# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/83321a48-e06a-41b3-b481-b1eeb20ed8b6/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 LiCaAlF6 / P-31c (163) / materials id 6134](https://mdr.nims.go.jp/datasets/187379dc-001f-4559-a5af-9c31a61a91e6) ## 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: "P-31c" number: 163 Hall_symbol: "-P 3 2c"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.993557640000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.496778830000000, 4.324547780000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.599774230000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.750000000000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.250000000000000 ] mass: 6.941000 - symbol: F # 3 coordinates: [ 0.971944570000000, 0.626033950000000, 0.857519470000000 ] mass: 18.998403 - symbol: F # 4 coordinates: [ 0.345910610000000, 0.373966050000000, 0.357519470000000 ] mass: 18.998403 - symbol: F # 5 coordinates: [ 0.028055430000000, 0.654089390000000, 0.357519470000000 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.626033950000000, 0.971944570000000, 0.357519470000000 ] mass: 18.998403 - symbol: F # 7 coordinates: [ 0.373966050000000, 0.028055430000000, 0.642480530000000 ] mass: 18.998403 - symbol: F # 8 coordinates: [ 0.654089390000000, 0.028055430000000, 0.857519470000000 ] mass: 18.998403 - symbol: F # 9 coordinates: [ 0.373966050000000, 0.345910610000000, 0.857519470000000 ] mass: 18.998403 - symbol: F # 10 coordinates: [ 0.971944570000000, 0.345910610000000, 0.642480530000000 ] mass: 18.998403 - symbol: F # 11 coordinates: [ 0.345910610000000, 0.971944570000000, 0.142480530000000 ] mass: 18.998403 - symbol: F # 12 coordinates: [ 0.654089390000000, 0.626033950000000, 0.642480530000000 ] mass: 18.998403 - symbol: F # 13 coordinates: [ 0.028055430000000, 0.373966050000000, 0.142480530000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.626033950000000, 0.654089390000000, 0.142480530000000 ] mass: 18.998403 - symbol: Al # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750000000000000 ] mass: 26.981539 - symbol: Al # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250000000000000 ] mass: 26.981539 - symbol: Ca # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 - symbol: Ca # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 reciprocal_lattice: # without 2pi - [ 0.200258026860385, 0.115619025951097, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.231238050976049, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.104169116485566 ] # c*unit_cell: lattice: - [ 4.993557640000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.496778830000000, 4.324547780000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.599774230000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.971944570000000, 0.626033950000000, 0.857519470000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.345910610000000, 0.373966050000000, 0.357519470000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.028055430000000, 0.654089390000000, 0.357519470000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.626033950000000, 0.971944570000000, 0.357519470000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 7 coordinates: [ 0.373966050000000, 0.028055430000000, 0.642480530000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.654089390000000, 0.028055430000000, 0.857519470000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 9 coordinates: [ 0.373966050000000, 0.345910610000000, 0.857519470000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.971944570000000, 0.345910610000000, 0.642480530000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 11 coordinates: [ 0.345910610000000, 0.971944570000000, 0.142480530000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.654089390000000, 0.626033950000000, 0.642480530000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.028055430000000, 0.373966050000000, 0.142480530000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.626033950000000, 0.654089390000000, 0.142480530000000 ] mass: 18.998403 reduced_to: 14 - symbol: Al # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 16 - symbol: Ca # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 17 - symbol: Ca # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 18supercell: lattice: - [ 9.987115279999999, 0.000000000000000, 0.000000000000000 ] # a - [ -4.993557660000000, 8.649095559999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.199548459999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.166666665000000, 0.333333335000000, 0.375000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.666666665000000, 0.333333335000000, 0.375000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.166666665000000, 0.833333335000000, 0.375000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.666666665000000, 0.833333335000000, 0.375000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.166666665000000, 0.333333335000000, 0.875000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 6 coordinates: [ 0.666666665000000, 0.333333335000000, 0.875000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 7 coordinates: [ 0.166666665000000, 0.833333335000000, 0.875000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 8 coordinates: [ 0.666666665000000, 0.833333335000000, 0.875000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 9 coordinates: [ 0.333333335000000, 0.166666665000000, 0.125000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.833333335000000, 0.166666665000000, 0.125000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 11 coordinates: [ 0.333333335000000, 0.666666665000000, 0.125000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 12 coordinates: [ 0.833333335000000, 0.666666665000000, 0.125000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 13 coordinates: [ 0.333333335000000, 0.166666665000000, 0.625000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 14 coordinates: [ 0.833333335000000, 0.166666665000000, 0.625000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 15 coordinates: [ 0.333333335000000, 0.666666665000000, 0.625000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 16 coordinates: [ 0.833333335000000, 0.666666665000000, 0.625000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: F # 17 coordinates: [ 0.485972285000000, 0.313016975000000, 0.428759735000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.985972285000000, 0.313016975000000, 0.428759735000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 19 coordinates: [ 0.485972285000000, 0.813016975000000, 0.428759735000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 20 coordinates: [ 0.985972285000000, 0.813016975000000, 0.428759735000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 21 coordinates: [ 0.485972285000000, 0.313016975000000, 0.928759735000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 22 coordinates: [ 0.985972285000000, 0.313016975000000, 0.928759735000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 23 coordinates: [ 0.485972285000000, 0.813016975000000, 0.928759735000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 24 coordinates: [ 0.985972285000000, 0.813016975000000, 0.928759735000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 25 coordinates: [ 0.172955305000000, 0.186983025000000, 0.178759735000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.672955305000000, 0.186983025000000, 0.178759735000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 27 coordinates: [ 0.172955305000000, 0.686983025000000, 0.178759735000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 28 coordinates: [ 0.672955305000000, 0.686983025000000, 0.178759735000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 29 coordinates: [ 0.172955305000000, 0.186983025000000, 0.678759735000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 30 coordinates: [ 0.672955305000000, 0.186983025000000, 0.678759735000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 31 coordinates: [ 0.172955305000000, 0.686983025000000, 0.678759735000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 32 coordinates: [ 0.672955305000000, 0.686983025000000, 0.678759735000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 33 coordinates: [ 0.014027715000000, 0.327044695000000, 0.178759735000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.514027715000000, 0.327044695000000, 0.178759735000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 35 coordinates: [ 0.014027715000000, 0.827044695000000, 0.178759735000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 36 coordinates: [ 0.514027715000000, 0.827044695000000, 0.178759735000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 37 coordinates: [ 0.014027715000000, 0.327044695000000, 0.678759735000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 38 coordinates: [ 0.514027715000000, 0.327044695000000, 0.678759735000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 39 coordinates: [ 0.014027715000000, 0.827044695000000, 0.678759735000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 40 coordinates: [ 0.514027715000000, 0.827044695000000, 0.678759735000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 41 coordinates: [ 0.313016975000000, 0.485972285000000, 0.178759735000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 42 coordinates: [ 0.813016975000000, 0.485972285000000, 0.178759735000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 43 coordinates: [ 0.313016975000000, 0.985972285000000, 0.178759735000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 44 coordinates: [ 0.813016975000000, 0.985972285000000, 0.178759735000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 45 coordinates: [ 0.313016975000000, 0.485972285000000, 0.678759735000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 46 coordinates: [ 0.813016975000000, 0.485972285000000, 0.678759735000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 47 coordinates: [ 0.313016975000000, 0.985972285000000, 0.678759735000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 48 coordinates: [ 0.813016975000000, 0.985972285000000, 0.678759735000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 49 coordinates: [ 0.186983025000000, 0.014027715000000, 0.321240265000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 50 coordinates: [ 0.686983025000000, 0.014027715000000, 0.321240265000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 51 coordinates: [ 0.186983025000000, 0.514027715000000, 0.321240265000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 52 coordinates: [ 0.686983025000000, 0.514027715000000, 0.321240265000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 53 coordinates: [ 0.186983025000000, 0.014027715000000, 0.821240265000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 54 coordinates: [ 0.686983025000000, 0.014027715000000, 0.821240265000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 55 coordinates: [ 0.186983025000000, 0.514027715000000, 0.821240265000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 56 coordinates: [ 0.686983025000000, 0.514027715000000, 0.821240265000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 57 coordinates: [ 0.327044695000000, 0.014027715000000, 0.428759735000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 58 coordinates: [ 0.827044695000000, 0.014027715000000, 0.428759735000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 59 coordinates: [ 0.327044695000000, 0.514027715000000, 0.428759735000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 60 coordinates: [ 0.827044695000000, 0.514027715000000, 0.428759735000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 61 coordinates: [ 0.327044695000000, 0.014027715000000, 0.928759735000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 62 coordinates: [ 0.827044695000000, 0.014027715000000, 0.928759735000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 63 coordinates: [ 0.327044695000000, 0.514027715000000, 0.928759735000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 64 coordinates: [ 0.827044695000000, 0.514027715000000, 0.928759735000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 65 coordinates: [ 0.186983025000000, 0.172955305000000, 0.428759735000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 66 coordinates: [ 0.686983025000000, 0.172955305000000, 0.428759735000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 67 coordinates: [ 0.186983025000000, 0.672955305000000, 0.428759735000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 68 coordinates: [ 0.686983025000000, 0.672955305000000, 0.428759735000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 69 coordinates: [ 0.186983025000000, 0.172955305000000, 0.928759735000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 70 coordinates: [ 0.686983025000000, 0.172955305000000, 0.928759735000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 71 coordinates: [ 0.186983025000000, 0.672955305000000, 0.928759735000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 72 coordinates: [ 0.686983025000000, 0.672955305000000, 0.928759735000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 73 coordinates: [ 0.485972285000000, 0.172955305000000, 0.321240265000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.985972285000000, 0.172955305000000, 0.321240265000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 75 coordinates: [ 0.485972285000000, 0.672955305000000, 0.321240265000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 76 coordinates: [ 0.985972285000000, 0.672955305000000, 0.321240265000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 77 coordinates: [ 0.485972285000000, 0.172955305000000, 0.821240265000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 78 coordinates: [ 0.985972285000000, 0.172955305000000, 0.821240265000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 79 coordinates: [ 0.485972285000000, 0.672955305000000, 0.821240265000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 80 coordinates: [ 0.985972285000000, 0.672955305000000, 0.821240265000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 81 coordinates: [ 0.172955305000000, 0.485972285000000, 0.071240265000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 82 coordinates: [ 0.672955305000000, 0.485972285000000, 0.071240265000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 83 coordinates: [ 0.172955305000000, 0.985972285000000, 0.071240265000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 84 coordinates: [ 0.672955305000000, 0.985972285000000, 0.071240265000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 85 coordinates: [ 0.172955305000000, 0.485972285000000, 0.571240265000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 86 coordinates: [ 0.672955305000000, 0.485972285000000, 0.571240265000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 87 coordinates: [ 0.172955305000000, 0.985972285000000, 0.571240265000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 88 coordinates: [ 0.672955305000000, 0.985972285000000, 0.571240265000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 89 coordinates: [ 0.327044695000000, 0.313016975000000, 0.321240265000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 90 coordinates: [ 0.827044695000000, 0.313016975000000, 0.321240265000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 91 coordinates: [ 0.327044695000000, 0.813016975000000, 0.321240265000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 92 coordinates: [ 0.827044695000000, 0.813016975000000, 0.321240265000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 93 coordinates: [ 0.327044695000000, 0.313016975000000, 0.821240265000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 94 coordinates: [ 0.827044695000000, 0.313016975000000, 0.821240265000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 95 coordinates: [ 0.327044695000000, 0.813016975000000, 0.821240265000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 96 coordinates: [ 0.827044695000000, 0.813016975000000, 0.821240265000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 97 coordinates: [ 0.014027715000000, 0.186983025000000, 0.071240265000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 98 coordinates: [ 0.514027715000000, 0.186983025000000, 0.071240265000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 99 coordinates: [ 0.014027715000000, 0.686983025000000, 0.071240265000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 100 coordinates: [ 0.514027715000000, 0.686983025000000, 0.071240265000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 101 coordinates: [ 0.014027715000000, 0.186983025000000, 0.571240265000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 102 coordinates: [ 0.514027715000000, 0.186983025000000, 0.571240265000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 103 coordinates: [ 0.014027715000000, 0.686983025000000, 0.571240265000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 104 coordinates: [ 0.514027715000000, 0.686983025000000, 0.571240265000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 105 coordinates: [ 0.313016975000000, 0.327044695000000, 0.071240265000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 106 coordinates: [ 0.813016975000000, 0.327044695000000, 0.071240265000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 107 coordinates: [ 0.313016975000000, 0.827044695000000, 0.071240265000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 108 coordinates: [ 0.813016975000000, 0.827044695000000, 0.071240265000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 109 coordinates: [ 0.313016975000000, 0.327044695000000, 0.571240265000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 110 coordinates: [ 0.813016975000000, 0.327044695000000, 0.571240265000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 111 coordinates: [ 0.313016975000000, 0.827044695000000, 0.571240265000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 112 coordinates: [ 0.813016975000000, 0.827044695000000, 0.571240265000000 ] mass: 18.998403 reduced_to: 105 - symbol: Al # 113 coordinates: [ 0.333333335000000, 0.166666665000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 113 - symbol: Al # 114 coordinates: [ 0.833333335000000, 0.166666665000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 113 - symbol: Al # 115 coordinates: [ 0.333333335000000, 0.666666665000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 113 - symbol: Al # 116 coordinates: [ 0.833333335000000, 0.666666665000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 113 - symbol: Al # 117 coordinates: [ 0.333333335000000, 0.166666665000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 113 - symbol: Al # 118 coordinates: [ 0.833333335000000, 0.166666665000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 113 - symbol: Al # 119 coordinates: [ 0.333333335000000, 0.666666665000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 113 - symbol: Al # 120 coordinates: [ 0.833333335000000, 0.666666665000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 113 - symbol: Al # 121 coordinates: [ 0.166666665000000, 0.333333335000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 121 - symbol: Al # 122 coordinates: [ 0.666666665000000, 0.333333335000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 121 - symbol: Al # 123 coordinates: [ 0.166666665000000, 0.833333335000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 121 - symbol: Al # 124 coordinates: [ 0.666666665000000, 0.833333335000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 121 - symbol: Al # 125 coordinates: [ 0.166666665000000, 0.333333335000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 121 - symbol: Al # 126 coordinates: [ 0.666666665000000, 0.333333335000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 121 - symbol: Al # 127 coordinates: [ 0.166666665000000, 0.833333335000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 121 - symbol: Al # 128 coordinates: [ 0.666666665000000, 0.833333335000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 121 - symbol: Ca # 129 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 129 - symbol: Ca # 130 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 129 - symbol: Ca # 131 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 129 - symbol: Ca # 132 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 129 - symbol: Ca # 133 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 129 - symbol: Ca # 134 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 129 - symbol: Ca # 135 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 129 - symbol: Ca # 136 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 129 - symbol: Ca # 137 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 137 - symbol: Ca # 138 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 137 - symbol: Ca # 139 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 137 - symbol: Ca # 140 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 137 - symbol: Ca # 141 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 137 - symbol: Ca # 142 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 137 - symbol: Ca # 143 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 137 - symbol: Ca # 144 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 137born_effective_charge:- # 1 (Li) - [ 1.112786130000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.112786130000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.951198270000000 ]- # 2 (Li) - [ 1.112786130000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.112786130000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.951198270000000 ]- # 3 (F) - [ -0.934721040000000, -0.025367020000000, 0.037766470000000 ] - [ -0.041725550000000, -1.159121840000000, -0.324129790000000 ] - [ 0.028304450000000, -0.318356610000000, -1.039208100000000 ]- # 4 (F) - [ -0.934721040117316, 0.025367020000000, 0.037766470000000 ] - [ 0.041725551037800, -1.159121839882684, 0.324129790174661 ] - [ 0.028304448527677, 0.318356610000000, -1.039208100000000 ]- # 5 (F) - [ -1.132073575388865, 0.072215988842754, 0.261821397890556 ] - [ 0.088574518783721, -0.961769304611135, -0.194771616805226 ] - [ 0.261552686973753, -0.183690677150781, -1.039208100000000 ]- # 6 (F) - [ -1.073969704437078, -0.122120804867088, -0.299587867890556 ] - [ -0.105762273893625, -1.019873175562922, -0.129358173369435 ] - [ -0.289857135501430, -0.134665932849219, -1.039208100000000 ]- # 7 (F) - [ -1.073969704437078, -0.122120804867088, -0.299587867890556 ] - [ -0.105762273893625, -1.019873175562922, -0.129358173369435 ] - [ -0.289857135501430, -0.134665932849219, -1.039208100000000 ]- # 8 (F) - [ -1.073969705001858, 0.122120804867088, -0.299587867890556 ] - [ 0.105762273643442, -1.019873174998142, 0.129358171983913 ] - [ -0.289857136124228, 0.134665932849219, -1.039208100000000 ]- # 9 (F) - [ -1.132073575054883, -0.072215988842754, 0.261821397890556 ] - [ -0.088574519571337, -0.961769304945117, 0.194771618016087 ] - [ 0.261552686124228, 0.183690677150781, -1.039208100000000 ]- # 10 (F) - [ -1.132073575388865, 0.072215988842754, 0.261821397890556 ] - [ 0.088574518783721, -0.961769304611135, -0.194771616805226 ] - [ 0.261552686973753, -0.183690677150781, -1.039208100000000 ]- # 11 (F) - [ -1.073969705001858, 0.122120804867088, -0.299587867890556 ] - [ 0.105762273643442, -1.019873174998142, 0.129358171983913 ] - [ -0.289857136124228, 0.134665932849219, -1.039208100000000 ]- # 12 (F) - [ -0.934721040117316, 0.025367020000000, 0.037766470000000 ] - [ 0.041725551037800, -1.159121839882684, 0.324129790174661 ] - [ 0.028304448527677, 0.318356610000000, -1.039208100000000 ]- # 13 (F) - [ -0.934721040000000, -0.025367020000000, 0.037766470000000 ] - [ -0.041725550000000, -1.159121840000000, -0.324129790000000 ] - [ 0.028304450000000, -0.318356610000000, -1.039208100000000 ]- # 14 (F) - [ -1.132073575054883, -0.072215988842754, 0.261821397890556 ] - [ -0.088574519571337, -0.961769304945117, 0.194771618016087 ] - [ 0.261552686124228, 0.183690677150781, -1.039208100000000 ]- # 15 (Al) - [ 2.834657240000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.834657240000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.764452260000000 ]- # 16 (Al) - [ 2.834657240000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.834657240000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.764452260000000 ]- # 17 (Ca) - [ 2.334085280000000, 0.052975550000000, 0.000000000000000 ] - [ -0.052975550000000, 2.334085280000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.519598070000000 ]- # 18 (Ca) - [ 2.334085280151405, -0.052975550262240, 0.000000000000000 ] - [ 0.052975549737759, 2.334085279848595, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.519598070000000 ]dielectric_constant: - [ 2.078794540000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.078794540000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.083360020000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0436207200000000, 0.0002386600000000, 0.0000068100000000 ] - [ 0.0026833100000000, 0.0000001800000000, -0.0001006700000000 ] - [ 0.0003510900000000, -0.0013486500000000, 0.0000478200000000 ] - [ 0.0003482500000000, 0.0013452300000000, 0.0000498000000000 ] - [ -0.0000223800000000, -0.0000009300000000, 0.0000005500000000 ] - [ 0.0000235200000000, 0.0000000400000000, -0.0000014800000000 ] - [ -0.0000017800000000, -0.0000139000000000, 0.0000041700000000 ] - [ -0.0000009200000000, 0.0000139500000000, 0.0000028300000000 ] - [ -0.0000170000000000, -0.0001933300000000, -0.0003617300000000 ] - [ 0.0001096100000000, 0.0001198900000000, 0.0003304000000000 ] - [ -0.0002270200000000, 0.0000729800000000, 0.0000281800000000 ] - [ 0.0002083600000000, 0.0000005400000000, -0.0000019500000000 ] - [ 0.0001083900000000, -0.0001201100000000, 0.0003313000000000 ] - [ -0.0000161400000000, 0.0001935500000000, -0.0003586700000000 ] - [ -0.0002243600000000, -0.0000727000000000, 0.0000300700000000 ] - [ 0.0002082400000000, 0.0000001000000000, 0.0000009800000000 ] - [ -0.0030613800000000, -0.0000633100000000, -0.0012091300000000 ] - [ 0.0035576900000000, 0.0003883500000000, -0.0001173300000000 ] - [ -0.0000012300000000, -0.0009730300000000, 0.0001401900000000 ] - [ -0.0000428800000000, 0.0008531300000000, 0.0003937800000000 ] - [ -0.0001102500000000, 0.0001463400000000, 0.0002419300000000 ] - [ -0.0000930100000000, 0.0001278100000000, 0.0002052800000000 ] - [ -0.0001010200000000, 0.0001316700000000, 0.0002253400000000 ] - [ -0.0001081800000000, 0.0001412400000000, 0.0002198400000000 ] - [ 0.0006455800000000, 0.0000980100000000, 0.0006462300000000 ] - [ -0.0005540500000000, -0.0001243400000000, 0.0000206500000000 ] - [ -0.0000216500000000, 0.0003818900000000, -0.0002432800000000 ] - [ -0.0003450100000000, -0.0009043800000000, 0.0008032500000000 ] - [ 0.0000869000000000, -0.0000621600000000, 0.0001129700000000 ] - [ -0.0002562800000000, -0.0002258500000000, 0.0003498000000000 ] - [ -0.0000693300000000, -0.0000664900000000, 0.0002867800000000 ] - [ -0.0001461400000000, -0.0001622400000000, 0.0001359500000000 ] - [ 0.0004826700000000, 0.0001055700000000, -0.0007645300000000 ] - [ -0.0008634900000000, 0.0003342300000000, 0.0010768800000000 ] - [ 0.0000729300000000, 0.0001105500000000, 0.0000543300000000 ] - [ -0.0000567400000000, 0.0000200800000000, 0.0002474300000000 ] - [ 0.0000111700000000, 0.0001728800000000, 0.0003751500000000 ] - [ -0.0001638100000000, 0.0001395900000000, 0.0001146400000000 ] - [ -0.0000854900000000, 0.0002638300000000, 0.0002423000000000 ] - [ -0.0000381700000000, 0.0000684900000000, 0.0001781400000000 ] - [ 0.0010632500000000, -0.0000950000000000, 0.0007982500000000 ] - [ -0.0005132900000000, -0.0000977300000000, -0.0001746400000000 ] - [ 0.0000850900000000, 0.0003157600000000, 0.0004230000000000 ] - [ 0.0001108000000000, -0.0004350200000000, -0.0001469400000000 ] - [ 0.0003547700000000, -0.0000769600000000, 0.0001837900000000 ] - [ 0.0000180600000000, 0.0000344000000000, 0.0002876000000000 ] - [ 0.0001046700000000, 0.0000412200000000, 0.0001396000000000 ] - [ 0.0002067800000000, -0.0001149500000000, 0.0002638500000000 ] - [ 0.0001983500000000, 0.0028501900000000, 0.0009318200000000 ] - [ -0.0015096800000000, -0.0013294200000000, -0.0007651500000000 ] - [ 0.0052583700000000, 0.0007310800000000, 0.0011972100000000 ] - [ -0.0017016000000000, -0.0006622000000000, -0.0005752800000000 ] - [ -0.0001663900000000, 0.0000306000000000, -0.0002348400000000 ] - [ -0.0001794800000000, 0.0000088700000000, -0.0002301400000000 ] - [ -0.0001398900000000, 0.0000271300000000, -0.0002115200000000 ] - [ -0.0001922600000000, 0.0000158000000000, -0.0002368200000000 ] - [ -0.0011709800000000, 0.0013729600000000, -0.0003195900000000 ] - [ 0.0005251200000000, -0.0027991300000000, 0.0013767000000000 ] - [ 0.0056313500000000, -0.0006232700000000, 0.0016892400000000 ] - [ -0.0013538400000000, 0.0007043600000000, -0.0001215600000000 ] - [ 0.0001606600000000, 0.0000316400000000, 0.0002211700000000 ] - [ 0.0001673800000000, 0.0000104000000000, 0.0002168800000000 ] - [ 0.0001898600000000, 0.0000146300000000, 0.0002354600000000 ] - [ 0.0001453300000000, 0.0000257200000000, 0.0002155000000000 ] - [ 0.0055078000000000, 0.0009022700000000, -0.0006858300000000 ] - [ -0.0028164100000000, -0.0012856400000000, 0.0008540500000000 ] - [ 0.0009082000000000, 0.0011975500000000, 0.0005069900000000 ] - [ -0.0007672900000000, -0.0008335000000000, 0.0004077300000000 ] - [ -0.0000497600000000, -0.0001478300000000, 0.0002246900000000 ] - [ -0.0000826300000000, -0.0001597800000000, 0.0002199600000000 ] - [ -0.0000531300000000, -0.0001487900000000, 0.0002102500000000 ] - [ -0.0000838500000000, -0.0001716900000000, 0.0002373000000000 ] - [ -0.0026868600000000, 0.0009719200000000, 0.0004052500000000 ] - [ 0.0055316600000000, -0.0013295000000000, -0.0011997300000000 ] - [ 0.0010476800000000, -0.0015129200000000, 0.0000529400000000 ] - [ -0.0006390000000000, 0.0005155800000000, -0.0000405700000000 ] - [ 0.0000498000000000, -0.0001520600000000, -0.0002314800000000 ] - [ 0.0000808500000000, -0.0001611300000000, -0.0002266000000000 ] - [ 0.0000800900000000, -0.0001644000000000, -0.0002412800000000 ] - [ 0.0000520800000000, -0.0001433000000000, -0.0002149600000000 ] - [ 0.0000141500000000, 0.0000338600000000, -0.0002674300000000 ] - [ -0.0003186700000000, -0.0000803100000000, -0.0001564400000000 ] - [ -0.0001286200000000, 0.0000730600000000, -0.0001811500000000 ] - [ -0.0002344700000000, -0.0000844200000000, -0.0003072500000000 ] - [ 0.0007256200000000, 0.0000556000000000, 0.0003516800000000 ] - [ -0.0008432800000000, 0.0000530600000000, -0.0006237400000000 ] - [ -0.0002259700000000, 0.0003906500000000, -0.0005995600000000 ] - [ -0.0002566700000000, -0.0003575500000000, -0.0000335800000000 ] - [ 0.0043064100000000, -0.0001857000000000, -0.0008782000000000 ] - [ -0.0028386900000000, 0.0003379000000000, -0.0016479400000000 ] - [ 0.0002076600000000, 0.0012543600000000, -0.0003095700000000 ] - [ 0.0001621000000000, -0.0005862000000000, -0.0000526000000000 ] - [ 0.0001142400000000, 0.0001468500000000, -0.0002474900000000 ] - [ 0.0000919100000000, 0.0001249300000000, -0.0002083900000000 ] - [ 0.0001050100000000, 0.0001409200000000, -0.0002276300000000 ] - [ 0.0000968500000000, 0.0001317500000000, -0.0002345000000000 ] - [ 0.0002916900000000, -0.0002086200000000, -0.0003356700000000 ] - [ -0.0000451100000000, -0.0000455300000000, -0.0000981000000000 ] - [ 0.0000611200000000, -0.0001090300000000, -0.0003114900000000 ] - [ 0.0001369600000000, -0.0002045800000000, -0.0001599100000000 ] - [ 0.0008456600000000, -0.0003693800000000, 0.0001947000000000 ] - [ -0.0003456500000000, -0.0001469200000000, -0.0004332700000000 ] - [ -0.0001375600000000, 0.0006306300000000, 0.0003491300000000 ] - [ 0.0001897300000000, -0.0006547600000000, -0.0006965500000000 ] - [ 0.0001442800000000, 0.0001447600000000, -0.0000732900000000 ] - [ -0.0000368500000000, 0.0001702900000000, -0.0003300100000000 ] - [ 0.0000945800000000, 0.0002446100000000, -0.0002691200000000 ] - [ 0.0000424900000000, 0.0000447200000000, -0.0002026600000000 ] - [ 0.0006182700000000, 0.0002077800000000, -0.0012160300000000 ] - [ -0.0007313100000000, -0.0000205200000000, 0.0006237500000000 ] - [ 0.0000742600000000, 0.0002947600000000, -0.0002058600000000 ] - [ 0.0002024600000000, 0.0001991600000000, -0.0003963200000000 ] - [ 0.0135100600000000, -0.0120892700000000, 0.0014994000000000 ] - [ 0.0134143400000000, 0.0119542900000000, 0.0014892700000000 ] - [ -0.0073591300000000, -0.0000414000000000, -0.0029980300000000 ] - [ 0.0017145500000000, 0.0000038700000000, -0.0000027400000000 ] - [ -0.0000024300000000, -0.0000238900000000, 0.0000029800000000 ] - [ -0.0000008600000000, 0.0000239900000000, 0.0000037600000000 ] - [ -0.0000445600000000, 0.0000017700000000, 0.0000078000000000 ] - [ 0.0000425900000000, 0.0000014700000000, 0.0000065000000000 ] - [ -0.0013980000000000, -0.0000746600000000, -0.0000030500000000 ] - [ 0.0011192000000000, 0.0000506100000000, -0.0001283000000000 ] - [ -0.0000096300000000, -0.0005857600000000, 0.0001274100000000 ] - [ 0.0000039200000000, 0.0007138300000000, -0.0000110600000000 ] - [ -0.0013959900000000, 0.0000742300000000, 0.0000005300000000 ] - [ 0.0011192900000000, -0.0000520200000000, -0.0001187800000000 ] - [ 0.0000036300000000, -0.0007114600000000, -0.0000060300000000 ] - [ -0.0000099500000000, 0.0005833000000000, 0.0001316000000000 ] - [ -0.0000600200000000, 0.0000081600000000, 0.0000201600000000 ] - [ 0.0000580600000000, -0.0000269800000000, 0.0000011400000000 ] - [ 0.0000053000000000, -0.0000257700000000, 0.0001231600000000 ] - [ 0.0000016200000000, 0.0000480000000000, -0.0001397100000000 ] - [ -0.0033066800000000, -0.0008601300000000, 0.0007833600000000 ] - [ 0.0014030200000000, 0.0003464400000000, -0.0000013600000000 ] - [ 0.0021563800000000, -0.0040579100000000, -0.0043644500000000 ] - [ 0.0021842000000000, 0.0022783000000000, 0.0035882600000000 ] - [ -0.0033133900000000, 0.0008746700000000, 0.0007886800000000 ] - [ 0.0014020300000000, -0.0003516900000000, -0.0000065100000000 ] - [ 0.0022036700000000, -0.0022583000000000, 0.0035715700000000 ] - [ 0.0021563800000000, 0.0040724300000000, -0.0043860200000000 ] - [ -0.0000605400000000, -0.0000063700000000, 0.0000227700000000 ] - [ 0.0000588000000000, 0.0000277700000000, 0.0000050500000000 ] - [ -0.0000012800000000, -0.0000449900000000, -0.0001376400000000 ] - [ 0.0000018700000000, 0.0000260800000000, 0.0001274900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0265538400000000 ] - [ -0.0000986700000000, 0.0000003800000000, -0.0014730500000000 ] - [ 0.0000490000000000, -0.0000856400000000, -0.0014730500000000 ] - [ 0.0000496700000000, 0.0000852600000000, -0.0014730500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005151600000000 ] - [ -0.0000050700000000, 0.0000002500000000, 0.0004617300000000 ] - [ 0.0000023200000000, -0.0000045200000000, 0.0004617300000000 ] - [ 