diff --git a/src/AtomicAndPhysicalConstants.jl b/src/AtomicAndPhysicalConstants.jl index 83d50a3..faa1bee 100644 --- a/src/AtomicAndPhysicalConstants.jl +++ b/src/AtomicAndPhysicalConstants.jl @@ -8,13 +8,14 @@ using Reexport @reexport using Unitful include("units_definition.jl") -include("physical_constants.jl") -include("atomic_isotopes.jl") +include("constants.jl") +include("types.jl") +include("constructors.jl") +include("isotopes.jl") include("subatomic_species.jl") -include("species_initialize.jl") include("update_pion_mass.jl") include("update_constants.jl") -include("update_iso_masses.jl") +include("update_isos.jl") include("particle_functions.jl") include("set_units.jl") @@ -25,7 +26,7 @@ export C_LIGHT, H_PLANCK, H_BAR_PLANCK, R_E, R_P, E_CHARGE, MU_0_VAC, EPS_0_VAC, export SubatomicSpecies export AtomicSpecies export SUBATOMIC_SPECIES -export Atomic_Particles +export ATOMIC_SPECIES export setCODATA export @u_str, NewUnits diff --git a/src/atomic_isotopes.jl b/src/atomic_isotopes.jl deleted file mode 100644 index 7cd36f1..0000000 --- a/src/atomic_isotopes.jl +++ /dev/null @@ -1,290 +0,0 @@ - -""" -AtomicSpecies <: AbstractSpeciesData - -### Description: -> mutable struct to store all (possibly degenerate) information about a particular element< - -### Fields: -- `Z` -- Integer atomic number (i.e. protons in the nucleus) -- `species_name` -- String periodic table symbol for element -- `mass_in_amu` -- > Dict{Int, Float64}(isotope::Int, mass::Float64) isotope masses - > key -1 refers to the average common atomic mass, other keys refer to - > the number of nucleons present in the isotope < - -### Examples: -- `AtomicSpeciesData(3, "Li", Dict(Int64, Float64)(-1 => 6.9675, 3 => 3.0308, 4 => 4.02719, - 5 => 5.012538, 6 => 6.0151228874, 7 => 7.0160034366, 8 => 8.022486246, 9 => 9.02679019, - 10 => 10.035483, 11 => 11.04372358, 12 => 12.052517, 13 => 13.06263))` -- `AtomicSpeciesData(47, "Ag", Dict(Int64, Float64)(-1 => 107.8682, 92 => 92.95033, - 93 => 93.94373, 94 => 94.93602, 95 => 95.930744, 96 => 96.92397, 97 => 97.92156, - 98 => 98.9176458, 99 => 99.9161154, 100 => 100.912684, 101 => 101.9117047, - 102 => 102.9089631, 103 => 103.9086239, 104 => 104.9065256, 105 => 105.9066636, - 106 => 106.9050916, 107 => 107.9059503, 108 => 108.9047553, 109 => 109.9061102, - 110 => 110.9052959, 111 => 111.9070486, 112 => 112.906573, 113 => 113.908823, - 114 => 114.908767, 115 => 115.9113868, 116 => 116.911774, 117 => 117.9145955, - 118 => 118.91557, 119 => 119.9187848, 120 => 120.920125, 121 => 121.923664, - 122 => 122.925337, 123 => 123.92893, 124 => 124.93105, 125 => 125.93475, - 126 => 126.93711, 127 => 127.94106, 128 => 128.94395, 129 => 129.9507))` -""" -AtomicSpecies - -struct AtomicSpecies - Z::Int # number of protons - species_name::String # periodic table element symbol - mass_in_amu::Dict{Int,Float64} # a dict to store the masses, keyed by isotope - #= - keyvalue -1 => average mass of common isotopes, - keyvalue n ∈ {0} ∪ N is the mass number of the isotope - =# -end - -# ------------------------------------------------------- - -"""Atomic_Particles -Isotopes from NIST data 2024-04-19 -a dictionary of all the available atomic species, -with all the NIST isotopes included; -the key is the element's atomic symbol -n the periodic table, and the value is the relevant -AtomicSpecies struct, _eg_ - -Atomic_Particles["He"] = AtomicSpecies(2, "He", ...)""" Atomic_Particles - -const ATOMIC_SPECIES = Dict{String, AtomicSpecies}( -"H" => AtomicSpecies(1, "H", Dict(5 => 5.035311, 4 => 4.02643, 6 => 6.04496, 7 => 7.0527, -1 => 1.0079407540557772, 2 => 2.01410177812, 3 => 3.0160492779, 1 => 1.00782503223)), - -"He" => AtomicSpecies(2, "He", Dict(5 => 5.012057, 4 => 4.00260325413, 6 => 6.018885891, 7 => 7.0279907, -1 => 4.002601932120929, 10 => 10.05279, 9 => 9.043946, 8 => 8.03393439, 3 => 3.0160293201)), - -"Li" => AtomicSpecies(3, "Li", Dict(5 => 5.012538, 12 => 12.052517, 8 => 8.022486246, 6 => 6.0151228874, -1 => 6.94003660291572, 11 => 11.04372358, 9 => 9.02679019, 3 => 3.0308, 7 => 7.0160034366, 4 => 4.02719, 13 => 13.06263, 10 => 10.035483)), - -"Be" => AtomicSpecies(4, "Be", Dict(5 => 5.0399, 16 => 16.06167, 12 => 12.0269221, 8 => 8.005305102, 6 => 6.0197264, -1 => 9.012183065, 11 => 11.02166108, 9 => 9.012183065, 14 => 14.04289, 7 => 7.016928717, 13 => 13.036135, 15 => 15.05342, 10 => 10.013534695)), - -"B" => AtomicSpecies(5, "B", Dict(16 => 16.039842, 20 => 20.07207, 12 => 12.0143527, 8 => 8.0246073, 17 => 17.04699, 19 => 19.0631, 6 => 6.0508, -1 => 10.811028046410001, 11 => 11.00930536, 9 => 9.01332965, 14 => 14.025404, 7 => 7.029712, 13 => 13.0177802, 15 => 15.031088, 21 => 21.08129, 10 => 10.01293695, 18 => 18.05566)), - -"C" => AtomicSpecies(6, "C", Dict(16 => 16.0147013, 20 => 20.04032, 12 => 12.0, 8 => 8.037643, 17 => 17.022577, 23 => 23.0689, 19 => 19.0348, 22 => 22.05753, -1 => 12.010735896735248, 11 => 11.0114336, 9 => 9.0310372, 14 => 14.0032419884, 13 => 13.00335483507, 15 => 15.01059926, 21 => 21.049, 10 => 10.01685331, 18 => 18.026751)), - -"N" => AtomicSpecies(7, "N", Dict(16 => 16.0061019, 20 => 20.023366, 12 => 12.0186132, 24 => 24.05039, 17 => 17.008449, 23 => 23.04114, 19 => 19.017022, 22 => 22.03439, -1 => 14.006703211445798, 11 => 11.026091, 14 => 14.00307400443, 25 => 25.0601, 13 => 13.00573861, 15 => 15.00010889888, 21 => 21.02711, 10 => 10.04165, 18 => 