Feature request : convert to association #3
Description
My solution
RuleQ[r_] := MatchQ[r, _Rule]
AllRuleQ[l_] := AllTrue[l, RuleQ]
ListOfRuleListQ[l_] := AllTrue[l, AllRuleQ]
ClearAll[ConvertToAssociation];
ConvertToAssociation[l_] := If[ListQ[l],
If[AllRuleQ[l],
Association[
Table[li[[1]] -> ConvertToAssociation[li[[2]]], {li, l}]],
If[ListOfRuleListQ[l],
ConvertToAssociation /@ l,
l]],
l];
Test :
In[122]:= disp0 = Import["phonopy_disp.yaml", "YAML"]
Out[122]= {"phonopy" -> {"version" -> "2.4.1",
"frequency_unit_conversion_factor" -> 15.6333,
"symmetry_tolerance" -> 0.00001,
"configuration" -> {"dim" -> "3 3 3",
"create_displacements" -> ".true."}},
"physical_unit" -> {"atomic_mass" -> "AMU", "length" -> "Angstrom",
"force_constants" -> "eV/Angstrom^2"},
"supercell_matrix" -> {{3, 0, 0}, {0, 3, 0}, {0, 0, 3}},
"space_group" -> {"type" -> "P2_13", "number" -> 198,
"Hall_symbol" -> "P 2ac 2ab 3"},
"primitive_cell" -> {"lattice" -> {{4.37287, 0., 0.}, {0., 4.37287,
0.}, {0., 0., 4.37287}},
"points" -> {{"symbol" -> "Fe",
"coordinates" -> {0.862654, 0.862654, 0.862654},
"mass" -> 55.845}, {"symbol" -> "Fe",
"coordinates" -> {0.637346, 0.137346, 0.362654},
"mass" -> 55.845}, {"symbol" -> "Fe",
"coordinates" -> {0.137346, 0.362654, 0.637346},
"mass" -> 55.845}, {"symbol" -> "Fe",
"coordinates" -> {0.362654, 0.637346, 0.137346},
"mass" -> 55.845}, {"symbol" -> "Si",
"coordinates" -> {0.158979, 0.158979, 0.158979},
"mass" -> 28.0855}, {"symbol" -> "Si",
"coordinates" -> {0.341021, 0.841021, 0.658979},
"mass" -> 28.0855}, {"symbol" -> "Si",
"coordinates" -> {0.841021, 0.658979, 0.341021},
"mass" -> 28.0855}, {"symbol" -> "Si",
"coordinates" -> {0.658979, 0.341021, 0.841021},
"mass" -> 28.0855}},
"reciprocal_lattice" -> {{0.228683, 0., 0.}, {0., 0.228683,
0.}, {0., 0., 0.228683}}},
"unit_cell" -> {"lattice" -> {{4.37287, 0., 0.}, {0., 4.37287,
0.}, {0., 0., 4.37287}},
"points" -> {{"symbol" -> "Fe",
"coordinates" -> {0.862654, 0.862654, 0.862654},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.637346, 0.137346, 0.362654},
"mass" -> 55.845, "reduced_to" -> 2}, {"symbol" -> "Fe",
"coordinates" -> {0.137346, 0.362654, 0.637346},
"mass" -> 55.845, "reduced_to" -> 3}, {"symbol" -> "Fe",
"coordinates" -> {0.362654, 0.637346, 0.137346},
"mass" -> 55.845, "reduced_to" -> 4}, {"symbol" -> "Si",
"coordinates" -> {0.158979, 0.158979, 0.158979},
"mass" -> 28.0855, "reduced_to" -> 5}, {"symbol" -> "Si",
"coordinates" -> {0.341021, 0.841021, 0.658979},
"mass" -> 28.0855, "reduced_to" -> 6}, {"symbol" -> "Si",
"coordinates" -> {0.841021, 0.658979, 0.341021},
"mass" -> 28.0855, "reduced_to" -> 7}, {"symbol" -> "Si",
"coordinates" -> {0.658979, 0.341021, 0.841021},
"mass" -> 28.0855, "reduced_to" -> 8}}},
"supercell" -> {"lattice" -> {{13.1186, 0., 0.}, {0., 13.1186,
0.}, {0., 0., 13.1186}},
"points" -> {{"symbol" -> "Fe",
"coordinates" -> {0.287551, 0.287551, 0.287551},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.620885, 0.287551, 0.287551},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.954218, 0.287551, 0.287551},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.287551, 0.620885, 0.287551},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.620885, 0.620885, 0.287551},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.954218, 0.620885, 0.287551},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.287551, 0.954218, 0.287551},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.620885, 0.954218, 0.287551},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.954218, 0.954218, 0.287551},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.287551, 0.287551, 0.620885},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.620885, 0.287551, 0.620885},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.954218, 0.287551, 0.620885},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.287551, 0.620885, 0.620885},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.620885, 0.620885, 0.620885},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.954218, 0.620885, 0.620885},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.287551, 0.954218, 0.620885},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.620885, 0.954218, 0.620885},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.954218, 0.954218, 0.620885},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.287551, 0.287551, 0.954218},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.620885, 0.287551, 0.954218},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.954218, 0.287551, 0.954218},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.287551, 0.620885, 0.954218},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.620885, 0.620885, 0.954218},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.954218, 0.620885, 0.954218},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.287551, 0.954218, 0.954218},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.620885, 0.954218, 0.954218},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.954218, 0.954218, 0.954218},
"mass" -> 55.845, "reduced_to" -> 1}, {"symbol" -> "Fe",
"coordinates" -> {0.212449, 0.045782, 0.120885},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.545782, 0.045782, 0.120885},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.879115, 0.045782, 0.120885},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.212449, 0.379115, 0.120885},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.545782, 0.379115, 0.120885},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.879115, 0.379115, 0.120885},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.212449, 0.712449, 0.120885},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.545782, 0.712449, 0.120885},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.879115, 0.712449, 0.120885},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.212449, 0.045782, 0.454218},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.545782, 0.045782, 0.454218},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.879115, 0.045782, 0.454218},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.212449, 0.379115, 0.454218},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.545782, 0.379115, 0.454218},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.879115, 0.379115, 0.454218},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.212449, 0.712449, 0.454218},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.545782, 0.712449, 0.454218},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.879115, 0.712449, 0.454218},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.212449, 0.045782, 0.787551},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.545782, 0.045782, 0.787551},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.879115, 0.045782, 0.787551},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.212449, 0.379115, 0.787551},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.545782, 0.379115, 0.787551},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.879115, 0.379115, 0.787551},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.212449, 0.712449, 0.787551},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.545782, 0.712449, 0.787551},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.879115, 0.712449, 0.787551},
