800000000, -0.0000204000000000, 0.0000074600000000 ] - [ 0.0000000000000000, -0.0019288700000000, 0.0012969900000000 ] - [ -0.0001080800000000, 0.0000204000000000, 0.0000074600000000 ] - [ 0.0001080800000000, 0.0000204000000000, 0.0000074600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000177300000000 ] - [ -0.0000397800000000, 0.0000000000000000, 0.0000026300000000 ] - [ 0.0000397800000000, 0.0000000000000000, 0.0000026300000000 ] - [ -0.0006738800000000, 0.0004387700000000, -0.0000664800000000 ] - [ 0.0000000000000000, -0.0000013600000000, 0.0000865800000000 ] - [ 0.0006738800000000, 0.0004387700000000, -0.0000664800000000 ] - [ -0.0006738800000000, -0.0004387700000000, -0.0000664800000000 ] - [ 0.0000000000000000, 0.0000013600000000, 0.0000865800000000 ] - [ 0.0006738800000000, -0.0004387700000000, -0.0000664800000000 ] - [ -0.0001662600000000, 0.0000000000000000, 0.0000869800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000278100000000 ] - [ 0.0001662600000000, 0.0000000000000000, 0.0000869800000000 ] - [ 0.0000000000000000, -0.0018826900000000, 0.0015782700000000 ] - [ 0.0000554100000000, -0.0001153900000000, -0.0001133200000000 ] - [ -0.0000554100000000, -0.0001153900000000, -0.0001133200000000 ] - [ 0.0000000000000000, 0.0018826900000000, 0.0015782700000000 ] - [ 0.0000554100000000, 0.0001153900000000, -0.0001133200000000 ] - [ -0.0000554100000000, 0.0001153900000000, -0.0001133200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002436700000000 ] - [ 0.0000115600000000, 0.0000000000000000, -0.0000705900000000 ] - [ -0.0000115600000000, 0.0000000000000000, -0.0000705900000000 ] - [ 0.0001902300000000, -0.0002841700000000, 0.0003956100000000 ] - [ 0.0000000000000000, -0.0000935800000000, 0.0001074400000000 ] - [ -0.0001902300000000, -0.0002841700000000, 0.0003956100000000 ] - [ 0.0001902300000000, 0.0002841700000000, 0.0003956100000000 ] - [ 0.0000000000000000, 0.0000935800000000, 0.0001074400000000 ] - [ -0.0001902300000000, 0.0002841700000000, 0.0003956100000000 ] - [ -0.0000027300000000, 0.0000000000000000, 0.0001132500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000606100000000 ] - [ 0.0000027300000000, 0.0000000000000000, 0.0001132500000000 ] - [ 0.0012195700000000, 0.0000000000000000, 0.0013078900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000191500000000 ] - [ -0.0012195700000000, 0.0000000000000000, 0.0013078900000000 ] - [ 0.0000357300000000, 0.0000583900000000, 0.0000070600000000 ] - [ 0.0000000000000000, 0.0000242500000000, 0.0000021800000000 ] - [ -0.0000357300000000, 0.0000583900000000, 0.0000070600000000 ] - [ 0.0000357300000000, -0.0000583900000000, 0.0000070600000000 ] - [ 0.0000000000000000, -0.0000242500000000, 0.0000021800000000 ] - [ -0.0000357300000000, -0.0000583900000000, 0.0000070600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098765600000000 ] - [ 0.0002998500000000, 0.0000000000000000, 0.0000411600000000 ] - [ -0.0002998500000000, 0.0000000000000000, 0.0000411600000000 ] - [ 0.0000000000000000, 0.0000183500000000, 0.0000422400000000 ] - [ 0.0000170000000000, 0.0000436300000000, -0.0000170300000000 ] - [ -0.0000170000000000, 0.0000436300000000, -0.0000170300000000 ] - [ 0.0000000000000000, -0.0000183500000000, 0.0000422400000000 ] - [ 0.0000170000000000, -0.0000436300000000, -0.0000170300000000 ] - [ -0.0000170000000000, -0.0000436300000000, -0.0000170300000000 ] - [ -0.0004196600000000, 0.0000000000000000, 0.0027008700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002036300000000 ] - [ 0.0004196600000000, 0.0000000000000000, 0.0027008700000000 ] - [ -0.0000639200000000, -0.0000717400000000, 0.0000873700000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0000476000000000 ] - [ 0.0000639200000000, -0.0000717400000000, 0.0000873700000000 ] - [ -0.0000639200000000, 0.0000717400000000, 0.0000873700000000 ] - [ 0.0000000000000000, -0.0000001400000000, 0.0000476000000000 ] - [ 0.0000639200000000, 0.0000717400000000, 0.0000873700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006899000000000, 0.0001059600000000, 0.0006684900000000 ] - [ 0.0000000000000000, -0.0000798900000000, 0.0002219800000000 ] - [ 0.0006899000000000, 0.0001059600000000, 0.0006684900000000 ] - [ -0.0006899000000000, -0.0001059600000000, 0.0006684900000000 ] - [ 0.0000000000000000, 0.0000798900000000, 0.0002219800000000 ] - [ 0.0006899000000000, -0.0001059600000000, 0.0006684900000000 ] - [ -0.0000171200000000, 0.0000000000000000, 0.0001907500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001116500000000 ] - [ 0.0000171200000000, 0.0000000000000000, 0.0001907500000000 ] - [ 0.0000000000000000, 0.0036796700000000, -0.0031394000000000 ] - [ -0.0003481400000000, -0.0001081400000000, -0.0001388100000000 ] - [ 0.0003481400000000, -0.0001081400000000, -0.0001388100000000 ] - [ 0.0000000000000000, -0.0036796700000000, -0.0031394000000000 ] - [ -0.0003481400000000, 0.0001081400000000, -0.0001388100000000 ] - [ 0.0003481400000000, 0.0001081400000000, -0.0001388100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004233200000000 ] - [ -0.0000672800000000, 0.0000000000000000, -0.0000982200000000 ] - [ 0.0000672800000000, 0.0000000000000000, -0.0000982200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0141366100000000 ] - [ 0.0006082900000000, 0.0000000000000000, -0.0002825900000000 ] - [ -0.0006082900000000, 0.0000000000000000, -0.0002825900000000 ] - [ 0.0000000000000000, 0.0006662900000000, 0.0000919800000000 ] - [ 0.0000306100000000, 0.0000755900000000, -0.0001209400000000 ] - [ -0.0000306100000000, 0.0000755900000000, -0.0001209400000000 ] - [ 0.0000000000000000, -0.0006662900000000, 0.0000919800000000 ] - [ 0.0000306100000000, -0.0000755900000000, -0.0001209400000000 ] - [ -0.0000306100000000, -0.0000755900000000, -0.0001209400000000 ] - [ 0.0032147100000000, 0.0000000000000000, 0.0017536600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003863500000000 ] - [ -0.0032147100000000, 0.0000000000000000, 0.0017536600000000 ] - [ -0.0000318100000000, 0.0001832800000000, 0.0001757900000000 ] - [ 0.0000000000000000, 0.0000575400000000, 0.0000652000000000 ] - [ 0.0000318100000000, 0.0001832800000000, 0.0001757900000000 ] - [ -0.0000318100000000, -0.0001832800000000, 0.0001757900000000 ] - [ 0.0000000000000000, -0.0000575400000000, 0.0000652000000000 ] - [ 0.0000318100000000, -0.0001832800000000, 0.0001757900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008574700000000 ] - [ -0.0000393500000000, 0.0000000000000000, -0.0000249000000000 ] - [ 0.0000393500000000, 0.0000000000000000, -0.0000249000000000 ] - [ 0.0000000000000000, -0.0002164900000000, -0.0000239600000000 ] - [ -0.0000172900000000, 0.0000030100000000, 0.0000198400000000 ] - [ 0.0000172900000000, 