18.014078)), - -"O" => AtomicSpecies(8, "O", Dict(16 => 15.99491461957, 20 => 20.00407535, 12 => 12.034262, 24 => 24.01986, 28 => 28.05591, 17 => 16.9991317565, 23 => 23.015696, 19 => 19.003578, 22 => 22.009966, -1 => 15.999404924318277, 14 => 14.00859636, 25 => 25.02936, 13 => 13.024815, 15 => 15.00306562, 21 => 21.008655, 27 => 27.04772, 18 => 17.99915961286, 26 => 26.03729)), - -"F" => AtomicSpecies(9, "F", Dict(16 => 16.0114657, 20 => 19.999981252, 24 => 24.008115, 28 => 28.03534, 30 => 30.05165, 17 => 17.00209524, 23 => 23.003557, 19 => 18.99840316273, 22 => 22.002999, -1 => 18.99840316273, 31 => 31.05971, 14 => 14.034315, 29 => 29.04254, 25 => 25.012199, 15 => 15.018043, 21 => 20.9999489, 27 => 27.02644, 18 => 18.00093733, 26 => 26.020038)), - -"Ne" => AtomicSpecies(10, "Ne", Dict(16 => 16.02575, 20 => 19.9924401762, 24 => 23.99361065, 28 => 28.01212, 30 => 30.02473, 17 => 17.01771396, 23 => 22.99446691, 19 => 19.00188091, 22 => 21.991385114, 32 => 32.03972, -1 => 20.18004638052026, 31 => 31.0331, 29 => 29.01975, 33 => 33.04938, 25 => 24.997789, 34 => 34.05673, 21 => 20.993846685, 27 => 27.007553, 18 => 18.0057087, 26 => 26.000515)), - -"Na" => AtomicSpecies(11, "Na", Dict(35 => 35.04062, 20 => 20.0073544, 24 => 23.99096295, 28 => 27.998939, 30 => 30.0090979, 37 => 37.05705, 23 => 22.989769282, 19 => 19.01388, 22 => 21.99443741, 32 => 32.02019, -1 => 22.989769282, 36 => 36.04929, 31 => 31.013163, 29 => 29.0028771, 33 => 33.02573, 25 => 24.989954, 34 => 34.03359, 21 => 20.99765469, 27 => 26.9940765, 18 => 18.02688, 26 => 25.9926346)), - -"Mg" => AtomicSpecies(12, "Mg", Dict(35 => 35.01679, 20 => 20.01885, 24 => 23.985041697, 28 => 27.9838767, 30 => 29.9904629, 37 => 37.03037, 23 => 22.99412421, 19 => 19.034169, 22 => 21.99957065, 32 => 31.9991102, -1 => 24.3050516198371, 36 => 36.02188, 31 => 30.996648, 39 => 39.04538, 29 => 28.988617, 33 => 33.0053271, 25 => 24.985836976, 40 => 40.05218, 34 => 34.008935, 21 => 21.011716, 27 => 26.984340624, 38 => 38.03658, 26 => 25.982592968)), - -"Al" => AtomicSpecies(13, "Al", Dict(35 => 34.999764, 24 => 23.9999489, 28 => 27.98191021, 30 => 29.98296, 37 => 37.01053, 23 => 23.00724435, 22 => 22.01954, 32 => 31.988085, 41 => 41.03638, 43 => 43.05147, -1 => 26.98153853, 36 => 36.00639, 31 => 30.983945, 39 => 39.02254, 29 => 28.9804565, 33 => 32.990909, 25 => 24.9904281, 40 => 40.03003, 34 => 33.996705, 21 => 21.02897, 27 => 26.98153853, 38 => 38.0174, 26 => 25.986891904, 42 => 42.04384)), - -"Si" => AtomicSpecies(14, "Si", Dict(35 => 34.984583, 24 => 24.011535, 28 => 27.97692653465, 30 => 29.973770136, 37 => 36.992921, 23 => 23.02544, 22 => 22.03579, 32 => 31.97415154, 41 => 41.01301, 43 => 43.0248, -1 => 28.085498705705955, 36 => 35.986695, 