0.0000027600000000, 0.0000042700000000, 0.0004617300000000 ] - [ -0.0003588800000000, 0.0001733000000000, 0.0005188100000000 ] - [ 0.0003295200000000, 0.0002241500000000, 0.0005188100000000 ] - [ 0.0000293600000000, -0.0003974500000000, 0.0005188100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002805400000000 ] - [ 0.0003315400000000, -0.0002269200000000, 0.0005203400000000 ] - [ -0.0003622800000000, -0.0001736600000000, 0.0005203400000000 ] - [ 0.0000307500000000, 0.0004005800000000, 0.0005203400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002807800000000 ] - [ -0.0010527900000000, 0.0003471900000000, 0.0024299900000000 ] - [ -0.0001597200000000, 0.0014349100000000, 0.0074351400000000 ] - [ -0.0001461300000000, -0.0008213800000000, 0.0013164100000000 ] - [ -0.0001315200000000, 0.0008644800000000, 0.0014738200000000 ] - [ -0.0000741100000000, -0.0000244200000000, -0.0002866300000000 ] - [ -0.0001001400000000, -0.0000300000000000, -0.0003113600000000 ] - [ -0.0000879400000000, -0.0000065800000000, -0.0002660100000000 ] - [ -0.0000810300000000, -0.0000336600000000, -0.0002835300000000 ] - [ 0.0001436200000000, -0.0004720100000000, -0.0009761400000000 ] - [ -0.0002219100000000, -0.0002204200000000, 0.0001444900000000 ] - [ -0.0002434600000000, 0.0003279600000000, -0.0002084500000000 ] - [ 0.0000467100000000, 0.0001593000000000, -0.0000833600000000 ] - [ -0.0001580600000000, 0.0002033900000000, -0.0005561400000000 ] - [ -0.0000356600000000, 0.0000429100000000, -0.0001998400000000 ] - [ -0.0000265700000000, -0.0001301300000000, -0.0002015100000000 ] - [ -0.0001264700000000, -0.0000183400000000, -0.0002002900000000 ] - [ -0.0004805800000000, 0.0001116300000000, -0.0009761400000000 ] - [ 0.0004057500000000, 0.0000468600000000, -0.0002084500000000 ] - [ 0.0001146000000000, -0.0001201000000000, -0.0000833600000000 ] - [ -0.0000799300000000, 0.0003023900000000, 0.0001444900000000 ] - [ 0.0002551700000000, 0.0000351900000000, -0.0005561400000000 ] - [ -0.0000994100000000, 0.0000880700000000, -0.0002015100000000 ] - [ 0.0000473500000000, 0.0001186900000000, -0.0002002900000000 ] - [ 0.0000549900000000, 0.0000094200000000, -0.0001998400000000 ] - [ 0.0003369600000000, 0.0003603800000000, -0.0009761400000000 ] - [ -0.0001613100000000, -0.0000392000000000, -0.0000833600000000 ] - [ 0.0003018400000000, -0.0000819700000000, 0.0001444900000000 ] - [ -0.0001622900000000, -0.0003748200000000, -0.0002084500000000 ] - [ -0.0000971100000000, -0.0002385800000000, -0.0005561400000000 ] - [ 0.0000791200000000, -0.0001003500000000, -0.0002002900000000 ] - [ -0.0000193300000000, -0.0000523300000000, -0.0001998400000000 ] - [ 0.0001259800000000, 0.0000420500000000, -0.0002015100000000 ] - [ 0.0004953800000000, -0.0006968300000000, 0.0019700900000000 ] - [ -0.0009771300000000, -0.0004939000000000, 0.0008594600000000 ] - [ 0.0009027800000000, 0.0007961200000000, 0.0068618700000000 ] - [ 0.0004815500000000, 0.0003565400000000, 0.0010148000000000 ] - [ -0.0003173400000000, -0.0000396900000000, -0.0007480400000000 ] - [ -0.0002946500000000, -0.0000408700000000, -0.0007257800000000 ] - [ -0.0003082300000000, -0.0000625500000000, -0.0007718700000000 ] - [ -0.0003207300000000, -0.0000488000000000, -0.0007429500000000 ] - [ -0.0006382700000000, 0.0005372400000000, 0.0013164100000000 ] - [ 0.0008270700000000, 0.0007381500000000, 0.0024299900000000 ] - [ 0.0013225300000000, -0.0005791300000000, 0.0074351400000000 ] - [ 0.0008144200000000, -0.0003183500000000, 0.0014738200000000 ] - [ 0.0000382700000000, 0.0000794500000000, -0.0002660100000000 ] - [ 0.0000159100000000, 0.0000763900000000, -0.0002866300000000 ] - [ 0.0000240900000000, 0.0001017300000000, -0.0003113600000000 ] - [ 0.0000113600000000, 0.0000870000000000, -0.0002835300000000 ] - [ -0.0011628100000000, -0.0008557800000000, 0.0074351400000000 ] - [ 0.0007844000000000, 0.0002841400000000, 0.0013164100000000 ] - [ 0.0002257200000000, -0.0010853300000000, 0.0024299900000000 ] - [ -0.0006829100000000, -0.0005461400000000, 0.0014738200000000 ] - [ 0.0000760500000000, -0.0000717200000000, -0.0003113600000000 ] - [ 0.0000496700000000, -0.0000728700000000, -0.0002660100000000 ] - [ 0.0000582000000000, -0.0000519700000000, -0.0002866300000000 ] - [ 0.0000696600000000, -0.0000533400000000, -0.0002835300000000 ] - [ 0.0009162900000000, -0.0005992700000000, 0.0008594600000000 ] - [ -0.0011408500000000, 0.0003837700000000, 0.0068618700000000 ] - [ 0.0003557800000000, 0.0007774300000000, 0.0019700900000000 ] - [ -0.0005495500000000, 0.0002387700000000, 0.0010148000000000 ] - [ 0.0001827200000000, -0.0002347400000000, -0.0007257800000000 ] - [ 0.0002082900000000, -0.0002356600000000, -0.0007718700000000 ] - [ 0.0001930400000000, -0.0002549800000000, -0.0007480400000000 ] - [ 0.0002026300000000, -0.0002533600000000, -0.0007429500000000 ] - [ -0.0004287400000000, 0.0001942100000000, -0.0010077900000000 ] - [ -0.0002531800000000, 0.0000583800000000, -0.0006546700000000 ] - [ -0.0002072700000000, -0.0000844900000000, -0.0006557000000000 ] - [ -0.0003515300000000, 0.0000109300000000, -0.0006541000000000 ] - [ 0.0000066000000000, -0.0004061700000000, -0.0014415600000000 ] - [ -0.0004948100000000, -0.0000012800000000, -0.0005400800000000 ] - [ -0.0004939400000000, 0.0003364200000000, -0.0006649500000000 ] - [ -0.0000316300000000, 0.0000409400000000, -0.0003137800000000 ] - [ 0.0002380700000000, -0.0011798900000000, 0.0068618700000000 ] - [ -0.0008511600000000, -0.0000806000000000, 0.0019700900000000 ] - [ 0.0000608400000000, 0.0010931700000000, 0.0008594600000000 ] - [ 0.0000680000000000, -0.0005953100000000, 0.0010148000000000 ] - [ 0.0000999400000000, 0.0002982100000000, -0.0007718700000000 ] - [ 0.0001243000000000, 0.0002946700000000, -0.0007480400000000 ] - [ 0.0001119300000000, 0.0002756100000000, -0.0007257800000000 ] - [ 0.0001181000000000, 0.0003021600000000, -0.0007429500000000 ] - [ 0.0000461800000000, -0.0004684100000000, -0.0010077900000000 ] - [ 0.0001662900000000, -0.0003099000000000, -0.0006541000000000 ] - [ 0.0000760300000000, -0.0002484500000000, -0.0006546700000000 ] - [ 0.0001768000000000, -0.0001372500000000, -0.0006557000000000 ] - [ 0.0003484500000000, 0.0002088000000000, -0.0014415600000000 ] - [ -0.0000196400000000, -0.0000478700000000, -0.0003137800000000 ] - [ 0.0002485100000000, -0.0004278800000000, -0.0005400800000000 ] - [ -0.0000443800000000, -0.0005959800000000, -0.0006649500000000 ] - [ 0.0003825600000000, 0.0002741900000000, -0.0010077900000000 ] - [ 0.0000304700000000, 0.0002217400000000, -0.0006557000000000 ] - [ 0.0001852300000000, 0.0002989600000000, -0.0006541000000000 ] - [ 0.0001771500000000, 0.0001900700000000, -0.0006546700000000 ] - [ -0.0003550500000000, 0.0001973600000000, -0.0014415600000000 ] - [ 0.0005383200000000, 0.0002595500000000, -0.0006649500000000 ] - [ 0.0000512700000000, 0.0000069200000000, -0.0003137800000000 ] - [ 0.0002463000000000, 0.0004291600000000, -0.0005400800000000 ] - [ 0.0015185700000000, 0.0026970100000000, -0.0119286100000000 ] - [ 0.0015764000000000, -0.0026636200000000, -0.0119286100000000 ] - [ -0.0030949600000000, -0.0000333900000000, -0.0119286100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036045800000000 ] - [ -0.0000013800000000, -0.0000005500000000, 0.0013837200000000 ] - [ 0.0000002200000000, 0.0000014700000000, 0.0013837200000000 ] - [ 0.0000011600000000, -0.0000009200000000, 0.0013837200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013466500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030104500000000 ] - [ -0.0001228800000000, 0.0000952600000000, 0.0009068200000000 ] - [ -0.0000210600000000, -0.0001540500000000, 0.0009068200000000 ] - [ 0.0001439400000000, 0.0000587900000000, 0.0009068200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030358000000000 ] - [ -0.0001222400000000, -0.0000945800000000, 0.0009113700000000 ] - [ 0.0001430300000000, -0.0000585700000000, 0.0009113700000000 ] - [ -0.0000207900000000, 0.0001531500000000, 0.0009113700000000 ] - [ -0.0000158000000000, 0.0001534700000000, 0.0012907500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011234000000000 ] - [ 0.0001408100000000, -0.0000630600000000, 0.0012907500000000 ] - [ -0.0001250100000000, -0.0000904200000000, 0.0012907500000000 ] - [ -0.0006509900000000, -0.0042366000000000, 0.0010221800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007072900000000 ] - [ -0.0033435100000000, 0.0026820700000000, 0.0010221800000000 ] - [ 0.0039945000000000, 0.0015545200000000, 0.0010221800000000 ] - [ -0.0006584500000000, 0.0042179100000000, 0.0010271000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007065200000000 ] - [ 0.0039820500000000, -0.0015387200000000, 0.0010271000000000 ] - [ -0.0033236000000000, -0.0026791900000000, 0.0010271000000000 ] - [ -0.0000153000000000, -0.0001542000000000, 0.0012979600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011274300000000 ] - [ -0.0001258900000000, 0.0000903500000000, 0.0012979600000000 ] - [ 0.0001411900000000, 0.0000638500000000, 0.0012979600000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0029523200000000, 0.0009117200000000, -0.0009453900000000 ] - [ 0.0042117500000000, -0.0001629200000000, -0.0001334300000000 ] - [ 0.0001002900000000, -0.0005303700000000, -0.0000472200000000 ] - [ 0.0000618800000000, 0.0002381000000000, -0.0000333800000000 ] - [ -0.0000073000000000, 0.0000016500000000, 0.0000273600000000 ] - [ 0.0000089600000000, -0.0000070700000000, 0.0000018600000000 ] - [ 0.0000044600000000, -0.0000069300000000, 0.0000145800000000 ] - [ -0.0000045700000000, 0.0000083500000000, 0.0000207400000000 ] - [ 0.0001891300000000, -0.0000501400000000, -0.0000606000000000 ] - [ -0.0001504700000000, 0.0000115500000000, 0.0000640300000000 ] - [ -0.0000394100000000, 0.0001216800000000, -0.0000282100000000 ] - [ 0.0000349200000000, -0.0000904100000000, 0.0000724100000000 ] - [ 0.0007439700000000, -0.0001645300000000, 0.0002511400000000 ] - [ -0.0004491100000000, 0.0001324200000000, -0.0001200700000000 ] - [ -0.0002426700000000, 0.0001763700000000, 0.0001502200000000 ] - [ 0.0000849800000000, -0.0003327200000000, -0.0001414200000000 ] - [ -0.0656208100000000, -0.0196952300000000, -0.0081180200000000 ] - [ 0.0017928100000000, 0.0002048500000000, 0.0002386400000000 ] - [ -0.0000873000000000, -0.0009159300000000, 0.0000383000000000 ] - [ -0.0000550400000000, 0.0016518500000000, 0.0005897300000000 ] - [ -0.0001221500000000, 0.0001328100000000, 0.0002103600000000 ] - [ -0.0000826600000000, 0.0001279100000000, 0.0002109100000000 ] - [ -0.0001022700000000, 0.0001161200000000, 0.0002030100000000 ] - [ -0.0001097300000000, 0.0001456300000000, 0.0002164100000000 ] - [ -0.0000000700000000, -0.0000695400000000, 0.0006435100000000 ] - [ -0.0000585100000000, -0.0000720500000000, -0.0000990500000000 ] - [ -0.0000310100000000, -0.0000964300000000, 0.0001577500000000 ] - [ -0.0002355600000000, -0.0002591200000000, 0.0003010200000000 ] - [ -0.0000607100000000, 0.0000711700000000, -0.0001498600000000 ] - [ -0.0000082800000000, -0.0002743600000000, 0.0005673500000000 ] - [ -0.0000369200000000, -0.0001643300000000, 0.0002542100000000 ] - [ -0.0002354600000000, -0.0000420900000000, 0.0001096400000000 ] - [ 0.0002195700000000, 0.0000964800000000, 0.0001938900000000 ] - [ -0.0004435100000000, 0.0002523900000000, 0.0002086000000000 ] - [ -0.0001214000000000, 0.0003013300000000, 0.0002809100000000 ] - [ 0.0000715600000000, -0.0000651900000000, 0.0000637600000000 ] - [ 0.0002136700000000, 0.0001136900000000, 0.0000925000000000 ] - [ -0.0004381800000000, 0.0002567400000000, 0.0005017300000000 ] - [ -0.0000876800000000, 0.0002744000000000, 0.0001954400000000 ] - [ 0.0000186500000000, -0.0000261900000000, 0.0000886500000000 ] - [ 0.0002405100000000, -0.0001493300000000, 0.0004995600000000 ] - [ 0.0001698800000000, 0.0000087300000000, -0.0000282200000000 ] - [ -0.0000793700000000, -0.0000798100000000, 0.0000852200000000 ] - [ 0.0003441400000000, -0.0000012300000000, 0.0002709800000000 ] - [ 0.0002148700000000, -0.0001733500000000, -0.0000905000000000 ] - [ 0.0002488100000000, 0.0001036500000000, 0.0004893700000000 ] - [ -0.0000028500000000, -0.0000949500000000, 0.0001937900000000 ] - [ 0.0002699500000000, -0.0000402900000000, 0.0002150900000000 ] - [ -0.0008069500000000, 0.0014962200000000, 0.0008656300000000 ] - [ 0.0003839400000000, -0.0005421100000000, -0.0006035500000000 ] - [ 0.0007246600000000, -0.0003468900000000, 0.0002671700000000 ] - [ -0.0008145200000000, 0.0025671500000000, -0.0029587500000000 ] - [ -0.0001992900000000, 0.0000299800000000, -0.0002612600000000 ] - [ -0.0001488500000000, 0.0000069200000000, -0.0002298500000000 ] - [ -0.0001394400000000, 0.0000079100000000, -0.0002495200000000 ] - [ -0.0001957700000000, 0.0000326400000000, -0.0002335100000000 ] - [ -0.0040554800000000, 0.0004180200000000, 0.0000443800000000 ] - [ 0.0016899100000000, -0.0002411300000000, 0.0005441900000000 ] - [ 0.0024765000000000, -0.0027948900000000, 0.0007514400000000 ] - [ 0.0038215200000000, 0.0042511000000000, 0.0001513000000000 ] - [ 0.0001457600000000, 0.0000251300000000, 0.0002034700000000 ] - [ 0.0001827400000000, 0.0000242000000000, 0.0002167600000000 ] - [ 0.0001631000000000, 0.0000172400000000, 0.0002118200000000 ] - [ 0.0001605000000000, 0.0000297600000000, 0.0002083600000000 ] - [ 0.0161709200000000, 0.0112794300000000, -0.0001401900000000 ] - [ 0.0057279300000000, -0.0031581700000000, -0.0004107800000000 ] - [ 0.0007624100000000, -0.0002910300000000, 0.0000879600000000 ] - [ -0.0015045600000000, 0.0005075900000000, 0.0008641700000000 ] - [ -0.0000660500000000, -0.0001511200000000, 0.0002142400000000 ] - [ -0.0000537800000000, -0.0001577200000000, 0.0002074500000000 ] - [ -0.0000516000000000, -0.0001578800000000, 0.0002070900000000 ] - [ -0.0000687700000000, -0.0001490400000000, 0.0002105700000000 ] - [ -0.0018415300000000, -0.0056917600000000, -0.0088810000000000 ] - [ 0.0014919200000000, -0.0000043500000000, -0.0000042200000000 ] - [ -0.0001633500000000, -0.0007862700000000, 0.0000500100000000 ] - [ 0.0005812700000000, 0.0005202400000000, -0.0006252200000000 ] - [ 0.0000341100000000, -0.0001626700000000, -0.0002138600000000 ] - [ 0.0001026600000000, -0.0001611800000000, -0.0002690500000000 ] - [ 0.0000700500000000, -0.0001684900000000, -0.0002603200000000 ] - [ 0.0000663400000000, -0.0001452100000000, -0.0002328500000000 ] - [ -0.0000948600000000, -0.0000463100000000, -0.0001683200000000 ] - [ -0.0002340900000000, 0.0000005600000000, -0.0002987400000000 ] - [ -0.0002182500000000, 0.0000223700000000, -0.0002422700000000 ] - [ -0.0001386800000000, -0.0000506600000000, -0.0002557000000000 ] - [ 0.0004955700000000, -0.0002365300000000, -0.0002178000000000 ] - [ -0.0010459700000000, 0.0007585700000000, 0.0005261600000000 ] - [ -0.0006067300000000, 0.0004241700000000, -0.0007059500000000 ] - [ 0.0002166000000000, -0.0004629600000000, 0.0001004400000000 ] - [ 0.0046133500000000, -0.0004588000000000, 0.0117201800000000 ] - [ 0.0019106000000000, 0.0001480900000000, -0.0012594700000000 ] - [ 0.0001077600000000, -0.0002959800000000, -0.0000402600000000 ] - [ 0.0001112100000000, 0.0008113200000000, -0.0003296700000000 ] - [ 0.0000818300000000, 0.0001474800000000, -0.0002689000000000 ] - [ 0.0001290200000000, 0.0001307300000000, -0.0002136300000000 ] - [ 0.0001053000000000, 0.0001142500000000, -0.0002298400000000 ] - [ 0.0001047500000000, 0.0001632800000000, -0.0002657600000000 ] - [ 0.0001778700000000, -0.0001203700000000, -0.0001694800000000 ] - [ 0.0000461900000000, -0.0001474900000000, -0.0002936100000000 ] - [ 0.0001105400000000, -0.0001086800000000, -0.0002477000000000 ] - [ 0.0000980000000000, -0.0001875500000000, -0.0002437000000000 ] - [ 0.0006728800000000, -0.0002041400000000, -0.0006420900000000 ] - [ -0.0003036900000000, -0.0005578300000000, 0.0015825600000000 ] - [ 0.0001903900000000, 0.0002620200000000, 0.0000204000000000 ] - [ 0.0005266800000000, -0.0013000900000000, -0.0011649000000000 ] - [ -0.0000014800000000, 0.0001356700000000, -0.0001190700000000 ] - [ 0.0001298900000000, 0.0001796600000000, -0.0003390700000000 ] - [ 0.0000673700000000, 0.0001458900000000, -0.0002601800000000 ] - [ 0.0000720800000000, 0.0001717900000000, -0.0002330700000000 ] - [ 0.0005930800000000, 0.0001831600000000, -0.0019128000000000 ] - [ 0.0004774000000000, 0.0002056600000000, 0.0004149100000000 ] - [ -0.0001146300000000, -0.0001130400000000, -0.0000156600000000 ] - [ 0.0002345500000000, 0.0004658100000000, -0.0005035900000000 ] - [ 0.0317620700000000, 0.0182176000000000, 0.0143079600000000 ] - [ -0.0051481900000000, 0.0008100800000000, 0.0012538000000000 ] - [ -0.0012408700000000, 0.0025230500000000, -0.0010408500000000 ] - [ 0.0003134100000000, -0.0048509000000000, 0.0008434400000000 ] - [ 0.0000662000000000, -0.0000100400000000, 0.0000468600000000 ] - [ -0.0000634000000000, 0.0000147900000000, 0.0000346400000000 ] - [ -0.0000216300000000, 0.0000348300000000, 0.0000607900000000 ] - [ 0.0000214200000000, -0.0000345300000000, 0.0000388900000000 ] - [ -0.0003222200000000, 0.0000781400000000, -0.0004395900000000 ] - [ 0.0002320100000000, -0.0000590100000000, 0.0004347800000000 ] - [ 0.0001129800000000, -0.0000229100000000, 0.0000728300000000 ] - [ -0.0001190400000000, 0.0000565200000000, 0.0000577600000000 ] - [ -0.0011216700000000, 0.0002011500000000, 0.0012009500000000 ] - [ 0.0000200300000000, -0.0004103100000000, -0.0018792400000000 ] - [ 0.0002674100000000, -0.0004507800000000, 0.0000697700000000 ] - [ 