0.0000030100000000, 0.0000198400000000 ] - [ 0.0000000000000000, 0.0002164900000000, -0.0000239600000000 ] - [ -0.0000172900000000, -0.0000030100000000, 0.0000198400000000 ] - [ 0.0000172900000000, -0.0000030100000000, 0.0000198400000000 ] - [ -0.0008599100000000, 0.0000000000000000, -0.0000269600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000510900000000 ] - [ 0.0008599100000000, 0.0000000000000000, -0.0000269600000000 ] - [ -0.0000097200000000, -0.0000509700000000, -0.0000301800000000 ] - [ 0.0000000000000000, 0.0000012800000000, -0.0000096400000000 ] - [ 0.0000097200000000, -0.0000509700000000, -0.0000301800000000 ] - [ -0.0000097200000000, 0.0000509700000000, -0.0000301800000000 ] - [ 0.0000000000000000, -0.0000012800000000, -0.0000096400000000 ] - [ 0.0000097200000000, 0.0000509700000000, -0.0000301800000000 ] - [ 0.0001401800000000, -0.0001271700000000, -0.0000922200000000 ] - [ 0.0000000000000000, -0.0000647300000000, -0.0000212700000000 ] - [ -0.0001401800000000, -0.0001271700000000, -0.0000922200000000 ] - [ 0.0001401800000000, 0.0001271700000000, -0.0000922200000000 ] - [ 0.0000000000000000, 0.0000647300000000, -0.0000212700000000 ] - [ -0.0001401800000000, 0.0001271700000000, -0.0000922200000000 ] - [ 0.0000339800000000, 0.0000000000000000, -0.0000274500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000136800000000 ] - [ -0.0000339800000000, 0.0000000000000000, -0.0000274500000000 ] - [ 0.0000000000000000, -0.0007331600000000, 0.0003065300000000 ] - [ 0.0000223000000000, -0.0000419000000000, 0.0000247400000000 ] - [ -0.0000223000000000, -0.0000419000000000, 0.0000247400000000 ] - [ 0.0000000000000000, 0.0007331600000000, 0.0003065300000000 ] - [ 0.0000223000000000, 0.0000419000000000, 0.0000247400000000 ] - [ -0.0000223000000000, 0.0000419000000000, 0.0000247400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000400600000000 ] - [ 0.0000005800000000, 0.0000000000000000, 0.0000134400000000 ] - [ -0.0000005800000000, 0.0000000000000000, 0.0000134400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0401474800000000 ] - [ 0.0000560900000000, 0.0000000000000000, 0.0001071100000000 ] - [ -0.0000560900000000, 0.0000000000000000, 0.0001071100000000 ] - [ 0.0000000000000000, 0.0004950800000000, -0.0002074800000000 ] - [ 0.0000989900000000, 0.0000366800000000, 0.0000918500000000 ] - [ -0.0000989900000000, 0.0000366800000000, 0.0000918500000000 ] - [ 0.0000000000000000, -0.0004950800000000, -0.0002074800000000 ] - [ 0.0000989900000000, -0.0000366800000000, 0.0000918500000000 ] - [ -0.0000989900000000, -0.0000366800000000, 0.0000918500000000 ] - [ 0.0000000000000000, -0.0019472200000000, -0.0012969100000000 ] - [ 0.0001083700000000, 0.0000194800000000, 0.0000080200000000 ] - [ -0.0001083700000000, 0.0000194800000000, 0.0000080200000000 ] - [ 0.0000000000000000, 0.0019472200000000, -0.0012969100000000 ] - [ 0.0001083700000000, -0.0000194800000000, 0.0000080200000000 ] - [ -0.0001083700000000, -0.0000194800000000, 0.0000080200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000349100000000 ] - [ 0.0000396400000000, 0.0000000000000000, 0.0000124600000000 ] - [ -0.0000396400000000, 0.0000000000000000, 0.0000124600000000 ] - [ 0.0006625400000000, -0.0004279900000000, 0.0000580300000000 ] - [ 0.0000000000000000, 0.0000012600000000, -0.0001002200000000 ] - [ -0.0006625400000000, -0.0004279900000000, 