44 => 44.03061, 31 => 30.975363194, 45 => 45.03995, 39 => 39.002491, 29 => 28.9764946649, 33 => 32.97797696, 25 => 25.004109, 40 => 40.00583, 34 => 33.978576, 27 => 26.98670481, 38 => 37.995523, 26 => 25.99233384, 42 => 42.01778)), - -"P" => AtomicSpecies(15, "P", Dict(35 => 34.9733141, 24 => 24.03577, 28 => 27.9923266, 30 => 29.97831375, 37 => 36.979607, 32 => 31.973907643, 47 => 47.03139, 41 => 40.994654, 43 => 43.00502, -1 => 30.97376199842, 36 => 35.97826, 44 => 44.01121, 31 => 30.97376199842, 45 => 45.01645, 39 => 38.986227, 29 => 28.98180079, 33 => 32.9717257, 25 => 25.02119, 46 => 46.02446, 40 => 39.99133, 34 => 33.97364589, 27 => 26.999224, 38 => 37.984252, 26 => 26.01178, 42 => 42.00108)), - -"S" => AtomicSpecies(16, "S", Dict(35 => 34.96903231, 30 => 29.98490703, 28 => 28.00437, 37 => 36.97112551, 32 => 31.9720711744, 47 => 47.00795, 41 => 40.9795935, 43 => 42.9869076, -1 => 32.06478740612706, 36 => 35.96708071, 44 => 43.9901188, 31 => 30.97955701, 45 => 44.99572, 49 => 49.02276, 39 => 38.975134, 29 => 28.996611, 33 => 32.9714589098, 46 => 46.00004, 40 => 39.9754826, 48 => 48.0137, 34 => 33.967867004, 27 => 27.01828, 38 => 37.9711633, 26 => 26.02907, 42 => 41.9810651)), - -"Cl" => AtomicSpecies(17, "Cl", Dict(35 => 34.968852682, 30 => 30.00477, 28 => 28.02954, 37 => 36.965902602, 32 => 31.98568464, 47 => 46.98916, 41 => 40.970685, 43 => 42.97389, -1 => 35.452937582608, 36 => 35.968306809, 44 => 43.97787, 31 => 30.992414, 45 => 44.98029, 49 => 49.00123, 39 => 38.9680082, 51 => 51.01554, 29 => 29.01478, 33 => 32.97745199, 46 => 45.98517, 40 => 39.970415, 48 => 47.99564, 34 => 33.973762485, 50 => 50.00905, 38 => 37.96801044, 42 => 41.97325)), - -"Ar" => AtomicSpecies(18, "Ar", Dict(35 => 34.97525759, 52 => 51.99896, 30 => 30.02307, 37 => 36.96677633, 53 => 53.00729, 32 => 31.9976378, 47 => 46.972935, 41 => 40.96450057, 43 => 42.9656361, -1 => 39.947798563582005, 36 => 35.967545105, 44 => 43.9649238, 31 => 31.01212, 45 => 44.96803973, 49 => 48.9819, 39 => 38.964313, 51 => 50.9937, 33 => 32.98992555, 46 => 45.968083, 40 => 39.9623831237, 48 => 47.97591, 34 => 33.98027009, 50 => 49.98613, 38 => 37.96273211, 42 => 41.9630457)), - -"K" => AtomicSpecies(19, "K", Dict(56 => 56.00851, 35 => 34.98800541, 55 => 55.00076, 52 => 51.98224, 37 => 36.97337589, 53 => 52.98746, 32 => 32.02265, 47 => 46.9616616, 41 => 40.9618252579, 43 => 42.9607347, -1 => 39.098300910086, 36 => 35.98130201, 44 => 43.96158699, 45 => 44.96069149, 49 => 48.96821075, 39 => 38.9637064864, 51 => 50.975828, 33 => 33.00756, 46 => 45.96198159, 40 => 39.963998166, 48 => 47.96534119, 34 => 33.99869, 50 => 49.97238, 54 => 53.99463, 38 => 37.96908112, 42 => 41.96240231)), - -"Ca" => AtomicSpecies(20, "Ca", Dict(56 => 55.98508, 35 => 35.00514, 55 => 54.9803, 58 => 57.99794, 52 => 51.963217, 37 => 36.98589785, 53 => 52.96945, 47 => 46.9545424, 41 => 40.96227792, 43 => 42.95876644, -1 => 40.078022511017735, 36 => 35.993074, 44 => 43.95548156, 45 => 44.95618635, 49 => 48.95566274, 39 => 38.97071081, 51 => 50.960989, 46 => 45.953689, 57 => 56.99262, 40 => 39.962590863, 48 => 47.95252276, 34 => 34.01487, 50 => 49.9574992, 54 => 53.9734, 38 => 37.97631922, 42 => 41.95861783)), - -"Sc" => AtomicSpecies(21, "Sc", Dict(56 => 55.97345, 55 => 54.96782, 58 => 57.98403, 52 => 51.95688, 60 => 59.99565, 37 => 37.00374, 53 => 52.95909, 47 => 46.9524037, 41 => 40.969251105, 43 => 42.9611505, -1 => 44.95590828, 36 => 36.01648, 44 => 43.9594029, 45 => 44.95590828, 49 => 48.9500146, 39 => 38.984785, 51 => 50.953592, 61 => 61.001, 46 => 45.95516826, 57 => 56.97777, 40 => 39.9779673, 48 => 47.9522236, 59 => 58.98894, 50 => 49.952176, 54 => 53.96393, 38 => 37.99512, 42 => 41.96551653)), - -"Ti" => AtomicSpecies(22, "Ti", Dict(56 => 55.95791, 55 => 54.95527, 58 => 57.9666, 52 => 51.946893, 60 => 59.97603, 53 => 52.94973, 47 => 46.95175879, 41 => 40.983148, 43 => 42.9685225, -1 => 47.866744962721995, 44 => 43.95968995, 45 => 44.95812198, 49 => 48.94786568, 39 => 39.00236, 51 => 50.94661065, 61 => 60.98245, 46 => 45.95262772, 57 => 56.96364, 40 => 39.9905, 48 => 47.94794198, 59 => 58.97247, 50 => 49.94478689, 54 => 53.95105, 63 => 62.99375, 38 => 38.01145, 42 => 41.97304903, 62 => 61.98651)), - -"V" => AtomicSpecies(23, "V", Dict(56 => 55.95048, 55 => 54.94724, 58 => 57.95672, 52 => 51.94477301, 60 => 59.96431, 53 => 52.9443367, 47 => 46.95490491, 41 => 41.00021, 43 => 42.980766, -1 => 50.941465037425004, 44 => 43.97411, 45 => 44.9657748, 49 => 48.9485118, 51 => 50.94395704, 61 => 60.96725, 64 => 63.98264, 46 => 45.96019878, 66 => 65.99398, 57 => 56.95252, 40 => 40.01276, 48 => 47.9522522, 59 => 58.95939, 50 => 49.94715601, 65 => 64.9875, 54 => 53.946439, 63 => 62.97639, 42 => 41.99182, 62 => 61.97265)), - -"Cr" => AtomicSpecies(24, "Cr", Dict(56 => 55.9406531, 55 => 54.94083843, 58 => 57.94435, 52 => 51.94050623, 60 => 59.95008, 53 => 52.94064815, 47 => 46.9628974, 49 => 48.9513333, 43 => 42.99753, -1 => 51.9961317554337, 44 => 43.98536, 45 => 44.97905, 67 => 66.98016, 68 => 67.98403, 51 => 50.94476502, 61 => 60.95442, 64 => 63.96408, 46 => 45.968359, 66 => 65.97366, 57 => 56.943613, 48 => 47.9540291, 59 => 58.94859, 50 => 49.94604183, 65 => 64.96996, 54 => 53.93887916, 63 => 62.96165, 42 => 42.0067, 62 => 61.9561)), - -"Mn" => AtomicSpecies(25, "Mn", Dict(56 => 55.93890369, 55 => 54.93804391, 58 => 57.9400666, 52 => 51.9455639, 60 => 59.9431366, 53 => 52.94128889, 