0.0000147900000000, 0.0007111000000000, 0.0003399600000000 ] - [ -0.0000061800000000, -0.0000389400000000, -0.0000043100000000 ] - [ 0.0000068100000000, 0.0000278700000000, 0.0000808400000000 ] - [ -0.0000615100000000, -0.0000089600000000, 0.0000538400000000 ] - [ 0.0000633700000000, 0.0000228700000000, 0.0000131700000000 ] - [ -0.0018158900000000, -0.0028673800000000, 0.0018779600000000 ] - [ 0.0001363200000000, 0.0039705200000000, -0.0016650400000000 ] - [ -0.0027066900000000, -0.0005421500000000, -0.0010035300000000 ] - [ 0.0086620700000000, -0.0070128400000000, -0.0060714500000000 ] - [ -0.0006674200000000, -0.0009524900000000, -0.0006959100000000 ] - [ -0.0001715400000000, 0.0012607500000000, 0.0010497100000000 ] - [ -0.0011717000000000, -0.0003188700000000, 0.0005352600000000 ] - [ 0.0024152600000000, 0.0014722200000000, -0.0009260600000000 ] - [ -0.0000366000000000, -0.0001089200000000, 0.0001787200000000 ] - [ 0.0000099100000000, 0.0001714900000000, -0.0001020800000000 ] - [ -0.0001881900000000, -0.0000151800000000, -0.0000476800000000 ] - [ 0.0002183500000000, -0.0000475200000000, 0.0001410000000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0029522400000000, -0.0009181900000000, 0.0009555400000000 ] - [ -0.0036635500000000, 0.0002296400000000, -0.0002059500000000 ] - [ -0.0001083000000000, 0.0005145300000000, 0.0000407400000000 ] - [ -0.0000606800000000, -0.0002309700000000, 0.0000322400000000 ] - [ 0.0000092200000000, -0.0000033100000000, -0.0000231900000000 ] - [ -0.0000074100000000, 0.0000050200000000, 0.0000014300000000 ] - [ -0.0000046800000000, 0.0000053300000000, -0.0000132900000000 ] - [ 0.0000058500000000, -0.0000083300000000, -0.0000186800000000 ] - [ -0.0001909500000000, 0.0000517000000000, 0.0000568200000000 ] - [ 0.0001499700000000, -0.0000129300000000, -0.0000675300000000 ] - [ 0.0000378700000000, -0.0001220400000000, 0.0000236000000000 ] - [ -0.0000368000000000, 0.0000917100000000, -0.0000759000000000 ] - [ -0.0007470100000000, 0.0001646600000000, -0.0002460900000000 ] - [ 0.0004471400000000, -0.0001310000000000, 0.0001195800000000 ] - [ 0.0002410200000000, -0.0001779100000000, -0.0001464500000000 ] - [ -0.0000854700000000, 0.0003317200000000, 0.0001433700000000 ] - [ 0.0652023600000000, 0.0206740200000000, 0.0095758000000000 ] - [ -0.0020026000000000, 0.0000649800000000, 0.0002128100000000 ] - [ -0.0001298700000000, 0.0011837400000000, 0.0004113500000000 ] - [ -0.0001493300000000, -0.0013821500000000, -0.0001410800000000 ] - [ -0.0000828800000000, 0.0001332800000000, 0.0002365600000000 ] - [ -0.0001215600000000, 0.0001410200000000, 0.0002373100000000 ] - [ -0.0001075000000000, 0.0001518400000000, 0.0002476600000000 ] - [ -0.0001005600000000, 0.0001284800000000, 0.0002399200000000 ] - [ -0.0002035100000000, -0.0001974600000000, -0.0001854300000000 ] - [ -0.0001461000000000, -0.0001949300000000, 0.0005547100000000 ] - [ -0.0001745500000000, -0.0001671000000000, 0.0002967700000000 ] - [ 0.0000243900000000, -0.0000067100000000, 0.0001542700000000 ] - [ -0.0001463900000000, -0.0003321700000000, 0.0005934200000000 ] - [ -0.0002052700000000, 0.0000112900000000, -0.0001219100000000 ] - [ -0.0001758600000000, -0.0000957400000000, 0.0001900100000000 ] - [ 0.0000258700000000, -0.0002220300000000, 0.0003358200000000 ] - [ -0.0003468800000000, 0.0002105000000000, 0.0002607000000000 ] - [ 0.0003151000000000, 0.0000522200000000, 0.0002507900000000 ] - [ -0.0000040900000000, 0.0000052500000000, 0.0001762500000000 ] - [ -0.0001990100000000, 0.0003747000000000, 0.0003921300000000 ] - [ -0.0003351900000000, 0.0001950800000000, 0.0003536600000000 ] - [ 0.0003174600000000, 0.0000525600000000, -0.0000570700000000 ] - [ -0.0000339400000000, 0.0000324900000000, 0.0002475300000000 ] - [ -0.0001412500000000, 0.0003420100000000, 0.0003579000000000 ] - [ 0.0000939400000000, 0.0001092400000000, -0.0000451700000000 ] - [ 0.0001629800000000, -0.0000532800000000, 0.0004834100000000 ] - [ 0.0004169900000000, 0.0000356000000000, 0.0003740800000000 ] - [ -0.0000080500000000, -0.0000503600000000, 0.0001856300000000 ] - [ 0.0001247800000000, 0.0001181600000000, 0.0005383900000000 ] - [ 0.0000837700000000, -0.0001557800000000, -0.0000462100000000 ] - [ 0.0003370800000000, 0.0000468200000000, 0.0002487500000000 ] - [ 0.0000628300000000, -0.0000076500000000, 0.0002300900000000 ] - [ 0.0004912000000000, -0.0014451100000000, -0.0013075100000000 ] - [ -0.0007259000000000, 0.0005888900000000, 0.0001481200000000 ] - [ -0.0010530700000000, 0.0003985700000000, -0.0007145800000000 ] - [ 0.0004619100000000, -0.0025217000000000, 0.0025046400000000 ] - [ -0.0001356200000000, 0.0000192800000000, -0.0001964500000000 ] - [ -0.0001858600000000, 0.0000367800000000, -0.0002268000000000 ] - [ -0.0001891800000000, 0.0000317500000000, -0.0002033600000000 ] - [ -0.0001355100000000, 0.0000072200000000, -0.0002216400000000 ] - [ 0.0043842000000000, -0.0002548700000000, 0.0004003700000000 ] - [ -0.0013534000000000, 0.0002846500000000, -0.0000936500000000 ] - [ -0.0021619000000000, 0.0028757400000000, -0.0003012000000000 ] - [ -0.0034373200000000, -0.0041392800000000, 0.0002944600000000 ] - [ 0.0001859000000000, 0.0000219400000000, 0.0002434500000000 ] - [ 0.0001518200000000, 0.0000195200000000, 0.0002349500000000 ] - [ 0.0001681100000000, 0.0000284600000000, 0.0002383800000000 ] - [ 0.0001672600000000, 0.0000111400000000, 0.0002399500000000 ] - [ -0.0166113800000000, -0.0118406900000000, 0.0005899900000000 ] - [ -0.0057607100000000, 0.0027874900000000, 0.0008509700000000 ] - [ -0.0008875700000000, -0.0000129300000000, 0.0003619300000000 ] - [ 0.0013691500000000, -0.0008238900000000, -0.0004141200000000 ] - [ -0.0000616300000000, -0.0001631000000000, 0.0002369700000000 ] - [ -0.0000746100000000, -0.0001532400000000, 0.0002425600000000 ] - [ -0.0000725900000000, -0.0001551100000000, 0.0002427800000000 ] - [ -0.0000600900000000, -0.0001566300000000, 0.0002363000000000 ] - [ 0.0018819300000000, 0.0054172500000000, 0.0084906400000000 ] - [ -0.0013674600000000, -0.0003084500000000, -0.0004481000000000 ] - [ 0.0002889500000000, 0.0004733500000000, -0.0005009000000000 ] - [ -0.0004562600000000, -0.0008309100000000, 0.0001721200000000 ] - [ 0.0000914800000000, -0.0001471300000000, -0.0002419500000000 ] - [ 0.0000257100000000, -0.0001442200000000, -0.0001872000000000 ] - [ 0.0000586300000000, -0.0001418000000000, -0.0001958500000000 ] - [ 0.0000654500000000, -0.0001746900000000, -0.0002306700000000 ] - [ -0.0002317400000000, 0.0000061300000000, -0.0002776000000000 ] - [ -0.0000962100000000, -0.0000454100000000, -0.0001483200000000 ] - [ -0.0001103400000000, -0.0000665500000000, -0.0002057300000000 ] - [ -0.0001994100000000, -0.0000034100000000, -0.0001914100000000 ] - [ -0.0008260700000000, 0.0001861100000000, -0.0002305500000000 ] - [ 0.0007138100000000, -0.0008070100000000, -0.0009684000000000 ] - [ 0.0002815100000000, -0.0004740000000000, 0.0002566100000000 ] - [ -0.0005498000000000, 0.0004124100000000, -0.0005486800000000 ] - [ -0.0044167800000000, 0.0007169000000000, -0.0122953300000000 ] - [ -0.0016915900000000, 0.0001149700000000, 0.0007976100000000 ] - [ 0.0000949200000000, 0.0005652700000000, -0.0004054300000000 ] - [ 0.0001010900000000, -0.0005511200000000, -0.0001179600000000 ] - [ 0.0001279100000000, 0.0001189500000000, -0.0001879700000000 ] - [ 0.0000778500000000, 0.0001357400000000, -0.0002438700000000 ] - [ 0.0001054200000000, 0.0001538600000000, -0.0002283100000000 ] - [ 0.0001020600000000, 0.0001052700000000, -0.0001936800000000 ] - [ 0.0000302100000000, -0.0001510300000000, -0.0002835600000000 ] - [ 0.0001601000000000, -0.0001212700000000, -0.0001535700000000 ] - [ 0.0000945100000000, -0.0001561300000000, -0.0001969200000000 ] - [ 0.0001071800000000, -0.0000767200000000, -0.0001991800000000 ] - [ -0.0004651000000000, -0.0000574400000000, 0.0002013100000000 ] - [ 0.0005036700000000, 0.0002909000000000, -0.0020297200000000 ] - [ 0.0000157700000000, -0.0005209700000000, -0.0004640200000000 ] - [ -0.0003136400000000, 0.0010243400000000, 0.0007049000000000 ] - [ 0.0001301100000000, 0.0001824300000000, -0.0003306900000000 ] - [ -0.0000036800000000, 0.0001334000000000, -0.0001084800000000 ] - [ 0.0000618500000000, 0.0001635900000000, -0.0001862200000000 ] - [ 0.0000544200000000, 0.0001439400000000, -0.0002180000000000 ] - [ -0.0004593400000000, 0.0001303300000000, 0.0014633800000000 ] - [ -0.0003581600000000, 0.0001052700000000, -0.0008560200000000 ] - [ 0.0002356700000000, 0.0004280200000000, -0.0004353600000000 ] - [ -0.0001119500000000, -0.0001611700000000, 0.0000586000000000 ] - [ -0.0319268000000000, -0.0190231200000000, -0.0149674400000000 ] - [ 0.0051304200000000, -0.0008004900000000, -0.0012341500000000 ] - [ 0.0012435400000000, -0.0025356900000000, 0.0010487100000000 ] - [ -0.0002927100000000, 0.0048322200000000, -0.0008317700000000 ] - [ -0.0000682300000000, 0.0000082600000000, -0.0000389900000000 ] - [ 0.0000629700000000, -0.0000137600000000, -0.0000260800000000 ] - [ 0.0000207600000000, -0.0000313600000000, -0.0000516400000000 ] - [ -0.0000175900000000, 0.0000397000000000, -0.0000331500000000 ] - [ 0.0003237500000000, -0.0000833200000000, 0.0004291600000000 ] - [ -0.0002271400000000, 0.0000614700000000, -0.0004487800000000 ] - [ -0.0001139300000000, 0.0000199400000000, -0.0000830600000000 ] - [ 0.0001247600000000, -0.0000529200000000, -0.0000685800000000 ] - [ 0.0011166900000000, -0.0001999800000000, -0.0011979100000000 ] - [ -0.0000106400000000, 0.0004129000000000, 0.0018781600000000 ] - [ -0.0002671600000000, 0.0004459600000000, -0.0000633600000000 ] - [ -0.0000111300000000, -0.0007081500000000, -0.0003337700000000 ] - [ 0.0000084100000000, 0.0000396100000000, -0.0000005400000000 ] - [ -0.0000066300000000, -0.0000283500000000, -0.0000844500000000 ] - [ 0.0000627100000000, 0.0000090300000000, -0.0000565700000000 ] - [ -0.0000625300000000, -0.0000216600000000, -0.0000119000000000 ] - [ 0.0018081100000000, 0.0028787300000000, -0.0018909200000000 ] - [ -0.0001067600000000, -0.0039518900000000, 0.0016617400000000 ] - [ 0.0026921100000000, 0.0005326800000000, 0.0009888800000000 ] - [ -0.0085868000000000, 0.0071295200000000, 0.0061647900000000 ] - [ 0.0006582000000000, 0.0009579400000000, 0.0006915300000000 ] - [ 0.0001861700000000, -0.0012689800000000, -0.0010676600000000 ] - [ 0.0011685600000000, 0.0003147000000000, -0.0005344600000000 ] - [ -0.0024172900000000, -0.0014646500000000, 0.0009091400000000 ] - [ 0.0000362100000000, 0.0001081000000000, -0.0001692200000000 ] - [ -0.0000098000000000, -0.0001714700000000, 0.0001110800000000 ] - [ 0.0001862600000000, 0.0000153600000000, 0.0000546300000000 ] - [ -0.0002220300000000, 0.0000482100000000, -0.0001304900000000 ]- atom: 17 displacement: [ -0.0050000000076503, 0.0086602540334275, 0.0000000000000000 ] forces: - [ 0.0012948000000000, 0.0011801000000000, 0.0006660900000000 ] - [ -0.0016666400000000, 0.0053150400000000, 0.0010838000000000 ] - [ -0.0010154300000000, -0.0021329300000000, -0.0008018900000000 ] - [ 0.0005930300000000, -0.0014277300000000, 0.0006521100000000 ] - [ 0.0000142600000000, 0.0000111400000000, -0.0001500500000000 ] - [ -0.0000097600000000, 0.0000241500000000, -0.0001424600000000 ] - [ -0.0000067700000000, -0.0000107000000000, -0.0001273000000000 ] - [ 0.0000032300000000, -0.0000264700000000, -0.0001547900000000 ] - [ -0.0001585800000000, 0.0001207700000000, -0.0002665000000000 ] - [ 0.0001563400000000, 0.0000177500000000, -0.0001875400000000 ] - [ 0.0000408900000000, -0.0001500700000000, -0.0000887800000000 ] - [ -0.0000765900000000, -0.0000032300000000, -0.0000429900000000 ] - [ -0.0005775500000000, 0.0007064100000000, 0.0001750000000000 ] - [ 0.0002101800000000, 0.0000171400000000, 0.0001357200000000 ] - [ 0.0007917700000000, -0.0003325800000000, -0.0003299300000000 ] - [ -0.0004941700000000, -0.0003538600000000, -0.0003298200000000 ] - [ 0.0154551300000000, -0.0730870600000000, -0.0392985600000000 ] - [ -0.0009863600000000, -0.0005817000000000, -0.0001533500000000 ] - [ -0.0010179700000000, 0.0019201400000000, 0.0002613600000000 ] - [ 0.0011924700000000, 0.0010104100000000, 0.0001136000000000 ] - [ -0.0000891100000000, 0.0001649800000000, 0.0003902800000000 ] - [ -0.0001145700000000, 0.0001795500000000, 0.0003809900000000 ] - [ -0.0001179300000000, 0.0002131300000000, 0.0004039600000000 ] - [ -0.0000901400000000, 0.0001945100000000, 0.0003920000000000 ] - [ -0.0000251700000000, -0.0003197100000000, 0.0002725700000000 ] - [ -0.0002938400000000, -0.0004673300000000, 0.0008285700000000 ] - [ -0.0001029900000000, 0.0000101400000000, 0.0003253000000000 ] - [ -0.0001120200000000, 0.0000583500000000, 0.0000438500000000 ] - [ -0.0001730900000000, -0.0005402100000000, 0.0006078600000000 ] - [ -0.0002082000000000, -0.0002136100000000, 0.0000272400000000 ] - [ -0.0001619800000000, 0.0000466800000000, 0.0001619600000000 ] - [ 0.0000791000000000, -0.0000447500000000, 0.0007295800000000 ] - [ -0.0002025700000000, 0.0000941300000000, 0.0003014200000000 ] - [ 0.0001331000000000, -0.0002870100000000, 0.0004445400000000 ] - [ 0.0000608800000000, 0.0002797700000000, 0.0003356800000000 ] - [ -0.0004526700000000, 0.0006080500000000, 0.0006418100000000 ] - [ -0.0002711100000000, 0.0000850300000000, 0.0003557800000000 ] - [ 0.0001382900000000, -0.0002853400000000, 0.0003128200000000 ] - [ 0.0001090300000000, 0.0002718100000000, 0.0001810400000000 ] - [ -0.0003980900000000, 0.0006449500000000, 0.0007320900000000 ] - [ 0.0000208200000000, -0.0000507500000000, 0.0000402600000000 ] - [ 0.0001836600000000, -0.0002026100000000, 0.0002348500000000 ] - [ 0.0005145400000000, 0.0002769900000000, 0.0008671600000000 ] - [ 0.0001403900000000, 0.0000861900000000, 0.0003712100000000 ] - [ 0.0000193900000000, -0.0000208600000000, 0.0006918100000000 ] - [ 0.0005168900000000, -0.0001079100000000, 0.0005660300000000 ] - [ 0.0001803100000000, -0.0000000800000000, 0.0000203600000000 ] - [ 0.0001397500000000, 0.0001695200000000, 0.0002917700000000 ] - [ 0.0019508100000000, 0.0005007300000000, 0.0011218200000000 ] - [ -0.0009872700000000, 0.0005722900000000, -0.0001660000000000 ] - [ -0.0009894600000000, 0.0001831900000000, -0.0009730000000000 ] - [ 0.0015744200000000, 0.0002708400000000, -0.0026052800000000 ] - [ -0.0001117000000000, 0.0000141500000000, -0.0001047400000000 ] - [ -0.0001586400000000, 0.0000528100000000, -0.0001054900000000 ] - [ -0.0001550500000000, 0.0000457100000000, -0.0000620900000000 ] - [ -0.0000726500000000, 0.0000304300000000, -0.0000281600000000 ] - [ 0.0024213900000000, 0.0195316100000000, 0.0000930700000000 ] - [ -0.0006129300000000, 0.0008085900000000, -0.0001539200000000 ] - [ -0.0042867200000000, 0.0024193100000000, -0.0016705500000000 ] - [ 0.0017879700000000, -0.0005917500000000, -0.0000432300000000 ] - [ 0.0002209300000000, -0.0000080900000000, 0.0003947700000000 ] - [ 0.0001998500000000, 0.0000013600000000, 0.0003830700000000 ] - [ 0.0002040200000000, -0.0000013700000000, 0.0003918500000000 ] - [ 0.0002233700000000, -0.0000092800000000, 0.0003944500000000 ] - [ 0.0019126700000000, -0.0038830300000000, -0.0002539000000000 ] - [ -0.0052988500000000, 0.0009965000000000, 0.0006159100000000 ] - [ -0.0008105600000000, 0.0011757900000000, -0.0000386400000000 ] - [ 0.0020506200000000, 0.0037649100000000, -0.0014920300000000 ] - [ -0.0001039900000000, -0.0001976300000000, 0.0003910600000000 ] - [ -0.0001198100000000, -0.0001877300000000, 0.0003951500000000 ] - [ -0.0001156700000000, -0.0001714300000000, 0.0003905600000000 ] - [ -0.0001019400000000, -0.0001725900000000, 0.0003903500000000 ] - [ -0.0038056900000000, 0.0065665200000000, 0.0168891200000000 ] - [ -0.0002739500000000, -0.0003266200000000, -0.0002851400000000 ] - [ -0.0004245800000000, 0.0006286500000000, -0.0009487100000000 ] - [ 0.0006298800000000, 0.0001925800000000, -0.0004183700000000 ] - [ 0.0000534000000000, -0.0001557800000000, -0.0001046700000000 ] - [ 0.0000183900000000, -0.0001350200000000, -0.0000826700000000 ] - [ -0.0000064300000000, -0.0000944000000000, -0.0000192100000000 ] - [ 0.0000578000000000, -0.0001172300000000, -0.0000958100000000 ] - [ -0.0001788500000000, -0.0000192600000000, -0.0001564900000000 ] - [ -0.0001169400000000, -0.0001075600000000, -0.0000799100000000 ] - [ -0.0000301700000000, -0.0000362500000000, 0.0000009800000000 ] - [ -0.0001773800000000, 0.0000036200000000, -0.0000542000000000 ] - [ -0.0008409900000000, -0.0000024400000000, -0.0001417000000000 ] - [ 0.0020489300000000, -0.0009674000000000, 0.0017512200000000 ] - [ 0.0001997500000000, 0.0000635900000000, -0.0008464800000000 ] - [ -0.0009581200000000, 0.0008565700000000, -0.0009740300000000 ] - [ -0.0016138500000000, -0.0033974000000000, -0.0056004800000000 ] - [ -0.0008219500000000, -0.0005456000000000, 0.0002505100000000 ] - [ -0.0004962300000000, 0.0015327100000000, -0.0003017300000000 ] - [ 0.0004739400000000, 0.0009754100000000, -0.0009849100000000 ] - [ 0.0000985900000000, 0.0000286400000000, -0.0000262000000000 ] - [ 0.0000898900000000, 0.0000836400000000, -0.0001014600000000 ] - [ 0.0000726000000000, 0.0001363200000000, -0.0001130400000000 ] - [ 0.0001133200000000, 0.0001093800000000, -0.0000617900000000 ] - [ 0.0000777200000000, -0.0001225100000000, -0.0001153400000000 ] - [ 0.0001145700000000, -0.0001247500000000, 0.0000142500000000 ] - [ 0.0001170500000000, -0.0000673300000000, -0.0000852800000000 ] - [ 0.0000545200000000, -0.0000345000000000, -0.0000981700000000 ] - [ -0.0002462000000000, -0.0005203600000000, -0.0004294300000000 ] - [ -0.0000715000000000, -0.0012236000000000, -0.0026515200000000 ] - [ 0.0003963200000000, 0.0001335700000000, -0.0003283600000000 ] - [ -0.0011257700000000, 0.0036500500000000, 0.0028002200000000 ] - [ 0.0000864100000000, 0.0000848600000000, -0.0001306100000000 ] - [ -0.0000178900000000, 0.0000463800000000, -0.0000163200000000 ] - [ 0.0000126100000000, 0.0001992300000000, -0.0000147400000000 ] - [ 0.0000496500000000, 0.0001769000000000, -0.0001389500000000 ] - [ -0.0012589100000000, -0.0016385600000000, 0.0016854100000000 ] - [ 0.0001457600000000, -0.0003154300000000, -0.0005661400000000 ] - [ 0.0000787600000000, 0.0009240500000000, -0.0009959400000000 ] - [ 0.0004786000000000, 0.0008371500000000, -0.0002032100000000 ] - [ -0.0030155600000000, 0.0289627100000000, 0.0117421300000000 ] - [ 0.0033454000000000, 0.0000626100000000, -0.0005424600000000 ] - [ 0.0029256400000000, -0.0039986100000000, 0.0021496600000000 ] - [ -0.0039684800000000, -0.0017396900000000, 0.0020172900000000 ] - [ -0.0000464700000000, 0.0000718200000000, -0.0004099400000000 ] - [ 0.0000345800000000, 0.0000040000000000, -0.0003888700000000 ] - [ 0.0000655500000000, -0.0000544000000000, -0.0004376300000000 ] - [ -0.0000527500000000, -0.0000179500000000, -0.0004315500000000 ] - [ 0.0000856000000000, 0.0001885200000000, -0.0001119400000000 ] - [ -0.0000237500000000, 0.0005133100000000, -0.0006932600000000 ] - [ -0.0002487400000000, -0.0003985500000000, -0.0006159000000000 ] - [ 0.0003015200000000, -0.0002889500000000, -0.0002878200000000 ] - [ 0.0015224800000000, 0.0006380200000000, -0.0010556200000000 ] - [ -0.0006473200000000, 0.0025177700000000, 0.0000765900000000 ] - [ -0.0003525900000000, -0.0006382400000000, 0.0007529300000000 ] - [ -0.0004470600000000, -0.0023505800000000, -0.0011255800000000 ] - [ -0.0000323100000000, -0.0000010800000000, -0.0003664000000000 ] - [ 0.0000274300000000, -0.0000314300000000, -0.0004659500000000 ] - [ 0.0000316500000000, 0.0000066700000000, -0.0003650300000000 ] - [ -0.0000274700000000, 0.0000224800000000, -0.0003465800000000 ] - [ -0.0011263000000000, -0.0003815200000000, 0.0009811400000000 ] - [ 0.0040640600000000, -0.0040311100000000, 0.0046503800000000 ] - [ 0.0003045100000000, 0.0002603200000000, 0.0005852100000000 ] - [ -0.0084141800000000, 0.0168570400000000, 0.0113115700000000 ] - [ -0.0006886400000000, -0.0001638600000000, -0.0002407300000000 ] - [ 0.0015839400000000, -0.0022009600000000, -0.0023714600000000 ] - [ 0.0002997300000000, 0.0003110500000000, 0.0000362600000000 ] - [ -0.0002901500000000, 0.0004071800000000, 0.0020258700000000 ] - [ -0.0000696100000000, 0.0000473400000000, -0.0003055200000000 ] - [ 0.0001408600000000, -0.0001570500000000, -0.0001238400000000 ] - [ 0.0000103700000000, -0.0000320700000000, -0.0003126400000000 ] - [ -0.0000807600000000, 0.0001317300000000, -0.0007825300000000 ]- atom: 17 displacement: [ 0.0050000000076503, -0.0086602540334275, 0.0000000000000000 ] forces: - [ -0.0013082400000000, -0.0011579100000000, -0.0006563600000000 ] - [ 0.0017711200000000, -0.0052797800000000, -0.0011395100000000 ] - [ 0.0010216800000000, 0.0021302900000000, 0.0008128000000000 ] - [ -0.0005908500000000, 0.0014180500000000, -0.0006425100000000 ] - [ -0.0000125900000000, -0.0000116200000000, 0.0001507900000000 ] - [ 0.0000125600000000, -0.0000251500000000, 0.0001424600000000 ] - [ 0.0000076200000000, 0.0000095300000000, 0.0001278600000000 ] - [ -0.0000039200000000, 0.0000263100000000, 0.0001535000000000 ] - [ 0.0001567200000000, -0.0001219200000000, 0.0002599600000000 ] - [ -0.0001549300000000, -0.0000182600000000, 0.0001810400000000 ] - [ -0.0000420900000000, 0.0001512900000000, 0.0000828700000000 ] - [ 0.0000757400000000, 0.0000046900000000, 0.0000381500000000 ] - [ 0.0005742700000000, -0.0007011400000000, -0.0001697800000000 ] - [ -0.0002128900000000, -0.0000189300000000, -0.0001330100000000 ] - [ -0.0007830800000000, 0.0003326300000000, 0.0003264100000000 ] - [ 0.0004891300000000, 0.0003508100000000, 0.0003283000000000 ] - [ -0.0149883000000000, 0.0732496900000000, 0.0396333700000000 ] - [ 0.0007932400000000, 0.0008524700000000, 0.0006159200000000 ] - [ 0.0008201300000000, -0.0016424700000000, 0.0001991100000000 ] - [ -0.0013867600000000, -0.0007321500000000, 0.0003506800000000 ] - [ -0.0001058200000000, 0.0001096400000000, 0.0000782700000000 ] - [ -0.0000803400000000, 0.0000966000000000, 0.0000890200000000 ] - [ -0.0000814900000000, 0.0000643400000000, 0.0000642400000000 ] - [ -0.0001091300000000, 0.0000869200000000, 0.0000864600000000 ] - [ -0.0001699900000000, 0.0000442400000000, 0.0002067100000000 ] - [ 0.0000989100000000, 0.0001961600000000, -0.0003554600000000 ] - [ -0.0000903500000000, -0.0002854900000000, 0.0001447600000000 ] - [ -0.0000841400000000, -0.0003366700000000, 0.0004313600000000 ] - [ -0.0000216400000000, 0.0002634600000000, -0.0001417300000000 ] - [ 0.0000095500000000, -0.0000614500000000, 0.0004435900000000 ] - [ -0.0000372300000000, -0.0003178600000000, 0.0003043700000000 ] - [ -0.0002699300000000, -0.0002255600000000, -0.0002607900000000 ] - [ 0.0000648600000000, 0.0002157000000000, 0.0001746700000000 ] - [ -0.0002752900000000, 0.0005918300000000, 0.0000324800000000 ] - [ -0.0002017800000000, 0.0000244700000000, 0.0001363500000000 ] - [ 0.0003138400000000, -0.0003023600000000, -0.0001697300000000 ] - [ 0.0001317600000000, 0.0002194700000000, 0.0001084400000000 ] - [ -0.0002749900000000, 0.0005879400000000, 0.0001558100000000 ] - [ -0.0002485300000000, 0.0000304800000000, 0.0002851500000000 ] - [ 0.0002543400000000, -0.0003309400000000, -0.0002553700000000 ] - [ 0.0003164900000000, 0.0000200600000000, 0.0004328000000000 ] - [ 0.0001491200000000, 0.0001748500000000, 0.0002389700000000 ] - [ -0.0001777900000000, -0.0003105700000000, -0.0003971700000000 ] - [ 0.0002001300000000, -0.0001205300000000, 0.0001000100000000 ] - [ 0.0003158400000000, -0.0000153200000000, -0.0002281500000000 ] - [ -0.0001757900000000, 0.0000715800000000, -0.0000948400000000 ] - [ 0.0001496300000000, -0.0000291700000000, 0.0004436500000000 ] - [ 0.0001994500000000, -0.0002007000000000, 0.0001749800000000 ] - [ -0.0022850900000000, -0.0004545700000000, -0.0015855400000000 ] - [ 0.0006527900000000, -0.0005374100000000, -0.0003024600000000 ] - [ 0.0006504200000000, -0.0001577200000000, 0.0004974800000000 ] - [ -0.0019104700000000, -0.0002654800000000, 0.0021381800000000 ] - [ -0.0002245900000000, 0.0000199400000000, -0.0003634000000000 ] - [ -0.0001815300000000, -0.0000190600000000, -0.0003634600000000 ] - [ -0.0001783600000000, -0.0000165000000000, -0.0004072900000000 ] - [ -0.0002601000000000, -0.0000023200000000, -0.0004349000000000 ] - [ -0.0021813900000000, -0.0198604000000000, 0.0003576700000000 ] - [ 0.0009537200000000, -0.0007731900000000, 0.0006197500000000 ] - [ 0.0045575100000000, -0.0023625100000000, 0.0021140600000000 ] - [ -0.0014683900000000, 0.0006043500000000, 0.0005025200000000 ] - [ 0.0001155900000000, 0.0000406900000000, 0.0000756500000000 ] - [ 0.0001367100000000, 0.0000290200000000, 0.0000912600000000 ] - [ 0.0001336300000000, 0.0000327800000000, 0.0000767300000000 ] - [ 0.0001115400000000, 0.0000389700000000, 0.0000796300000000 ] - [ -0.0019260300000000, 0.0036406900000000, 0.0007081900000000 ] - [ 0.0052225400000000, -0.0013100700000000, -0.0001590700000000 ] - [ 0.0006644300000000, -0.0014799700000000, 0.0005011400000000 ] - [ -0.0021593000000000, -0.0040173700000000, 0.0019361100000000 ] - [ -0.0000372600000000, -0.0001135200000000, 0.0000843300000000 ] - [ -0.0000204600000000, -0.0001185400000000, 0.0000778400000000 ] - [ -0.0000263400000000, -0.0001410100000000, 0.0000805000000000 ] - [ -0.0000395500000000, -0.0001286800000000, 0.0000812500000000 ] - [ 0.0039388800000000, -0.0068691900000000, -0.0175314800000000 ] - [ 0.0004213800000000, 0.0000249500000000, -0.0001810400000000 ] - [ 0.0005657900000000, -0.0009396700000000, 0.0004685300000000 ] - [ -0.0004964800000000, -0.0005014400000000, -0.0000491400000000 ] - [ 0.0000868600000000, -0.0001493600000000, -0.0003621200000000 ] - [ 0.0001214800000000, -0.0001675700000000, -0.0003841100000000 ] - [ 0.0001470300000000, -0.0002118200000000, -0.0004555400000000 ] - [ 0.0000823900000000, -0.0001924200000000, -0.0003731800000000 ] - [ -0.0001515900000000, -0.0000103000000000, -0.0003063800000000 ] - [ -0.0002153800000000, 0.0000760700000000, -0.0003802700000000 ] - [ -0.0003080900000000, 0.0000030500000000, -0.0004699500000000 ] - [ -0.0001580900000000, -0.0000390400000000, -0.0004117900000000 ] - [ 0.0005037600000000, -0.0000312000000000, -0.0003307800000000 ] - [ -0.0023619800000000, 0.0009212600000000, -0.0022079700000000 ] - [ -0.0005364100000000, -0.0000933500000000, 0.0003761000000000 ] - [ 0.0006236600000000, -0.0008795600000000, 0.0005028000000000 ] - [ 0.0018750700000000, 0.0036274700000000, 0.0051907200000000 ] - [ 0.0010114000000000, 0.0008219000000000, -0.0007181000000000 ] - [ 0.0006875700000000, -0.0012593900000000, -0.0001694000000000 ] - [ -0.0002729500000000, -0.0007008900000000, 0.0005119000000000 ] - [ 0.0000978100000000, 0.0002447200000000, -0.0004418400000000 ] - [ 0.0001088000000000, 0.0001925000000000, -0.0003671900000000 ] - [ 0.0001242900000000, 0.0001397100000000, -0.0003603500000000 ] - [ 0.0000787000000000, 0.0001632500000000, -0.0004026500000000 ] - [ 0.0001242700000000, -0.0001554500000000, -0.0003521700000000 ] - [ 0.0000805200000000, -0.0001476800000000, -0.0004748400000000 ] - [ 0.0000775400000000, -0.0002079900000000, -0.0003782400000000 ] - [ 0.0001405300000000, -0.0002399000000000, -0.0003642800000000 ] - [ 0.0004426900000000, 0.0002424300000000, -0.0000472800000000 ] - [ 0.0002627800000000, 0.0009528400000000, 0.0021883700000000 ] - [ -0.0002037600000000, -0.0004096400000000, -0.0001399000000000 ] - [ 0.0013051800000000, -0.0038748600000000, -0.0032302100000000 ] - [ 0.0000524700000000, 0.0002220400000000, -0.0003321200000000 ] - [ 0.0001564800000000, 0.0002643600000000, -0.0004483400000000 ] - [ 0.0001260800000000, 0.0001042800000000, -0.0004497000000000 ] - [ 0.0000921900000000, 0.0001308400000000, -0.0003268200000000 ] - [ 0.0013933100000000, 0.0019220100000000, -0.0021514900000000 ] - [ -0.0000067500000000, 0.0006219000000000, 0.0000978800000000 ] - [ 0.0000549000000000, -0.0006142400000000, 0.0005298900000000 ] - [ -0.0003298500000000, -0.0005215200000000, -0.0002705200000000 ] - [ 0.0025016800000000, -0.0293863100000000, -0.0122471200000000 ] - [ -0.0033542300000000, -0.0000667000000000, 0.0005615100000000 ] - [ -0.0029083000000000, 0.0039847600000000, -0.0021135800000000 ] - [ 0.0039423700000000, 0.0017609500000000, -0.0019887700000000 ] - [ 0.0000426600000000, -0.0000752100000000, 0.0004118100000000 ] - [ -0.0000363400000000, -0.0000044500000000, 0.0003876500000000 ] - [ -0.0000656600000000, 0.0000582900000000, 0.0004403000000000 ] - [ 0.0000577100000000, 0.0000236900000000, 0.0004317500000000 ] - [ -0.0000892200000000, -0.0001940700000000, 0.0000921100000000 ] - [ 0.0000283000000000, -0.0005146000000000, 0.0006704400000000 ] - [ 0.0002489200000000, 0.0004003400000000, 0.0005979700000000 ] - [ -0.0002986700000000, 0.0002933900000000, 0.0002720900000000 ] - [ -0.0015109700000000, -0.0006287600000000, 0.0010569800000000 ] - [ 0.0006450200000000, -0.0024995000000000, -0.0000695200000000 ] - [ 0.0003561100000000, 0.0006313400000000, -0.0007492500000000 ] - [ 0.0004370900000000, 0.0023271800000000, 0.0011134900000000 ] - [ 0.0000351600000000, -0.0000007300000000, 0.0003562800000000 ] - [ -0.0000277600000000, 0.0000305000000000, 0.0004542300000000 ] - [ -0.0000308600000000, -0.0000065900000000, 0.0003544300000000 ] - [ 0.0000259300000000, -0.0000215800000000, 0.0003374000000000 ] - [ 0.0011095800000000, 0.0003567600000000, -0.0009497100000000 ] - [ -0.0040659500000000, 0.0040265200000000, -0.0046566200000000 ] - [ -0.0002941600000000, -0.0002565800000000, -0.0005697700000000 ] - [ 0.0080722500000000, -0.0160883600000000, -0.0105164800000000 ] - [ 0.0006789100000000, 0.0001554600000000, 0.0002282300000000 ] - [ -0.0015770800000000, 0.0021909000000000, 0.0023588400000000 ] - [ -0.0002954100000000, -0.0003103500000000, -0.0000441000000000 ] - [ 0.0002912000000000, -0.0003804600000000, -0.0020485400000000 ] - [ 0.0000693800000000, -0.0000478500000000, 0.0003098200000000 ] - [ -0.0001389900000000, 0.0001514200000000, 0.0001282400000000 ] - [ -0.0000095500000000, 0.0000346000000000, 0.0003163100000000 ] - [ 0.0000802000000000, -0.0001287800000000, 0.0007795000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0014359800000000, 0.0005082000000000, 0.0021932400000000 ] - [ -0.0003795500000000, 0.0013870400000000, 0.0070968200000000 ] - [ -0.0000865600000000, -0.0006845000000000, 0.0010826100000000 ] - [ 0.0001673300000000, -0.0003073200000000, 0.0012421200000000 ] - [ 0.0000201400000000, 0.0000044000000000, -0.0005138300000000 ] - [ -0.0000157200000000, 0.0000081600000000, -0.0005434100000000 ] - [ 0.0000012400000000, 0.0000001100000000, -0.0004968000000000 ] - [ -0.0000056600000000, -0.0000144100000000, -0.0005120600000000 ] - [ -0.0001112700000000, -0.0001121100000000, -0.0007833200000000 ] - [ 0.0001269600000000, -0.0000196600000000, -0.0004279700000000 ] - [ -0.0000900500000000, 0.0000262000000000, -0.0004278100000000 ] - [ 0.0000634900000000, 0.0000839800000000, -0.0004294600000000 ] - [ 0.0004202300000000, 0.0009095500000000, -0.0012099700000000 ] - [ -0.0002132700000000, 0.0000986100000000, -0.0000812300000000 ] - [ 0.0005772500000000, -0.0001318500000000, -0.0003103200000000 ] - [ -0.0004752300000000, -0.0007106800000000, -0.0004357300000000 ] - [ -0.0084904900000000, -0.0499663500000000, -0.0824568900000000 ] - [ -0.0000885900000000, -0.0002934700000000, -0.0009398000000000 ] - [ -0.0002897500000000, 0.0000724900000000, -0.0010895500000000 ] - [ 0.0002690900000000, 0.0002138600000000, -0.0008019800000000 ] - [ -0.0001142900000000, 0.0003125800000000, 0.0008239300000000 ] - [ -0.0001156100000000, 0.0003010200000000, 0.0007756100000000 ] - [ -0.0001226800000000, 0.0003193300000000, 0.0007933600000000 ] - [ -0.0001148100000000, 0.0003088100000000, 0.0007746700000000 ] - [ 0.0002449000000000, -0.0001013600000000, 0.0009605300000000 ] - [ -0.0004724400000000, -0.0003572500000000, 0.0009780100000000 ] - [ -0.0000694500000000, -0.0000814000000000, 0.0004573700000000 ] - [ -0.0002145000000000, -0.0006492000000000, 0.0008178200000000 ] - [ -0.0004296500000000, -0.0006360100000000, 0.0009732600000000 ] - [ 0.0003105800000000, -0.0004166300000000, 0.0009576200000000 ] - [ -0.0001714800000000, -0.0001979400000000, 0.0004468900000000 ] - [ -0.0000302100000000, 0.0000435500000000, 0.0008131800000000 ] - [ 0.0000051400000000, 0.0001433300000000, 0.0004877100000000 ] - [ -0.0004310400000000, 0.0000420500000000, 0.0013844500000000 ] - [ -0.0000617800000000, 0.0002997100000000, 0.0005266600000000 ] - [ -0.0004313300000000, 0.0005179400000000, 0.0008522800000000 ] - [ -0.0002198300000000, 0.0001831800000000, 0.0005231600000000 ] - [ -0.0002517600000000, 0.0002840300000000, 0.0013771200000000 ] - [ -0.0000950700000000, 0.0002134900000000, 0.0004797700000000 ] - [ -0.0003131000000000, 0.0004905000000000, 0.0008517200000000 ] - [ 0.0006283700000000, -0.0001125200000000, 0.0009251300000000 ] - [ -0.0000366400000000, -0.0001672700000000, 0.0005994000000000 ] - [ 0.0005026400000000, 0.0004806100000000, 0.0010533200000000 ] - [ 0.0002323500000000, 0.0000071800000000, 0.0005145500000000 ] - [ -0.0000251700000000, 0.0001801700000000, 0.0009246000000000 ] - [ 0.0008032200000000, 0.0001754100000000, 0.0010504900000000 ] - [ 0.0001650100000000, -0.0003169600000000, 0.0005877700000000 ] - [ 0.0003089000000000, 0.0001082100000000, 0.0005084200000000 ] - [ 0.0011927800000000, 0.0020535100000000, -0.0004595500000000 ] - [ -0.0009074500000000, 0.0001593100000000, -0.0011645500000000 ] - [ -0.0001026900000000, -0.0003754700000000, -0.0011646300000000 ] - [ -0.0025319600000000, -0.0044892500000000, 0.0008364600000000 ] - [ -0.0000469000000000, 0.0000570400000000, 0.0002959400000000 ] - [ -0.0000055600000000, 0.0000900100000000, 0.0003121500000000 ] - [ -0.0000441300000000, 0.0000922100000000, 0.0003124000000000 ] - [ 0.0000276500000000, 0.0001276800000000, 0.0003894100000000 ] - [ -0.0003189900000000, 0.0007808700000000, -0.0046548900000000 ] - [ -0.0000948400000000, 0.0003296500000000, -0.0008278000000000 ] - [ -0.0015342100000000, 0.0002603700000000, -0.0028283500000000 ] - [ 0.0005482100000000, 0.0005134100000000, -0.0020544100000000 ] - [ 0.0003247600000000, -0.0000562500000000, 0.0007988700000000 ] - [ 0.0003211300000000, -0.0000493500000000, 0.0007758900000000 ] - [ 0.0003307200000000, -0.0000573600000000, 0.0008022900000000 ] - [ 0.0003357300000000, -0.0000559600000000, 0.0008009200000000 ] - [ 0.0003042000000000, -0.0001488200000000, -0.0046552900000000 ] - [ 0.0002527500000000, -0.0000369700000000, -0.0020490600000000 ] - [ -0.0000055700000000, 0.0002525300000000, -0.0008328600000000 ] - [ 0.0013013400000000, 0.0012398500000000, -0.0028410000000000 ] - [ -0.0002117000000000, -0.0002607300000000, 0.0008010700000000 ] - [ -0.0002090800000000, -0.0002527600000000, 0.0007900200000000 ] - [ -0.0002094300000000, -0.0002544200000000, 0.0007801400000000 ] - [ -0.0002120800000000, -0.0002514400000000, 0.0007953000000000 ] - [ -0.0083682500000000, 0.0146434400000000, 0.0184909100000000 ] - [ 0.0006543600000000, -0.0000322600000000, -0.0010129000000000 ] - [ 0.0005056800000000, -0.0007244500000000, -0.0014043000000000 ] - [ -0.0000958100000000, -0.0003145500000000, -0.0010125100000000 ] - [ -0.0000747900000000, -0.0000886200000000, 0.0003721700000000 ] - [ -0.0000655900000000, -0.0000743100000000, 0.0002896200000000 ] - [ -0.0001144600000000, -0.0000119500000000, 0.0003743100000000 ] - [ -0.0000366100000000, -0.0000532100000000, 0.0002838700000000 ] - [ 0.0000490500000000, -0.0000975600000000, 0.0003061900000000 ] - [ -0.0000725400000000, -0.0001943100000000, 0.0003990900000000 ] - [ 0.0000430500000000, -0.0000111800000000, 0.0003495800000000 ] - [ -0.0000805000000000, -0.0000633400000000, 0.0002720800000000 ] - [ -0.0009297200000000, 0.0001772900000000, -0.0005001300000000 ] - [ 0.0017519600000000, 0.0008292900000000, 0.0022852700000000 ] - [ -0.0004972300000000, -0.0005621700000000, -0.0004689400000000 ] - [ -0.0001402400000000, 0.0002878000000000, -0.0005185400000000 ] - [ 0.0119989700000000, -0.0005660900000000, 0.0110818000000000 ] - [ -0.0009299600000000, 0.0001813700000000, -0.0008418900000000 ] - [ -0.0000086600000000, 0.0010623100000000, -0.0012031100000000 ] - [ 0.0002820300000000, 0.0001098500000000, -0.0012061100000000 ] - [ 0.0000604400000000, -0.0000777600000000, 0.0003924700000000 ] - [ 0.0001148300000000, -0.0000277800000000, 0.0003230300000000 ] - [ 0.0000638500000000, -0.0000406200000000, 0.0003090000000000 ] - [ 0.0000970500000000, -0.0000011300000000, 0.0003072700000000 ] - [ 0.0001580100000000, 0.0000260400000000, 0.0002995100000000 ] - [ 0.0000294500000000, 0.0001017700000000, 0.0004844700000000 ] - [ 0.0000738100000000, 0.0000165300000000, 0.0002414400000000 ] - [ 0.0000776200000000, -0.0000020900000000, 0.0003172600000000 ] - [ -0.0003219700000000, -0.0006007900000000, -0.0006040400000000 ] - [ 0.0019208000000000, -0.0019044100000000, 0.0027628600000000 ] - [ 0.0003462100000000, -0.0001038500000000, -0.0004929600000000 ] - [ -0.0008382700000000, 0.0028190700000000, 0.0021596000000000 ] - [ -0.0000058500000000, 0.0000280000000000, 0.0003992400000000 ] - [ -0.0001455000000000, 0.0000153400000000, 0.0003500900000000 ] - [ -0.0000597100000000, 0.0001428200000000, 0.0003048400000000 ] - [ -0.0000715000000000, 0.0000364000000000, 0.0002699600000000 ] - [ -0.0026740700000000, -0.0005586000000000, 0.0022874000000000 ] - [ 0.0011632300000000, 0.0002339000000000, -0.0004753500000000 ] - [ -0.0000310100000000, 0.0001107900000000, -0.0005057100000000 ] - [ 0.0004809400000000, 0.0007704000000000, -0.0005131000000000 ] - [ 0.0117824400000000, 0.0216383800000000, 0.0385698800000000 ] - [ 0.0005227600000000, -0.0002218700000000, 0.0031511000000000 ] - [ 0.0004615400000000, -0.0005977200000000, 0.0037289100000000 ] - [ -0.0000340000000000, 0.0013231100000000, 0.0051102800000000 ] - [ 0.0000154500000000, 0.0000589400000000, -0.0015534600000000 ] - [ -0.0000167000000000, 0.0000069700000000, -0.0014587100000000 ] - [ 0.0000417400000000, -0.0000131400000000, -0.0014843800000000 ] - [ -0.0000413400000000, -0.0000567100000000, -0.0014911500000000 ] - [ -0.0004928600000000, 0.0000728500000000, -0.0015471200000000 ] - [ 0.0005778900000000, 0.0003105900000000, -0.0019221100000000 ] - [ -0.0001915200000000, -0.0004945000000000, -0.0013034700000000 ] - [ 0.0001401600000000, 0.0001760300000000, -0.0012396600000000 ] - [ 0.0023840600000000, 0.0002900500000000, -0.0013897600000000 ] - [ -0.0025391700000000, 0.0001074400000000, -0.0032807100000000 ] - [ 0.0000515200000000, 0.0003974300000000, -0.0001191800000000 ] - [ -0.0006633100000000, -0.0016003400000000, -0.0010483000000000 ] - [ -0.0000329400000000, -0.0000277400000000, -0.0013247400000000 ] - [ 0.0000391300000000, -0.0000620100000000, -0.0014007200000000 ] - [ 0.0000136100000000, 0.0000297900000000, -0.0013060200000000 ] - [ -0.0000151200000000, 0.0000595200000000, -0.0014342700000000 ] - [ 0.0001165000000000, 0.0000316600000000, 0.0023733200000000 ] - [ -0.0008800800000000, 0.0022656700000000, 0.0031422800000000 ] - [ -0.0005326800000000, -0.0002501300000000, 0.0021135600000000 ] - [ -0.0039818400000000, 0.0089056400000000, 0.0128133700000000 ] - [ -0.0010247000000000, -0.0007967700000000, -0.0002120200000000 ] - [ 0.0019995100000000, -0.0028311900000000, -0.0018882500000000 ] - [ 0.0003297800000000, 0.0003056000000000, 0.0001689400000000 ] - [ -0.0002967300000000, 0.0033713700000000, -0.0026055600000000 ] - [ 0.0000580100000000, 0.0001035500000000, -0.0011487000000000 ] - [ -0.0000122600000000, 0.0001757600000000, -0.0013494500000000 ] - [ -0.0001482000000000, -0.0000861300000000, -0.0011877600000000 ] - [ 0.0001116800000000, -0.0001879500000000, -0.0017617500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0014266000000000, -0.0004995900000000, -0.0022052400000000 ] - [ 0.0006123800000000, -0.0013669400000000, -0.0071949700000000 ] - [ 0.0000840000000000, 0.0006702300000000, -0.0010917700000000 ] - [ -0.0001671500000000, 0.0003062500000000, -0.0012408600000000 ] - [ -0.0000195400000000, -0.0000053500000000, 0.0005160800000000 ] - [ 0.0000158300000000, -0.0000085600000000, 0.0005398100000000 ] - [ -0.0000004900000000, -0.0000021900000000, 0.0004933500000000 ] - [ 0.0000056100000000, 0.0000149800000000, 0.0005086200000000 ] - [ 0.0001089300000000, 0.0001131000000000, 0.0007822000000000 ] - [ -0.0001276000000000, 0.0000199200000000, 0.0004233300000000 ] - [ 0.0000874200000000, -0.0000268000000000, 0.0004225000000000 ] - [ -0.0000658000000000, -0.0000849500000000, 0.0004263500000000 ] - [ -0.0004187300000000, -0.0008991400000000, 0.0012048200000000 ] - [ 0.0002079600000000, -0.0000987200000000, 0.0000858600000000 ] - [ -0.0005715000000000, 0.0001325900000000, 0.0003118700000000 ] - [ 0.0004700000000000, 0.0007019500000000, 0.0004366500000000 ] - [ 0.0091975600000000, 0.0513833500000000, 0.0839690300000000 ] - [ -0.0001176000000000, 0.0005685400000000, 0.0014032600000000 ] - [ 0.0000836600000000, 0.0002056900000000, 0.0015481100000000 ] - [ -0.0004673700000000, 0.0000599000000000, 0.0012592300000000 ] - [ -0.0000874700000000, -0.0000375300000000, -0.0003676900000000 ] - [ -0.0000851500000000, -0.0000262500000000, -0.0003168200000000 ] - [ -0.0000767500000000, -0.0000467800000000, -0.0003365600000000 ] - [ -0.0000863800000000, -0.0000322000000000, -0.0003130000000000 ] - [ -0.0004480100000000, -0.0001745000000000, -0.0004961700000000 ] - [ 0.0002739000000000, 0.0000850000000000, -0.0005170400000000 ] - [ -0.0001323600000000, -0.0001965700000000, 0.0000089000000000 ] - [ 0.0000140000000000, 0.0003738200000000, -0.0003534600000000 ] - [ 0.0002292800000000, 0.0003598600000000, -0.0005136200000000 ] - [ -0.0005129700000000, 0.0001403100000000, -0.0004947300000000 ] - [ -0.0000284600000000, -0.0000693800000000, 0.0000036700000000 ] - [ -0.0001738000000000, -0.0003168700000000, -0.0003525600000000 ] - [ -0.0001421200000000, 0.0001703500000000, -0.0000234200000000 ] - [ 0.0002926700000000, 0.0002703800000000, -0.0009204600000000 ] - [ -0.0000733000000000, 0.0000042800000000, -0.0000651000000000 ] - [ 0.0002948600000000, -0.0002138700000000, -0.0003920500000000 ] - [ 0.0000830200000000, 0.0001245000000000, -0.0000669600000000 ] - [ 0.0001180200000000, 0.0000243700000000, -0.0009159700000000 ] - [ -0.0000378900000000, 0.0000947900000000, -0.0000279500000000 ] - [ 0.0001723700000000, -0.0001704100000000, -0.0003868900000000 ] - [ -0.0002912800000000, 0.0000765100000000, -0.0004659600000000 ] - [ 0.0003745900000000, 0.0001330800000000, -0.0001358200000000 ] - [ -0.0001646300000000, -0.0005208400000000, -0.0005914000000000 ] - [ 0.0001101000000000, -0.0000438100000000, -0.0000470500000000 ] - [ 0.0003626100000000, -0.0002169100000000, -0.0004640900000000 ] - [ -0.0004594100000000, -0.0002160300000000, -0.0005883800000000 ] - [ 0.0001641400000000, 0.0002785500000000, -0.0001402500000000 ] - [ 0.0000324100000000, -0.0001448900000000, -0.0000496200000000 ] - [ -0.0015167300000000, -0.0020186800000000, 0.0000278100000000 ] - [ 0.0005729000000000, -0.0001212800000000, 0.0007146300000000 ] - [ -0.0002343900000000, 0.0004162400000000, 0.0007113000000000 ] - [ 0.0022200900000000, 0.0045649400000000, -0.0013107600000000 ] - [ -0.0002944100000000, -0.0000186800000000, -0.0007620900000000 ] - [ -0.0003400600000000, -0.0000530400000000, -0.0007780400000000 ] - [ -0.0002962500000000, -0.0000557900000000, -0.0007762800000000 ] - [ -0.0003727200000000, -0.0000932100000000, -0.0008557600000000 ] - [ 0.0006419200000000, -0.0006108700000000, 0.0051078300000000 ] - [ 0.0004347300000000, -0.0002894100000000, 0.0012923900000000 ] - [ 0.0018771500000000, -0.0002352200000000, 0.0032800500000000 ] - [ -0.0002274700000000, -0.0004898400000000, 0.0025104400000000 ] - [ 0.0000114600000000, 0.0000954100000000, -0.0003407200000000 ] - [ 0.0000148000000000, 0.0000862500000000, -0.0003146200000000 ] - [ 0.0000088300000000, 0.0000927300000000, -0.0003393200000000 ] - [ 0.0000033700000000, 0.0000886800000000, -0.0003372500000000 ] - [ -0.0003111200000000, -0.0000970600000000, 0.0051017500000000 ] - [ -0.0004191100000000, -0.0002654600000000, 0.0025129100000000 ] - [ -0.0001327900000000, -0.0005588300000000, 0.0012927500000000 ] - [ -0.0014226600000000, -0.0015540800000000, 0.0032775000000000 ] - [ 0.0000733300000000, -0.0000506200000000, -0.0003393500000000 ] - [ 0.0000742200000000, -0.0000542300000000, -0.0003354200000000 ] - [ 0.0000704300000000, -0.0000593200000000, -0.0003174400000000 ] - [ 0.0000755700000000, -0.0000529100000000, -0.0003411900000000 ] - [ 0.0086738700000000, -0.0152614200000000, -0.0192878400000000 ] - [ -0.0005190300000000, -0.0002804400000000, 0.0005595000000000 ] - [ -0.0003705000000000, 0.0004149800000000, 0.0009478200000000 ] - [ 0.0002305700000000, 0.0000040800000000, 0.0005595300000000 ] - [ 0.0002107900000000, -0.0002226000000000, -0.0008353600000000 ] - [ 0.0002016000000000, -0.0002312400000000, -0.0007506900000000 ] - [ 0.0002496600000000, -0.0002982800000000, -0.0008360800000000 ] - [ 0.0001766100000000, -0.0002647600000000, -0.0007542400000000 ] - [ -0.0003830100000000, 0.0000609500000000, -0.0007606900000000 ] - [ -0.0002644200000000, 0.0001584800000000, -0.0008573800000000 ] - [ -0.0003809100000000, -0.0000249800000000, -0.0008097300000000 ] - [ -0.0002569000000000, 0.0000252400000000, -0.0007296700000000 ] - [ 0.0005911300000000, -0.0002136300000000, 0.0000407400000000 ] - [ -0.0020721300000000, -0.0008565500000000, -0.0027171700000000 ] - [ 0.0001632000000000, 0.0005205000000000, 0.0000061200000000 ] - [ -0.0002007900000000, -0.0003230000000000, 0.0000530400000000 ] - [ -0.0120199100000000, 0.0008298900000000, -0.0117116800000000 ] - [ 0.0011291800000000, 0.0000947900000000, 0.0003862800000000 ] - [ 0.0002061300000000, -0.0007923900000000, 0.0007529100000000 ] - [ -0.0000816300000000, 0.0001609200000000, 0.0007521300000000 ] - [ 0.0001413700000000, 0.0003490900000000, -0.0008526500000000 ] - [ 0.0000836400000000, 0.0002990900000000, -0.0007828600000000 ] - [ 0.0001361400000000, 0.0003114700000000, -0.0007694100000000 ] - [ 0.0001019400000000, 0.0002729500000000, -0.0007694200000000 ] - [ 0.0000446700000000, -0.0003022900000000, -0.0007598700000000 ] - [ 0.0001707900000000, -0.0003762100000000, -0.0009418100000000 ] - [ 0.0001231600000000, -0.0002874100000000, -0.0006920100000000 ] - [ 0.0001197300000000, -0.0002743900000000, -0.0007735200000000 ] - [ 0.0005161900000000, 0.0003272000000000, 0.0001448800000000 ] - [ -0.0016945900000000, 0.0015996800000000, -0.0031721500000000 ] - [ -0.0001391800000000, -0.0001703800000000, 0.0000300400000000 ] - [ 0.0010307000000000, -0.0030637600000000, -0.0025887200000000 ] - [ 0.0001401300000000, 0.0002860300000000, -0.0008561500000000 ] - [ 0.0002837800000000, 0.0002967600000000, -0.0008098400000000 ] - [ 0.0001967800000000, 0.0001645600000000, -0.0007598900000000 ] - [ 0.0002099600000000, 0.0002728100000000, -0.0007292400000000 ] - [ 0.0027810900000000, 0.0008598700000000, -0.0027189600000000 ] - [ -0.0010177300000000, 0.0000800000000000, 0.0000091100000000 ] - [ 0.0001646700000000, 0.0002062400000000, 0.0000397800000000 ] - [ -0.0003436200000000, -0.0004604300000000, 0.0000548800000000 ] - [ -0.0127206600000000, -0.0231533100000000, -0.0393956800000000 ] - [ -0.0005139000000000, 0.0002218900000000, -0.0031592400000000 ] - [ -0.0004595100000000, 0.0005931000000000, -0.0037279400000000 ] - [ 0.0000340000000000, -0.0013105200000000, -0.0051174400000000 ] - [ -0.0000162500000000, -0.0000601300000000, 0.0015539100000000 ] - [ 0.0000143200000000, -0.0000097800000000, 0.0014592600000000 ] - [ -0.0000430200000000, 0.0000123400000000, 0.0014839700000000 ] - [ 0.0000436700000000, 0.0000573700000000, 0.0014872200000000 ] - [ 0.0004940800000000, -0.0000780200000000, 0.0015376800000000 ] - [ -0.0005793400000000, -0.0003135600000000, 0.0019117900000000 ] - [ 0.0001932100000000, 0.0004974900000000, 0.0012937200000000 ] - [ -0.0001387000000000, -0.0001735000000000, 0.0012289300000000 ] - [ -0.0023640400000000, -0.0002838900000000, 0.0013902800000000 ] - [ 0.0025206300000000, -0.0001000700000000, 0.0032666000000000 ] - [ -0.0000511400000000, -0.0004021100000000, 0.0001265800000000 ] - [ 0.0006538200000000, 0.0015834300000000, 0.0010537600000000 ] - [ 0.0000344300000000, 0.0000286600000000, 0.0013192100000000 ] - [ -0.0000386000000000, 0.0000620900000000, 0.0013939900000000 ] - [ -0.0000117900000000, -0.0000310100000000, 0.0013012600000000 ] - [ 0.0000160100000000, -0.0000579900000000, 0.0014305600000000 ] - [ -0.0001307800000000, -0.0000460000000000, -0.0023375800000000 ] - [ 0.0008962200000000, -0.0022688800000000, -0.0031021000000000 ] - [ 0.0005342800000000, 0.0002454700000000, -0.0020917900000000 ] - [ 0.0037498600000000, -0.0084101400000000, -0.0125150300000000 ] - [ 0.0010234200000000, 0.0008001700000000, 0.0001982900000000 ] - [ -0.0020053400000000, 0.0028407100000000, 0.0018822800000000 ] - [ -0.0003272800000000, -0.0003065200000000, -0.0001791200000000 ] - [ 0.0002934500000000, -0.0033815000000000, 0.0025927500000000 ] - [ -0.0000584000000000, -0.0001048700000000, 0.0011510400000000 ] - [ 0.0000126500000000, -0.0001745000000000, 0.0013568900000000 ] - [ 0.0001458100000000, 0.0000871700000000, 0.0011877600000000 ] - [ -0.0001115600000000, 0.0001861100000000, 0.0017595500000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0134068200000000, -0.0119515000000000, 0.0015447300000000 ] - [ 0.0135206200000000, 0.0120981500000000, 0.0015489700000000 ] - [ -0.0073642400000000, 0.0000292500000000, -0.0030955600000000 ] - [ 0.0017186100000000, -0.0000059700000000, -0.0000011900000000 ] - [ -0.0000000700000000, -0.0000258300000000, 0.0000015600000000 ] - [ 0.0000017000000000, 0.0000238100000000, -0.0000010200000000 ] - [ -0.0000433500000000, -0.0000018200000000, 0.0000020700000000 ] - [ 0.0000419300000000, -0.0000010500000000, -0.0000004700000000 ] - [ -0.0013988300000000, 0.0000711600000000, 0.0000018100000000 ] - [ 0.0011205700000000, -0.0000677900000000, -0.0001261100000000 ] - [ -0.0000111200000000, -0.0007078400000000, -0.0000239800000000 ] - [ 0.0000016800000000, 0.0005946400000000, 0.0001425400000000 ] - [ -0.0013995100000000, -0.0000737900000000, -0.0000006300000000 ] - [ 0.0011200300000000, 0.0000661800000000, -0.0001196100000000 ] - [ 0.0000020500000000, -0.0005954200000000, 0.0001455100000000 ] - [ -0.0000114400000000, 0.0007038500000000, -0.0000183600000000 ] - [ 0.0318484100000000, 0.0156833800000000, 0.0127253300000000 ] - [ -0.0052178800000000, 0.0010567200000000, 0.0007355500000000 ] - [ -0.0013211500000000, 0.0028143800000000, 0.0006801500000000 ] - [ 0.0002121500000000, -0.0042273100000000, 0.0001891100000000 ] - [ -0.0000172200000000, 0.0001435700000000, 0.0002332900000000 ] - [ -0.0001476100000000, 0.0001663500000000, 0.0002005700000000 ] - [ -0.0001064100000000, 0.0002233600000000, 0.0002637900000000 ] - [ -0.0000651200000000, 0.0001031600000000, 0.0001704000000000 ] - [ -0.0000734300000000, 0.0005760400000000, -0.0023038600000000 ] - [ -0.0011969800000000, -0.0012635400000000, 0.0025946800000000 ] - [ 0.0001823400000000, 0.0000882700000000, 0.0002769000000000 ] - [ -0.0000678600000000, 0.0003438900000000, -0.0004375000000000 ] - [ 0.0001441600000000, -0.0002632400000000, 0.0007973300000000 ] - [ -0.0004032600000000, -0.0000727000000000, -0.0002767600000000 ] - [ 0.0000274400000000, 0.0000641200000000, 0.0000232500000000 ] - [ -0.0002033900000000, -0.0004383700000000, 0.0003610200000000 ] - [ -0.0010744600000000, 0.0004213000000000, -0.0001470600000000 ] - [ 0.0014044900000000, -0.0011179200000000, 0.0013954700000000 ] - [ 0.0008234600000000, -0.0008245800000000, -0.0012121100000000 ] - [ -0.0017157900000000, 0.0018065300000000, 0.0019294700000000 ] - [ -0.0005224300000000, 0.0004428600000000, 0.0007399100000000 ] - [ 0.0003977800000000, -0.0000593700000000, -0.0003408600000000 ] - [ 0.0000233200000000, -0.0000228100000000, 0.0003963400000000 ] - [ -0.0002139500000000, 0.0002032800000000, 0.0000015900000000 ] - [ -0.0000317900000000, 0.0007298700000000, -0.0007197500000000 ] - [ -0.0001962300000000, -0.0008113800000000, 0.0005380200000000 ] - [ 0.0026827900000000, 0.0010308200000000, 0.0015820800000000 ] - [ -0.0016257000000000, -0.0003317600000000, -0.0008240600000000 ] - [ 0.0003083400000000, 0.0003459200000000, 0.0005345000000000 ] - [ -0.0000366600000000, -0.0002056900000000, -0.0001131200000000 ] - [ 0.0006347300000000, 0.0000793200000000, 0.0001973100000000 ] - [ -0.0002173000000000, -0.0000959600000000, 0.0003030400000000 ] - [ 0.0264393300000000, 0.0153926100000000, 0.0128614300000000 ] - [ -0.0050923300000000, 0.0004062800000000, -0.0009588800000000 ] - [ -0.0018033700000000, 0.0028221000000000, -0.0006689600000000 ] - [ 0.0002874700000000, -0.0047600400000000, 0.0009419600000000 ] - [ -0.0000985100000000, -0.0000091000000000, -0.0001810200000000 ] - [ -0.0002652500000000, -0.0000096400000000, -0.0002561100000000 ] - [ -0.0001959200000000, 0.0000372000000000, -0.0002063600000000 ] - [ -0.0001719400000000, -0.0000497000000000, -0.0002496100000000 ] - [ 0.0268473100000000, -0.0158438700000000, 0.0136704200000000 ] - [ -0.0047338200000000, -0.0004093500000000, -0.0005294900000000 ] - [ 0.0006322300000000, 0.0047335700000000, 0.0013752900000000 ] - [ -0.0014378300000000, -0.0028474100000000, -0.0002337800000000 ] - [ 0.0002612300000000, -0.0000072000000000, 0.0002592100000000 ] - [ 0.0000958800000000, -0.0000037000000000, 0.0001825700000000 ] - [ 0.0001886600000000, 0.0000359000000000, 0.0001923600000000 ] - [ 0.0001620600000000, -0.0000483700000000, 0.0002316800000000 ] - [ 0.0541715200000000, -0.0047963000000000, -0.0239971800000000 ] - [ -0.0076526100000000, 0.0001661500000000, -0.0009117900000000 ] - [ -0.0002337300000000, 0.0019209000000000, 0.0001513300000000 ] - [ -0.0005172400000000, -0.0022033700000000, 0.0005002600000000 ] - [ -0.0000355000000000, -0.0001419000000000, 0.0001573500000000 ] - [ -0.0001639500000000, -0.0001642500000000, 0.0002863400000000 ] - [ -0.0000988200000000, -0.0001319000000000, 0.0002264400000000 ] - [ -0.0000931800000000, -0.0001715000000000, 0.0002041900000000 ] - [ 0.0577421700000000, 0.0046327400000000, -0.0270728100000000 ] - [ -0.0074138400000000, -0.0004644000000000, -0.0013346600000000 ] - [ -0.0003401000000000, 0.0019131600000000, 0.0000759200000000 ] - [ -0.0000484300000000, -0.0022350500000000, -0.0002870000000000 ] - [ 0.0001665100000000, -0.0001640600000000, -0.0002912300000000 ] - [ 0.0000251700000000, -0.0001369500000000, -0.0001509700000000 ] - [ 0.0001007900000000, -0.0001358600000000, -0.0002387400000000 ] - [ 0.0001020400000000, -0.0001755000000000, -0.0002244900000000 ] - [ -0.0004036100000000, 0.0002211700000000, -0.0005535900000000 ] - [ -0.0000570900000000, -0.0003247000000000, 0.0000916400000000 ] - [ 0.0002743600000000, -0.0000608600000000, -0.0002396100000000 ] - [ -0.0005785800000000, 0.0001136900000000, -0.0001316200000000 ] - [ -0.0005533600000000, 0.0008225600000000, 0.0000981700000000 ] - [ -0.0003830400000000, -0.0007199500000000, -0.0011515400000000 ] - [ 0.0023092400000000, -0.0010108200000000, 0.0011328200000000 ] - [ -0.0019814400000000, 0.0003479900000000, -0.0012719200000000 ] - [ 0.0318418500000000, -0.0147220700000000, 0.0117744400000000 ] - [ -0.0050526800000000, -0.0007487000000000, 0.0003075500000000 ] - [ 0.0003912100000000, 0.0045490900000000, -0.0002480500000000 ] - [ -0.0011586100000000, -0.0024867500000000, 0.0002393300000000 ] - [ 0.0001491800000000, 0.0001740200000000, -0.0002074800000000 ] - [ 0.0000192600000000, 0.0001579400000000, -0.0002437200000000 ] - [ 0.0001045000000000, 0.0002093500000000, -0.0002650000000000 ] - [ 0.0000636800000000, 0.0000959800000000, -0.0001792500000000 ] - [ -0.0002380600000000, -0.0002438100000000, -0.0007087000000000 ] - [ 0.0003112500000000, -0.0000589100000000, 0.0003602800000000 ] - [ 0.0001979700000000, -0.0003768000000000, -0.0004048400000000 ] - [ -0.0000377000000000, 0.0001132000000000, -0.0000787600000000 ] - [ -0.0010332300000000, 0.0009475200000000, 0.0021539400000000 ] - [ 0.0001016200000000, -0.0008975200000000, -0.0027477300000000 ] - [ 0.0003486400000000, -0.0004139000000000, -0.0001725700000000 ] - [ 0.0000987700000000, -0.0006590400000000, -0.0008788900000000 ] - [ 0.0005863300000000, 0.0003627200000000, -0.0007746200000000 ] - [ -0.0003304800000000, -0.0001376000000000, 0.0003039100000000 ] - [ 0.0002116200000000, 0.0003234700000000, -0.0000339200000000 ] - [ -0.0000241800000000, 0.0000968400000000, -0.0004329300000000 ] - [ 0.0015852000000000, 0.0014182700000000, 0.0009594500000000 ] - [ -0.0008776400000000, -0.0001210000000000, -0.0005935700000000 ] - [ 0.0010213800000000, 0.0011274500000000, -0.0016575900000000 ] - [ -0.0015289700000000, -0.0015038800000000, 0.0014881800000000 ] - [ -0.2486607100000000, -0.0004146600000000, 0.0000447100000000 ] - [ 0.0168232200000000, -0.0000003800000000, -0.0005854800000000 ] - [ 0.0023287100000000, -0.0083678200000000, 0.0002901700000000 ] - [ 0.0023303100000000, 0.0083680400000000, 0.0002892700000000 ] - [ -0.0002105600000000, -0.0000015800000000, 0.0000072300000000 ] - [ 0.0002115700000000, -0.0000004800000000, -0.0000143900000000 ] - [ -0.0000020700000000, -0.0001233700000000, 0.0000161700000000 ] - [ -0.0000010700000000, 0.0001255400000000, 0.0000155800000000 ] - [ 0.0009321400000000, -0.0010633600000000, 0.0023372300000000 ] - [ -0.0000821200000000, 0.0016417500000000, -0.0025814600000000 ] - [ -0.0019178400000000, -0.0005781800000000, 0.0002192800000000 ] - [ 0.0018848300000000, -0.0000009800000000, -0.0000105300000000 ] - [ -0.0000749700000000, -0.0016416100000000, -0.0025653400000000 ] - [ 0.0009247000000000, 0.0010628200000000, 0.0023506500000000 ] - [ -0.0019158600000000, 0.0005832700000000, 0.0002266100000000 ] - [ 0.0018825500000000, -0.0000041200000000, 0.0000059800000000 ] - [ -0.0000109100000000, 0.0001325600000000, 0.0003722200000000 ] - [ 0.0000165300000000, -0.0001807800000000, -0.0004238400000000 ] - [ 0.0002485700000000, 0.0000924200000000, -0.0000015800000000 ] - [ -0.0002648700000000, -0.0000465700000000, 0.0000477100000000 ] - [ 0.0068174500000000, 0.0109876000000000, -0.0120844900000000 ] - [ 0.0070826400000000, -0.0053793100000000, 0.0096262000000000 ] - [ 0.0025079500000000, -0.0006948300000000, 0.0000074000000000 ] - [ -0.0072044900000000, 0.0025582500000000, 0.0025010900000000 ] - [ 0.0071149100000000, 0.0053385700000000, 0.0095694800000000 ] - [ 0.0068132700000000, -0.0110096100000000, -0.0121473600000000 ] - [ 0.0025075200000000, 0.0007124200000000, -0.0000120000000000 ] - [ -0.0072181200000000, -0.0025919200000000, 0.0025179800000000 ] - [ 0.0000197400000000, 0.0001794800000000, -0.0004146900000000 ] - [ -0.0000101700000000, -0.0001327400000000, 0.0003813100000000 ] - [ 0.0002496700000000, -0.0000906300000000, 0.0000078600000000 ] - [ -0.0002661600000000, 0.0000495000000000, 0.0000552600000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0015170300000000, 0.0025815200000000, -0.0119272300000000 ] - [ 0.0014771500000000, -0.0026045500000000, -0.0119272300000000 ] - [ -0.0029941800000000, 0.0000230300000000, -0.0119272300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036085300000000 ] - [ -0.0000002300000000, -0.0000002900000000, 0.0013827200000000 ] - [ -0.0000001400000000, 0.0000003500000000, 0.0013827200000000 ] - [ 0.0000003700000000, -0.0000000600000000, 0.0013827200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013466000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030181400000000 ] - [ -0.0001224200000000, -0.0000777600000000, 0.0009114200000000 ] - [ 0.0001285500000000, -0.0000671400000000, 0.0009114200000000 ] - [ -0.0000061300000000, 0.0001448900000000, 0.0009114200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030332600000000 ] - [ -0.0001226900000000, 0.0000763300000000, 0.0009097800000000 ] - [ -0.0000047600000000, -0.0001444100000000, 0.0009097800000000 ] - [ 0.0001274500000000, 0.0000680800000000, 0.0009097800000000 ] - [ 0.0149618400000000, 0.0231362200000000, 0.0396078800000000 ] - [ 0.0011418400000000, 0.0002194000000000, 0.0033779100000000 ] - [ -0.0011417300000000, 0.0019973400000000, 0.0039504300000000 ] - [ 0.0007375400000000, 0.0029343500000000, 0.0053388200000000 ] - [ -0.0000558200000000, -0.0003138900000000, -0.0013246500000000 ] - [ -0.0000695600000000, -0.0002948200000000, -0.0012268000000000 ] - [ -0.0000440500000000, -0.0003372700000000, -0.0012527100000000 ] - [ -0.0000638200000000, -0.0003424500000000, -0.0012572300000000 ] - [ -0.0019717200000000, 0.0008621000000000, -0.0030338700000000 ] - [ 0.0010951100000000, 0.0003939800000000, -0.0011681700000000 ] - [ -0.0000340100000000, -0.0010397600000000, 0.0001011200000000 ] - [ 0.0002348700000000, 0.0009626200000000, -0.0008255000000000 ] - [ 0.0003472800000000, 0.0003948900000000, -0.0016905300000000 ] - [ -0.0005309200000000, 0.0002291800000000, -0.0013120400000000 ] - [ -0.0000187500000000, 0.0005168200000000, -0.0010681000000000 ] - [ -0.0000333300000000, 0.0001479700000000, -0.0010053900000000 ] - [ -0.0008834500000000, 0.0005493300000000, 0.0001011200000000 ] - [ 0.0017324600000000, 0.0012765100000000, -0.0030338700000000 ] - [ -0.0002063500000000, -0.0011453800000000, -0.0011681700000000 ] - [ 0.0007162200000000, -0.0006847100000000, -0.0008255000000000 ] - [ 0.0004569600000000, -0.0002421800000000, -0.0010681000000000 ] - [ 0.0001683400000000, -0.0004982000000000, -0.0016905300000000 ] - [ 0.0004639300000000, 0.0003452000000000, -0.0013120400000000 ] - [ 0.0001448100000000, -0.0000451200000000, -0.0010053900000000 ] - [ -0.0008887500000000, 0.0007514000000000, -0.0011681700000000 ] - [ 0.0009174600000000, 0.0004904200000000, 0.0001011200000000 ] - [ 0.0002392600000000, -0.0021386100000000, -0.0030338700000000 ] - [ -0.0009510900000000, -0.0002779100000000, -0.0008255000000000 ] - [ 0.0000669800000000, -0.0005743800000000, -0.0013120400000000 ] - [ -0.0004382100000000, -0.0002746500000000, -0.0010681000000000 ] - [ -0.0005156200000000, 0.0001033100000000, -0.0016905300000000 ] - [ -0.0001114800000000, -0.0001028500000000, -0.0010053900000000 ] - [ 0.0114438400000000, 0.0231507400000000, 0.0383455400000000 ] - [ 0.0019632500000000, 0.0000426900000000, 0.0034930500000000 ] - [ -0.0007226000000000, 0.0011370300000000, 0.0029222100000000 ] - [ 0.0018344900000000, 0.0021422500000000, 0.0048777700000000 ] - [ -0.0005809100000000, -0.0001710700000000, -0.0017820500000000 ] - [ -0.0006086000000000, -0.0001730000000000, -0.0017110300000000 ] - [ -0.0005564000000000, -0.0001731900000000, -0.0016833500000000 ] - [ -0.0006011800000000, -0.0001929900000000, -0.0017138900000000 ] - [ 0.0125556300000000, -0.0245254400000000, 0.0396078800000000 ] - [ 0.0023006100000000, -0.0000099000000000, 0.0039504300000000 ] - [ 0.0021724500000000, -0.0021059000000000, 0.0053388200000000 ] - [ -0.0003809100000000, -0.0010985600000000, 0.0033779100000000 ] - [ -0.0002439300000000, 0.0002052800000000, -0.0013246500000000 ] - [ -0.0002700600000000, 0.0002067900000000, -0.0012527100000000 ] - [ -0.0002646600000000, 0.0002265000000000, -0.0012572300000000 ] - [ -0.0002205400000000, 0.0002076500000000, -0.0012268000000000 ] - [ -0.0275174700000000, 0.0013892200000000, 0.0396078800000000 ] - [ -0.0029099900000000, -0.0008284400000000, 0.0053388200000000 ] - [ -0.0007609300000000, 0.0008791600000000, 0.0033779100000000 ] - [ -0.0011588800000000, -0.0019874400000000, 0.0039504300000000 ] - [ 0.0002997500000000, 0.0001086000000000, -0.0013246500000000 ] - [ 0.0003284800000000, 0.0001159500000000, -0.0012572300000000 ] - [ 0.0002901000000000, 0.0000871700000000, -0.0012268000000000 ] - [ 0.0003141100000000, 0.0001304800000000, -0.0012527100000000 ] - [ -0.0257710500000000, -0.0016647100000000, 0.0383455400000000 ] - [ -0.0027724900000000, 0.0005175900000000, 0.0048777700000000 ] - [ -0.0010186000000000, 0.0016788800000000, 0.0034930500000000 ] - [ -0.0006234000000000, -0.0011943000000000, 0.0029222100000000 ] - [ 0.0004386100000000, -0.0004175500000000, -0.0017820500000000 ] - [ 0.0004677200000000, -0.0004241500000000, -0.0017138900000000 ] - [ 0.0004541200000000, -0.0004405600000000, -0.0017110300000000 ] - [ 0.0004281900000000, -0.0003952600000000, -0.0016833500000000 ] - [ -0.0007728800000000, 0.0002393000000000, -0.0015178900000000 ] - [ -0.0002696700000000, 0.0005396300000000, -0.0017584400000000 ] - [ -0.0008479400000000, -0.0001351800000000, -0.0021343500000000 ] - [ -0.0004479300000000, 0.0000683800000000, -0.0014551300000000 ] - [ 0.0005842200000000, -0.0005270400000000, -0.0003561300000000 ] - [ -0.0012241400000000, -0.0007910000000000, -0.0016215400000000 ] - [ -0.0000960400000000, 0.0021234500000000, -0.0035101900000000 ] - [ -0.0012889300000000, 0.0002434900000000, -0.0012829500000000 ] - [ 0.0143272100000000, -0.0214860300000000, 0.0383455400000000 ] - [ 0.0013459900000000, 0.0000572700000000, 0.0029222100000000 ] - [ 0.0009380000000000, -0.0026598400000000, 0.0048777700000000 ] - [ -0.0009446500000000, -0.0017215700000000, 0.0034930500000000 ] - [ 0.0001423000000000, 0.0005886200000000, -0.0017820500000000 ] - [ 0.0001282100000000, 0.0005684500000000, -0.0016833500000000 ] - [ 0.0001334600000000, 0.0006171300000000, -0.0017138900000000 ] - [ 0.0001544700000000, 0.0006135600000000, -0.0017110300000000 ] - [ -0.0003325000000000, -0.0005033600000000, -0.0017584400000000 ] - [ 0.0005410400000000, -0.0006667500000000, -0.0021343500000000 ] - [ 0.0001792000000000, -0.0007889900000000, -0.0015178900000000 ] - [ 0.0001647500000000, -0.0004221100000000, -0.0014551300000000 ] - [ 0.0012971000000000, -0.0006646400000000, -0.0016215400000000 ] - [ -0.0017909400000000, -0.0011448900000000, -0.0035101900000000 ] - [ 0.0001643200000000, 0.0007694600000000, -0.0003561300000000 ] - [ 0.0004335900000000, -0.0012379900000000, -0.0012829500000000 ] - [ 0.0003069000000000, 0.0008019300000000, -0.0021343500000000 ] - [ 0.0005936800000000, 0.0005496800000000, -0.0015178900000000 ] - [ 0.0006021700000000, -0.0000362800000000, -0.0017584400000000 ] - [ 0.0002831800000000, 0.0003537300000000, -0.0014551300000000 ] - [ 0.0018869800000000, -0.0009785500000000, -0.0035101900000000 ] - [ -0.0007485400000000, -0.0002424300000000, -0.0003561300000000 ] - [ -0.0000729600000000, 0.0014556400000000, -0.0016215400000000 ] - [ 0.0008553300000000, 0.0009945000000000, -0.0012829500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2335631000000000 ] - [ -0.0005818600000000, 0.0000000100000000, -0.0118582800000000 ] - [ 0.0002909200000000, -0.0005039100000000, -0.0118582800000000 ] - [ 0.0002909400000000, 0.0005039000000000, -0.0118582800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041653700000000 ] - [ -0.0000213500000000, -0.0000002000000000, 0.0039309900000000 ] - [ 0.0000108500000000, -0.0000183900000000, 0.0039309900000000 ] - [ 0.0000105000000000, 0.0000185900000000, 0.0039309900000000 ] - [ 0.0023417600000000, -0.0016083800000000, 0.0043728000000000 ] - [ -0.0025637800000000, -0.0012238400000000, 0.0043728000000000 ] - [ 0.0002220200000000, 0.0028322200000000, 0.0043728000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027000100000000 ] - [ -0.0025830000000000, 0.0012276800000000, 0.0043820200000000 ] - [ 0.0023547000000000, 0.0016231000000000, 0.0043820200000000 ] - [ 0.0002282900000000, -0.0028507800000000, 0.0043820200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026986400000000 ] - [ 0.0002777600000000, 0.0001537400000000, 0.0037227300000000 ] - [ -0.0002720200000000, 0.0001636800000000, 0.0037227300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033409000000000 ] - [ -0.0000057400000000, -0.0003174200000000, 0.0037227300000000 ] - [ -0.0097952900000000, -0.0081075700000000, 0.0035312700000000 ] - [ 0.0119190000000000, -0.0044291800000000, 0.0035312700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026874100000000 ] - [ -0.0021237200000000, 0.0125367500000000, 0.0035312700000000 ] - [ 0.0118822500000000, 0.0043940900000000, 0.0035502800000000 ] - [ -0.0097465200000000, 0.0080932900000000, 0.0035502800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026760900000000 ] - [ -0.0021357300000000, -0.0124873800000000, 0.0035502800000000 ] - [ -0.0002757200000000, -0.0001634500000000, 0.0037307000000000 ] - [ 0.0002794200000000, -0.0001570600000000, 0.0037307000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033462600000000 ] - [ -0.0000036900000000, 0.0003205100000000, 0.0037307000000000 ]- atom: 129 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000582300000000, -0.0000117000000000, -0.0000150100000000 ] - [ 0.0000594900000000, 0.0000292700000000, 0.0000003600000000 ] - [ 0.0000037600000000, -0.0000446800000000, 0.0001414300000000 ] - [ 0.0000021500000000, 0.0000266200000000, -0.0001281900000000 ] - [ -0.0033051900000000, 0.0008995200000000, -0.0006486700000000 ] - [ 0.0014032100000000, -0.0003445200000000, -0.0000019900000000 ] - [ 0.0021490200000000, -0.0022973200000000, -0.0033401300000000 ] - [ 0.0021962600000000, 0.0040345300000000, 0.0039763400000000 ] - [ 0.0021936700000000, 0.0040555400000000, 0.0040001600000000 ] - [ 0.0021685900000000, -0.0022788800000000, -0.0033232000000000 ] - [ 0.0014028600000000, -0.0003558200000000, 0.0000012000000000 ] - [ -0.0033125500000000, 0.0009191900000000, -0.0006636900000000 ] - [ 0.0000009700000000, 0.0000284500000000, -0.0001255400000000 ] - [ 0.0000043400000000, -0.0000444500000000, 0.0001414500000000 ] - [ 0.0000592300000000, 0.0000299500000000, 0.0000007400000000 ] - [ -0.0000581000000000, -0.0000094900000000, -0.0000143500000000 ] - [ -0.0001087300000000, 0.0000965600000000, 0.0002040000000000 ] - [ -0.0000992300000000, 0.0001752100000000, 0.0002752700000000 ] - [ -0.0001657400000000, 0.0001377000000000, 0.0002456900000000 ] - [ -0.0000379800000000, 0.0001450800000000, 0.0002185500000000 ] - [ -0.0019056700000000, -0.0022054400000000, 0.0003600800000000 ] - [ 0.0000111900000000, 0.0048905000000000, -0.0006537100000000 ] - [ -0.0028002600000000, -0.0010679700000000, -0.0002944900000000 ] - [ 0.0085086100000000, -0.0044588300000000, -0.0036817400000000 ] - [ 0.0023214100000000, -0.0011960300000000, -0.0000533000000000 ] - [ -0.0012748900000000, 0.0001940300000000, 0.0005610600000000 ] - [ -0.0007656700000000, 0.0010370700000000, -0.0007902100000000 ] - [ -0.0002845600000000, -0.0018588100000000, 0.0022409400000000 ] - [ 0.0001196000000000, -0.0001685700000000, 0.0003440100000000 ] - [ -0.0002903000000000, -0.0000406100000000, 0.0000881700000000 ] - [ -0.0001375200000000, -0.0000347700000000, 0.0002919900000000 ] - [ -0.0000933200000000, -0.0002994700000000, 0.0002188900000000 ] - [ -0.0001789900000000, 0.0013823200000000, 0.0017002200000000 ] - [ -0.0005067700000000, -0.0005862600000000, -0.0001960100000000 ] - [ 0.0026173100000000, 0.0014731600000000, -0.0025440300000000 ] - [ -0.0017086100000000, -0.0002330300000000, 0.0014356600000000 ] - [ 0.0000267300000000, 0.0002794900000000, 0.0000858400000000 ] - [ -0.0001958900000000, 0.0001069200000000, 0.0003828500000000 ] - [ 0.0000745700000000, 0.0001530800000000, 0.0003418800000000 ] - [ -0.0001745500000000, 0.0000895300000000, 0.0001174400000000 ] - [ 0.0003730600000000, -0.0004713600000000, 0.0000559600000000 ] - [ 0.0002921900000000, 0.0004085400000000, 0.0003384600000000 ] - [ -0.0025180900000000, -0.0002079400000000, -0.0032226100000000 ] - [ 0.0006468500000000, 0.0003351400000000, 0.0033019700000000 ] - [ 0.0002446100000000, -0.0000652800000000, 0.0002952100000000 ] - [ 0.0001350100000000, 0.0000534000000000, 0.0002336000000000 ] - [ -0.0000330200000000, 0.0000266700000000, 0.0003916500000000 ] - [ 0.0003240800000000, -0.0001063700000000, 0.0000153200000000 ] - [ -0.0000158600000000, -0.0000651100000000, -0.0004520900000000 ] - [ -0.0003749600000000, 0.0000655800000000, -0.0000789800000000 ] - [ -0.0002027200000000, 0.0000941700000000, -0.0002344300000000 ] - [ -0.0000947400000000, -0.0000220100000000, -0.0001712700000000 ] - [ 0.0003280200000000, 0.0003722200000000, 0.0028385300000000 ] - [ -0.0028608200000000, -0.0001624900000000, -0.0036902900000000 ] - [ -0.0000499800000000, 0.0004519800000000, -0.0001342100000000 ] - [ 0.0000316000000000, -0.0004405700000000, -0.0004163900000000 ] - [ 0.0001277500000000, 0.0000215600000000, 0.0001615000000000 ] - [ 0.0001995000000000, 0.0000188800000000, 0.0002915200000000 ] - [ 0.0001583000000000, -0.0000022600000000, 0.0002546400000000 ] - [ 0.0001866900000000, 0.0000508300000000, 0.0002268600000000 ] - [ -0.0053676800000000, -0.0006980500000000, 0.0026689900000000 ] - [ 0.0180852600000000, 0.0015003200000000, 0.0092396700000000 ] - [ 0.0002415100000000, -0.0010370100000000, 0.0002844100000000 ] - [ 0.0004083400000000, 0.0017004600000000, 0.0002083700000000 ] - [ -0.0000101200000000, -0.0001812100000000, 0.0001918200000000 ] - [ -0.0001228600000000, -0.0001439700000000, 0.0002752600000000 ] - [ -0.0000851700000000, -0.0001212500000000, 0.0002036800000000 ] - [ -0.0000510300000000, -0.0001792300000000, 0.0002681600000000 ] - [ 0.0082979900000000, 0.0068626000000000, -0.0054392600000000 ] - [ -0.0043368200000000, 0.0012896300000000, 0.0001458400000000 ] - [ -0.0015042700000000, 0.0011134400000000, 0.0007149500000000 ] - [ 0.0019556400000000, -0.0030101100000000, -0.0012822700000000 ] - [ -0.0000403800000000, -0.0002255000000000, -0.0003544400000000 ] - [ 0.0002092300000000, -0.0001595200000000, -0.0001284300000000 ] - [ -0.0000599400000000, -0.0002034400000000, -0.0000889400000000 ] - [ 0.0001547400000000, -0.0000306500000000, -0.0003787200000000 ] - [ -0.0015680600000000, -0.0005510700000000, 0.0009724100000000 ] - [ 0.0027394900000000, 0.0011627200000000, -0.0030106700000000 ] - [ -0.0003745600000000, -0.0008899300000000, -0.0006649800000000 ] - [ -0.0000338900000000, 0.0010609700000000, 0.0012144800000000 ] - [ 0.0000712400000000, 0.0016805100000000, -0.0002614400000000 ] - [ -0.0000931500000000, -0.0010911900000000, -0.0001808400000000 ] - [ 0.0186893800000000, 0.0013758200000000, 0.0096248000000000 ] - [ -0.0056756100000000, -0.0007128800000000, 0.0021476500000000 ] - [ -0.0001509200000000, 0.0000032200000000, -0.0002419300000000 ] - [ -0.0001787500000000, -0.0000445500000000, -0.0002146300000000 ] - [ -0.0001341200000000, -0.0000255800000000, -0.0001749500000000 ] - [ -0.0002082200000000, -0.0000223900000000, -0.0003073600000000 ] - [ 0.0001130800000000, -0.0000346300000000, -0.0002421900000000 ] - [ 0.0000651700000000, 0.0002339300000000, -0.0001742700000000 ] - [ -0.0000866800000000, 0.0002335500000000, -0.0003832100000000 ] - [ 0.0003235100000000, 0.0001006000000000, -0.0001199200000000 ] - [ -0.0000710200000000, -0.0015854000000000, 0.0017626400000000 ] - [ -0.0005616900000000, 0.0013053300000000, -0.0012571200000000 ] - [ -0.0010677900000000, 0.0004700200000000, 0.0000955400000000 ] - [ 0.0025131200000000, -0.0009229300000000, -0.0005333600000000 ] - [ 0.0087419600000000, -0.0046085800000000, -0.0040447200000000 ] - [ -0.0026016600000000, -0.0013566700000000, -0.0007730200000000 ] - [ 0.0002290500000000, 0.0046363000000000, -0.0011239700000000 ] - [ -0.0017134300000000, -0.0024661800000000, -0.0001133800000000 ] - [ 0.0001651900000000, -0.0001335600000000, -0.0002536200000000 ] - [ 0.0000399100000000, -0.0001364400000000, -0.0002227700000000 ] - [ 0.0001074100000000, -0.0001015700000000, -0.0001957600000000 ] - [ 0.0000959700000000, -0.0001821900000000, -0.0002710900000000 ] - [ 0.0021155800000000, -0.0027019900000000, -0.0017580400000000 ] - [ -0.0013770700000000, 0.0014157100000000, 0.0002453000000000 ] - [ -0.0042073400000000, 0.0016135100000000, -0.0003363400000000 ] - [ 0.0083624700000000, 0.0069400700000000, -0.0056834900000000 ] - [ 0.0000838600000000, 0.0001339400000000, -0.0002027500000000 ] - [ 0.0000511200000000, 0.0001933200000000, -0.0002676500000000 ] - [ 0.0000114500000000, 0.0001698000000000, -0.0001937300000000 ] - [ 0.0001266900000000, 0.0001312000000000, -0.0002808400000000 ] - [ -0.0000130400000000, 0.0001971900000000, 0.0002786600000000 ] - [ 0.0000176000000000, -0.0001145500000000, -0.0002740100000000 ] - [ 0.0002496400000000, -0.0000950000000000, -0.0000001400000000 ] - [ -0.0002672500000000, 0.0000159700000000, -0.0000080900000000 ] - [ 0.0067823300000000, 0.0055517100000000, -0.0097905500000000 ] - [ 0.0070967200000000, -0.0108149700000000, 0.0118656200000000 ] - [ 0.0025093000000000, 0.0006919000000000, -0.0000038900000000 ] - [ -0.0071999100000000, -0.0028734800000000, -0.0021057800000000 ] - [ -0.0072246800000000, -0.0029308300000000, -0.0021517000000000 ] - [ 0.0025076000000000, 0.0007145300000000, 0.0000027600000000 ] - [ 0.0070997200000000, -0.0108587300000000, 0.0119329900000000 ] - [ 0.0068470900000000, 0.0054967000000000, -0.0097514200000000 ] - [ -0.0002659900000000, 0.0000154300000000, -0.0000043200000000 ] - [ 0.0002500900000000, -0.0000920800000000, 0.0000016700000000 ] - [ 0.0000174100000000, -0.0001164100000000, -0.0002710800000000 ] - [ -0.0000098300000000, 0.0001945900000000, 0.0002815900000000 ] - [ -0.0796764300000000, 0.0000003600000000, -0.0000125300000000 ] - [ 0.0118998100000000, 0.0002613100000000, 0.0003252600000000 ] - [ 0.0016947800000000, -0.0061520300000000, -0.0008375900000000 ] - [ 0.0012434100000000, 0.0058935500000000, 0.0005129100000000 ] - [ -0.0001113900000000, 0.0000005200000000, -0.0000002500000000 ] - [ 0.0001137700000000, 0.0000056800000000, 0.0000189800000000 ] - [ 0.0000035700000000, -0.0000663800000000, 0.0000047100000000 ] - [ -0.0000052300000000, 0.0000642400000000, -0.0000191000000000 ] - [ -0.0026879700000000, 0.0002387200000000, -0.0000098500000000 ] - [ 0.0020901600000000, -0.0000388700000000, 0.0002248200000000 ] - [ 0.0001420600000000, -0.0011678000000000, 0.0000750700000000 ] - [ 0.0001418700000000, 0.0010846700000000, -0.0003018600000000 ] - [ -0.0026887000000000, 0.0002386700000000, 0.0000082000000000 ] - [ 0.0020894600000000, -0.0000400900000000, 0.0002187000000000 ] - [ 0.0001392200000000, -0.0011629000000000, 0.0000772200000000 ] - [ 0.0001410500000000, 0.0010864600000000, -0.0002957800000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000200200000000, 0.0001527400000000, 0.0012906000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011223400000000 ] - [ 0.0001222600000000, -0.0000937100000000, 0.0012906000000000 ] - [ -0.0001422900000000, -0.0000590300000000, 0.0012906000000000 ] - [ 0.0007908500000000, -0.0045836100000000, 0.0010321100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007033900000000 ] - [ -0.0043649500000000, 0.0016069100000000, 0.0010321100000000 ] - [ 0.0035741000000000, 0.0029767000000000, 0.0010321100000000 ] - [ 0.0035924800000000, 0.0029831400000000, 0.0010191600000000 ] - [ -0.0043797100000000, 0.0016196100000000, 0.0010191600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007087200000000 ] - [ 0.0007872300000000, -0.0046027500000000, 0.0010191600000000 ] - [ -0.0001413400000000, -0.0000603700000000, 0.0012951000000000 ] - [ 0.0001229500000000, -0.0000922200000000, 0.0012951000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011252600000000 ] - [ 0.0000183900000000, 0.0001525900000000, 0.0012951000000000 ] - [ -0.0000983500000000, -0.0002776600000000, -0.0010924800000000 ] - [ -0.0000110300000000, -0.0003456600000000, -0.0011699800000000 ] - [ -0.0000382600000000, -0.0002423600000000, -0.0010744000000000 ] - [ -0.0000822000000000, -0.0002476500000000, -0.0012040100000000 ] - [ 0.0017907100000000, 0.0023382900000000, 0.0025666600000000 ] - [ -0.0017622300000000, 0.0045479200000000, 0.0033294200000000 ] - [ -0.0010950000000000, 0.0002258900000000, 0.0023151700000000 ] - [ -0.0060867300000000, 0.0089210700000000, 0.0127098700000000 ] - [ -0.0010122000000000, -0.0019776600000000, -0.0023687600000000 ] - [ 0.0004419700000000, -0.0005014400000000, 0.0004089000000000 ] - [ -0.0007890100000000, 0.0005282300000000, 0.0000294900000000 ] - [ 0.0009665100000000, 0.0019739800000000, -0.0016465000000000 ] - [ 0.0000370100000000, 0.0006856800000000, -0.0015359000000000 ] - [ -0.0001476000000000, 0.0002563200000000, -0.0009684300000000 ] - [ 0.0000759100000000, 0.0001194000000000, -0.0009267000000000 ] - [ -0.0002025500000000, 0.0000736300000000, -0.0011335200000000 ] - [ 0.0012262600000000, -0.0018240100000000, -0.0016465000000000 ] - [ -0.0006552400000000, -0.0001320400000000, 0.0004089000000000 ] - [ -0.0012066100000000, 0.0018654200000000, -0.0023687600000000 ] - [ 0.0008519700000000, 0.0004191900000000, 0.0000294900000000 ] - [ 0.0001650500000000, 0.0001386000000000, -0.0011335200000000 ] - [ 0.0002957800000000, -0.0000003400000000, -0.0009684300000000 ] - [ 0.0005753100000000, -0.0003748900000000, -0.0015359000000000 ] - [ 0.0000654500000000, -0.0001254400000000, -0.0009267000000000 ] - [ -0.0000629500000000, -0.0009474200000000, 0.0000294900000000 ] - [ 0.0002132700000000, 0.0006334700000000, 0.0004089000000000 ] - [ -0.0021927700000000, -0.0001499700000000, -0.0016465000000000 ] - [ 0.0022188000000000, 0.0001122400000000, -0.0023687600000000 ] - [ -0.0001413500000000, 0.0000060400000000, -0.0009267000000000 ] - [ -0.0001481800000000, -0.0002559900000000, -0.0009684300000000 ] - [ 0.0000375100000000, -0.0002122300000000, -0.0011335200000000 ] - [ -0.0006123200000000, -0.0003107900000000, -0.0015359000000000 ] - [ -0.0009527100000000, -0.0002833700000000, -0.0019840500000000 ] - [ -0.0002952800000000, -0.0001862100000000, -0.0015762500000000 ] - [ -0.0004816900000000, -0.0002308400000000, -0.0014087400000000 ] - [ -0.0004753000000000, 0.0000344300000000, -0.0013694100000000 ] - [ 0.0018607400000000, 0.0001284000000000, -0.0028179100000000 ] - [ -0.0025328200000000, -0.0001253400000000, -0.0021169300000000 ] - [ -0.0001270900000000, 0.0006567700000000, -0.0000530500000000 ] - [ -0.0004037800000000, -0.0009200600000000, -0.0004338300000000 ] - [ -0.0002938400000000, 0.0001823800000000, -0.0011699800000000 ] - [ -0.0001733700000000, 0.0001950100000000, -0.0012040100000000 ] - [ -0.0001907600000000, 0.0001543100000000, -0.0010744000000000 ] - [ -0.0001912900000000, 0.0002240000000000, -0.0010924800000000 ] - [ 0.0048197300000000, -0.0007478300000000, 0.0033294200000000 ] - [ 0.0107692400000000, 0.0008107300000000, 0.0127098700000000 ] - [ 0.0007431300000000, 0.0008353500000000, 0.0023151700000000 ] - [ 0.0011296700000000, -0.0027199500000000, 0.0025666600000000 ] - [ 0.0002555700000000, 0.0000526400000000, -0.0012040100000000 ] - [ 0.0002896400000000, 0.0000536600000000, -0.0010924800000000 ] - [ 0.0002290200000000, 0.0000880500000000, -0.0010744000000000 ] - [ 0.0003048600000000, 0.0001632800000000, -0.0011699800000000 ] - [ -0.0046825100000000, -0.0097318000000000, 0.0127098700000000 ] - [ -0.0029203800000000, 0.0003816500000000, 0.0025666600000000 ] - [ 0.0003518700000000, -0.0010612400000000, 0.0023151700000000 ] - [ -0.0030575000000000, -0.0038000900000000, 0.0033294200000000 ] - [ 0.0002078400000000, -0.0004288400000000, -0.0013694100000000 ] - [ 0.0007217600000000, -0.0006833800000000, -0.0019840500000000 ] - [ 0.0004407500000000, -0.0003017400000000, -0.0014087400000000 ] - [ 0.0003089000000000, -0.0001626200000000, -0.0015762500000000 ] - [ 0.0009986900000000, 0.0001103500000000, -0.0004338300000000 ] - [ -0.0010415600000000, 0.0015472500000000, -0.0028179100000000 ] - [ -0.0005052300000000, -0.0004384500000000, -0.0000530500000000 ] - [ 0.0013749500000000, -0.0021308100000000, -0.0021169300000000 ] - [ 0.0007947900000000, -0.0027399400000000, 0.0021248000000000 ] - [ 0.0004074400000000, 0.0008059100000000, 0.0018727400000000 ] - [ 0.0110511400000000, 0.0007333300000000, 0.0125999800000000 ] - [ 0.0044829500000000, -0.0007766700000000, 0.0028995600000000 ] - [ -0.0005300200000000, 0.0001962000000000, -0.0015432300000000 ] - [ -0.0005270700000000, 0.0001278800000000, -0.0015255500000000 ] - [ -0.0005102200000000, 0.0001685900000000, -0.0016526400000000 ] - [ -0.0006263700000000, 0.0001550700000000, -0.0016177800000000 ] - [ -0.0000136200000000, 0.0003488300000000, -0.0015762500000000 ] - [ 0.0002674700000000, 0.0003944100000000, -0.0013694100000000 ] - [ 0.0000409300000000, 0.0005325700000000, -0.0014087400000000 ] - [ 0.0002309400000000, 0.0009667600000000, -0.0019840500000000 ] - [ 0.0011578600000000, 0.0022561500000000, -0.0021169300000000 ] - [ -0.0005949100000000, 0.0008097100000000, -0.0004338300000000 ] - [ 0.0006323200000000, -0.0002183200000000, -0.0000530500000000 ] - [ -0.0008191800000000, -0.0016756500000000, -0.0028179100000000 ] - [ -0.0061606600000000, 0.0092039000000000, 0.0125999800000000 ] - [ -0.0009016600000000, -0.0000501000000000, 0.0018727400000000 ] - [ -0.0015688600000000, 0.0042706800000000, 0.0028995600000000 ] - [ 0.0019754600000000, 0.0020582800000000, 0.0021248000000000 ] - [ 0.0001091100000000, -0.0005261600000000, -0.0016526400000000 ] - [ 0.0001527900000000, -0.0005204000000000, -0.0015255500000000 ] - [ 0.0001788900000000, -0.0006199900000000, -0.0016177800000000 ] - [ 0.0000950900000000, -0.0005571100000000, -0.0015432300000000 ] - [ -0.0029140900000000, -0.0034940100000000, 0.0028995600000000 ] - [ 0.0004942200000000, -0.0007558100000000, 0.0018727400000000 ] - [ -0.0027702500000000, 0.0006816600000000, 0.0021248000000000 ] - [ -0.0048904800000000, -0.0099372300000000, 0.0125999800000000 ] - [ 0.0004474800000000, 0.0004649200000000, -0.0016177800000000 ] - [ 0.0003742800000000, 0.0003925200000000, -0.0015255500000000 ] - [ 0.0004349300000000, 0.0003609100000000, -0.0015432300000000 ] - [ 0.0004011100000000, 0.0003575700000000, -0.0016526400000000 ] - [ 0.0003718500000000, 0.0002737100000000, 0.0037133500000000 ] - [ -0.0004229600000000, 0.0001851800000000, 0.0037133500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033281900000000 ] - [ 0.0000511100000000, -0.0004588900000000, 0.0037133500000000 ] - [ -0.0120944100000000, -0.0040754500000000, 0.0035771500000000 ] - [ 0.0095766500000000, -0.0084363400000000, 0.0035771500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026558500000000 ] - [ 0.0025177600000000, 0.0125117900000000, 0.0035771500000000 ] - [ 0.0025045700000000, 0.0125601100000000, 0.0035274900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026876500000000 ] - [ 0.0096250900000000, -0.0084490800000000, 0.0035274900000000 ] - [ -0.0121296600000000, -0.0041110300000000, 0.0035274900000000 ] - [ 0.0000486800000000, -0.0004588700000000, 0.0037200800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033345800000000 ] - [ -0.0004217300000000, 0.0001872800000000, 0.0037200800000000 ] - [ 0.0003730500000000, 0.0002715900000000, 0.0037200800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1004390600000000 ] - [ 0.0003220400000000, 0.0007801800000000, -0.0097888300000000 ] - [ -0.0008366800000000, -0.0001111900000000, -0.0097888300000000 ] - [ 0.0005146300000000, -0.0006689900000000, -0.0097888300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034800300000000 ] - [ 0.0000169600000000, -0.0000130100000000, 0.0032392000000000 ] - [ 0.0000027900000000, 0.0000211900000000, 0.0032392000000000 ] - [ -0.0000197400000000, -0.0000081800000000, 0.0032392000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0069860200000000 ] - [ 0.0002194300000000, 0.0002151400000000, 0.0023329600000000 ] - [ -0.0002960300000000, 0.0000824600000000, 0.0023329600000000 ] - [ 0.0000766000000000, -0.0002976000000000, 0.0023329600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0069661600000000 ] - [ 0.0002249400000000, 0.0002142400000000, 0.0023557600000000 ] - [ -0.0002980100000000, 0.0000876800000000, 0.0023557600000000 ] - [ 0.0000730700000000, -0.0003019200000000, 0.0023557600000000 ]