0.0000580300000000 ] - [ 0.0006625400000000, 0.0004279900000000, 0.0000580300000000 ] - [ 0.0000000000000000, -0.0000012600000000, -0.0001002200000000 ] - [ -0.0006625400000000, 0.0004279900000000, 0.0000580300000000 ] - [ 0.0001605900000000, 0.0000000000000000, -0.0000999100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000417500000000 ] - [ -0.0001605900000000, 0.0000000000000000, -0.0000999100000000 ] - [ 0.0000000000000000, 0.0018827200000000, -0.0015833300000000 ] - [ -0.0000554100000000, 0.0001146400000000, 0.0000977600000000 ] - [ 0.0000554100000000, 0.0001146400000000, 0.0000977600000000 ] - [ 0.0000000000000000, -0.0018827200000000, -0.0015833300000000 ] - [ -0.0000554100000000, -0.0001146400000000, 0.0000977600000000 ] - [ 0.0000554100000000, -0.0001146400000000, 0.0000977600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002578500000000 ] - [ -0.0000116200000000, 0.0000000000000000, 0.0000556200000000 ] - [ 0.0000116200000000, 0.0000000000000000, 0.0000556200000000 ] - [ -0.0001896600000000, 0.0002814000000000, -0.0003800400000000 ] - [ 0.0000000000000000, 0.0000924400000000, -0.0000919500000000 ] - [ 0.0001896600000000, 0.0002814000000000, -0.0003800400000000 ] - [ -0.0001896600000000, -0.0002814000000000, -0.0003800400000000 ] - [ 0.0000000000000000, -0.0000924400000000, -0.0000919500000000 ] - [ 0.0001896600000000, -0.0002814000000000, -0.0003800400000000 ] - [ 0.0000026400000000, 0.0000000000000000, -0.0000978700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000454500000000 ] - [ -0.0000026400000000, 0.0000000000000000, -0.0000978700000000 ] - [ -0.0012089900000000, 0.0000000000000000, -0.0012859200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000333300000000 ] - [ 0.0012089900000000, 0.0000000000000000, -0.0012859200000000 ] - [ -0.0000361400000000, -0.0000584900000000, 0.0000074900000000 ] - [ 0.0000000000000000, -0.0000240700000000, 0.0000119100000000 ] - [ 0.0000361400000000, -0.0000584900000000, 0.0000074900000000 ] - [ -0.0000361400000000, 0.0000584900000000, 0.0000074900000000 ] - [ 0.0000000000000000, 0.0000240700000000, 0.0000119100000000 ] - [ 0.0000361400000000, 0.0000584900000000, 0.0000074900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097577700000000 ] - [ -0.0002970900000000, 0.0000000000000000, -0.0000593700000000 ] - [ 0.0002970900000000, 0.0000000000000000, -0.0000593700000000 ] - [ 0.0000000000000000, -0.0000190700000000, -0.0000583000000000 ] - [ -0.0000167900000000, -0.0000429800000000, 0.0000023100000000 ] - [ 0.0000167900000000, -0.0000429800000000, 0.0000023100000000 ] - [ 0.0000000000000000, 0.0000190700000000, -0.0000583000000000 ] - [ -0.0000167900000000, 0.0000429800000000, 0.0000023100000000 ] - [ 0.0000167900000000, 0.0000429800000000, 0.0000023100000000 ] - [ 0.0004318700000000, 0.0000000000000000, -0.0027156800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002160300000000 ] - [ -0.0004318700000000, 0.0000000000000000, -0.0027156800000000 ] - [ 0.0000639000000000, 0.0000724200000000, -0.0001006900000000 ] - [ 0.0000000000000000, 0.0000003700000000, -0.0000619000000000 ] - [ -0.0000639000000000, 0.0000724200000000, -0.0001006900000000 ] - [ 0.0000639000000000, -0.0000724200000000, -0.0001006900000000 ] - [ 0.0000000000000000, -0.0000003700000000, -0.0000619000000000 ] - [ -0.0000639000000000, -0.0000724200000000, -0.0001006900000000 ]