47 => 46.975775, 49 => 48.959595, 67 => 66.96424, -1 => 54.93804391, 44 => 44.00715, 45 => 44.99449, 68 => 67.96962, 69 => 68.97366, 51 => 50.94820847, 61 => 60.9444525, 64 => 63.9538494, 46 => 45.98609, 71 => 70.98368, 66 => 65.960547, 57 => 56.9382861, 48 => 47.96852, 59 => 58.9403911, 50 => 49.95423778, 65 => 64.9560198, 54 => 53.9403576, 63 => 62.9496647, 70 => 69.97937, 62 => 61.94795)), - -"Fe" => AtomicSpecies(26, "Fe", Dict(56 => 55.93493633, 55 => 54.93829199, 58 => 57.93327443, 52 => 51.9481131, 60 => 59.9340711, 72 => 71.96983, 53 => 52.9453064, 47 => 46.99185, 49 => 48.973429, 67 => 66.95054, -1 => 55.845144433865904, 45 => 45.01442, 68 => 67.95295, 69 => 68.95807, 73 => 72.97572, 74 => 73.97935, 51 => 50.956841, 61 => 60.9367462, 64 => 63.9409878, 46 => 46.00063, 71 => 70.96672, 66 => 65.94625, 57 => 56.93539284, 48 => 47.98023, 59 => 58.93487434, 50 => 49.962975, 65 => 64.9450115, 54 => 53.93960899, 63 => 62.9402727, 70 => 69.96102, 62 => 61.9367918)), - -"Co" => AtomicSpecies(27, "Co", Dict(56 => 55.9398388, 55 => 54.9419972, 58 => 57.9357521, 52 => 51.96351, 60 => 59.9338163, 72 => 71.95729, 75 => 74.96876, 53 => 52.9542041, 47 => 47.01057, 49 => 48.98891, 67 => 66.9406096, -1 => 58.93319429, 68 => 67.94426, 69 => 68.94614, 73 => 72.96039, 74 => 73.96515, 51 => 50.970647, 61 => 60.93247662, 64 => 63.935811, 71 => 70.95237, 66 => 65.939443, 76 => 75.97413, 57 => 56.93629057, 48 => 48.00093, 59 => 58.93319429, 50 => 49.98091, 65 => 64.9364621, 54 => 53.94845987, 63 => 62.9336, 70 => 69.94963, 62 => 61.934059)), - -"Ni" => AtomicSpecies(28, "Ni", Dict(78 => 77.96336, 56 => 55.94212855, 55 => 54.95133063, 79 => 78.97025, 58 => 57.93534241, 52 => 51.9748, 60 => 59.93078588, 72 => 71.9417859, 75 => 74.9525, 53 => 52.96819, 49 => 49.0077, 67 => 66.9315694, -1 => 58.69334710994765, 68 => 67.9318688, 69 => 68.9356103, 73 => 72.9462067, 74 => 73.94798, 51 => 50.98611, 61 => 60.93105557, 64 => 63.92796682, 77 => 76.96055, 71 => 70.940519, 66 => 65.9291393, 76 => 75.95533, 57 => 56.93979218, 48 => 48.01769, 59 => 58.9343462, 50 => 49.99474, 65 => 64.93008517, 54 => 53.957892, 63 => 62.92966963, 70 => 69.9364313, 62 => 61.92834537)), - -"Cu" => AtomicSpecies(29, "Cu", Dict(78 => 77.95223, 56 => 55.95895, 55 => 54.96604, 79 => 78.95502, 81 => 80.96587, 58 => 57.94453305, 52 => 51.99671, 60 => 59.9373645, 72 => 71.9358203, 75 => 74.9415226, 53 => 52.98459, 67 => 66.9277303, -1 => 63.54603994583, 68 => 67.9296109, 69 => 68.9294293, 73 => 72.9366744, 82 => 81.97244, 74 => 73.9398749, 80 => 79.96089, 64 => 63.92976434, 61 => 60.9334576, 77 => 76.94792, 71 => 70.9326768, 66 => 65.92886903, 76 => 75.945275, 57 => 56.9492125, 59 => 58.93949748, 70 => 