"mass" -> 55.845, "reduced_to" -> 28}, {"symbol" -> "Fe",
"coordinates" -> {0.045782, 0.120885, 0.212449},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.379115, 0.120885, 0.212449},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.712449, 0.120885, 0.212449},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.045782, 0.454218, 0.212449},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.379115, 0.454218, 0.212449},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.712449, 0.454218, 0.212449},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.045782, 0.787551, 0.212449},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.379115, 0.787551, 0.212449},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.712449, 0.787551, 0.212449},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.045782, 0.120885, 0.545782},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.379115, 0.120885, 0.545782},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.712449, 0.120885, 0.545782},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.045782, 0.454218, 0.545782},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.379115, 0.454218, 0.545782},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.712449, 0.454218, 0.545782},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.045782, 0.787551, 0.545782},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.379115, 0.787551, 0.545782},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.712449, 0.787551, 0.545782},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.045782, 0.120885, 0.879115},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.379115, 0.120885, 0.879115},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.712449, 0.120885, 0.879115},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.045782, 0.454218, 0.879115},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.379115, 0.454218, 0.879115},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.712449, 0.454218, 0.879115},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.045782, 0.787551, 0.879115},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.379115, 0.787551, 0.879115},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.712449, 0.787551, 0.879115},
"mass" -> 55.845, "reduced_to" -> 55}, {"symbol" -> "Fe",
"coordinates" -> {0.120885, 0.212449, 0.045782},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.454218, 0.212449, 0.045782},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.787551, 0.212449, 0.045782},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.120885, 0.545782, 0.045782},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.454218, 0.545782, 0.045782},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.787551, 0.545782, 0.045782},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.120885, 0.879115, 0.045782},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.454218, 0.879115, 0.045782},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.787551, 0.879115, 0.045782},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.120885, 0.212449, 0.379115},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.454218, 0.212449, 0.379115},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.787551, 0.212449, 0.379115},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.120885, 0.545782, 0.379115},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.454218, 0.545782, 0.379115},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.787551, 0.545782, 0.379115},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.120885, 0.879115, 0.379115},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.454218, 0.879115, 0.379115},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.787551, 0.879115, 0.379115},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.120885, 0.212449, 0.712449},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.454218, 0.212449, 0.712449},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.787551, 0.212449, 0.712449},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.120885, 0.545782, 0.712449},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.454218, 0.545782, 0.712449},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.787551, 0.545782, 0.712449},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.120885, 0.879115, 0.712449},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.454218, 0.879115, 0.712449},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Fe",
"coordinates" -> {0.787551, 0.879115, 0.712449},
"mass" -> 55.845, "reduced_to" -> 82}, {"symbol" -> "Si",
"coordinates" -> {0.052993, 0.052993, 0.052993},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.386326, 0.052993, 0.052993},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.71966, 0.052993, 0.052993},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.052993, 0.386326, 0.052993},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.386326, 0.386326, 0.052993},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.71966, 0.386326, 0.052993},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.052993, 0.71966, 0.052993},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.386326, 0.71966, 0.052993},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.71966, 0.71966, 0.052993},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.052993, 0.052993, 0.386326},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.386326, 0.052993, 0.386326},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.71966, 0.052993, 0.386326},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.052993, 0.386326, 0.386326},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.386326, 0.386326, 0.386326},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.71966, 0.386326, 0.386326},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.052993, 0.71966, 0.386326},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.386326, 0.71966, 0.386326},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.71966, 0.71966, 0.386326},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.052993, 0.052993, 0.71966},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.386326, 0.052993, 0.71966},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.71966, 0.052993, 0.71966},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.052993, 0.386326, 0.71966},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.386326, 0.386326, 0.71966},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.71966, 0.386326, 0.71966},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.052993, 0.71966, 0.71966},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.386326, 0.71966, 0.71966},
"mass" -> 28.0855, "reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.71966, 0.71966, 0.71966}, "mass" -> 28.0855,
"reduced_to" -> 109}, {"symbol" -> "Si",
"coordinates" -> {0.113674, 0.28034, 0.21966},
"mass" -> 28.0855, "reduced_to" -> 136}, {"symbol" -> "Si",
"coordinates" -> {0.447007, 0.28034, 0.21966},
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