69.9323921, 65 => 64.9277897, 54 => 53.97666, 63 => 62.92959772, 62 => 61.93259541)), - -"Zn" => AtomicSpecies(30, "Zn", Dict(78 => 77.9382892, 56 => 55.97254, 55 => 54.98398, 79 => 78.9426381, 81 => 80.9504026, 58 => 57.954591, 60 => 59.9418421, 72 => 71.9268428, 75 => 74.9328402, 83 => 82.96056, 67 => 66.92712775, -1 => 65.37778252952499, 68 => 67.92484455, 69 => 68.9265507, 73 => 72.9295826, 82 => 81.95426, 85 => 84.97226, 74 => 73.9294073, 80 => 79.9445529, 64 => 63.92914201, 61 => 60.939507, 77 => 76.9368872, 84 => 83.96521, 71 => 70.9277196, 66 => 65.92603381, 76 => 75.933115, 57 => 56.96506, 59 => 58.94931266, 70 => 69.9253192, 65 => 64.92924077, 54 => 53.99204, 63 => 62.9332115, 62 => 61.93433397)), - -"Ga" => AtomicSpecies(31, "Ga", Dict(78 => 77.9316088, 56 => 55.99536, 79 => 78.9328523, 81 => 80.9381338, 58 => 57.97478, 60 => 59.95729, 72 => 71.92636747, 75 => 74.9265002, 83 => 82.9471203, 67 => 66.9282025, -1 => 69.7230660725936, 68 => 67.9279805, 69 => 68.9255735, 73 => 72.9251747, 82 => 81.9431765, 85 => 84.95699, 74 => 73.9269457, 80 => 79.9364208, 64 => 63.9368404, 61 => 60.949399, 77 => 76.9291543, 84 => 83.95246, 71 => 70.92470258, 66 => 65.9315894, 76 => 75.9288276, 57 => 56.9832, 59 => 58.96353, 70 => 69.9260219, 65 => 64.93273459, 63 => 62.9392942, 86 => 85.96301, 62 => 61.94419025, 87 => 86.96824)), - -"Ge" => AtomicSpecies(32, "Ge", Dict(78 => 77.9228529, 79 => 78.92536, 81 => 80.9288329, 58 => 57.99172, 60 => 59.97036, 72 => 71.922075826, 75 => 74.92285837, 83 => 82.9345391, 67 => 66.9327339, -1 => 72.6275501646868, 68 => 67.9280953, 69 => 68.9279645, 73 => 72.923458956, 82 => 81.929774, 85 => 84.9429697, 74 => 73.921177761, 89 => 88.96379, 80 => 79.9253508, 64 => 63.9416899, 61 => 60.96379, 77 => 76.923549843, 84 => 83.9375751, 71 => 70.92495233, 90 => 89.96863, 66 => 65.9338621, 76 => 75.921402726, 59 => 58.98249, 70 => 69.92424875, 65 => 64.9393681, 63 => 62.949628, 86 => 85.94658, 88 => 87.95691, 62 => 61.95502, 87 => 86.95268)), - -"As" => AtomicSpecies(33, "As", Dict(78 => 77.921828, 79 => 78.9209484, 81 => 80.9221323, 60 => 59.99388, 72 => 71.9267523, 75 => 74.92159457, 83 => 82.9252069, 92 => 91.96674, 67 => 66.93925111, -1 => 74.92159457, 68 => 67.9367741, 69 => 68.932246, 73 => 72.9238291, 82 => 81.9247412, 85 => 84.9321637, 74 => 73.9239286, 89 => 88.94976, 80 => 79.9224746, 64 => 63.95743, 61 => 60.98112, 77 => 76.9206476, 84 => 83.9293033, 71 => 70.9271138, 90 => 89.95563, 66 => 65.9441488, 76 => 75.92239202, 70 => 69.930926, 65 => 64.949611, 63 => 62.9639, 86 => 85.9367015, 88 => 87.94555, 91 => 90.96039, 62 => 61.97361, 87 => 86.9402917)), - -"Se" => AtomicSpecies(34, "Se", Dict(78 => 77.91730928, 79 => 78.91849929, 81 => 80.917993, 72 => 71.9271405, 75 => 74.92252287, 83 => 82.9191186, 92 => 91.94984, 67 => 66.949994, -1 => 78.95938855701361, 68 => 67.94182524, 69 => 68.9394148, 73 => 72.9267549, 82 => 81.9166995, 85 => 84.9222608, 74 => 73.922475934, 89 => 88.9366691, 80 => 79.9165218, 64 => 63.97109, 84 => 83.9184668, 77 => 76.919914154, 94 => 93.96049, 95 => 94.9673, 71 => 70.9322094, 90 => 89.9401, 66 => 65.95559, 76 => 75.919213704, 70 => 69.9335155, 93 => 92.95629, 65 => 64.9644, 86 => 85.9243117, 88 => 87.9314175, 91 => 90.94596, 87 => 86.9286886)), - -"Br" => AtomicSpecies(35, "Br", Dict(78 => 77.9211459, 79 => 78.9183376, 81 => 80.9162897, 72 => 71.9365886, 75 => 74.9258105, 83 => 82.9151756, 92 => 91.9396316, 67 => 66.96465, -1 => 79.90352778050999, 68 => 67.95873, 69 => 68.950497, 98 => 97.96946, 73 => 72.9316715, 82 => 81.9168032, 85 => 84.9156458, 74 => 73.9299102, 89 => 88.9267046, 80 => 79.9185298, 96 => 95.95903, 84 => 83.916496, 77 => 76.9213792, 94 => 93.9489, 95 => 94.95301, 71 => 70.9393422, 90 => 89.9312928, 76 => 75.924542, 70 => 69.944792, 93 => 92.94313, 86 => 85.9188054, 97 => 96.96344, 88 => 87.9240833, 91 => 90.9343986, 87 => 86.920674)), - -"Kr" => AtomicSpecies(36, "Kr", Dict(78 => 77.92036494, 79 => 78.9200829, 81 => 80.9165912, 72 => 71.9420924, 75 => 74.9309457, 83 => 82.91412716, 92 => 91.9261731, -1 => 83.7979999953261, 69 => 68.96518, 99 => 98.95839, 98 => 97.95243, 73 => 72.9392892, 82 => 81.91348273, 85 => 84.9125273, 74 => 73.933084, 89 => 88.9178355, 80 => 79.91637808, 96 => 95.943017, 84 => 83.9114977282, 77 => 76.92467, 94 => 93.93414, 95 => 94.939711, 71 => 70.95027, 90 => 89.9195279, 76 => 75.9259103, 70 => 69.95604, 93 => 92.9311472, 86 => 85.9106106269, 97 => 96.94909, 88 => 87.9144479, 91 => 90.9238063, 87 => 86.91335476, 100 => 99.96237, 101 => 100.96873)), - -"Rb" => AtomicSpecies(37, "Rb", Dict(78 => 77.9281419, 79 => 78.9239899, 81 => 80.9189939, 72 => 71.95908, 75 => 74.9385732, 83 => 82.9151142, 92 => 91.9197284, -1 => 85.46766359561973, 99 => 98.94503, 98 => 97.9416869, 73 => 72.95053, 82 => 81.918209, 85 => 84.9117897379, 74 => 73.9442659, 89 => 88.9122783, 80 => 79.9225164, 96 => 95.9341334, 84 => 83.9143752, 77 => 76.9304016, 94 => 93.9263948, 95 => 94.92926, 71 => 70.96532, 90 => 89.9147985, 76 => 75.935073, 102 => 101.95952, 103 => 102.96392, 93 => 92.9220393, 86 => 85.91116743, 97 => 96.9371771, 88 => 87.91131559, 91 => 90.9165372, 87 => 86.909180531, 100 => 99.95003, 101 => 100.95404)), - -"Sr" => AtomicSpecies(38, "Sr", Dict(78 => 77.93218, 79 => 78.9297077, 81 => 80.9232114, 105 => 104.95855, 75 => 74.94995, 83 => 82.9175544, 92 => 91.9110382, -1 => 87.61664446962, 99 => 98.9328907, 98 => 97.9286888, 73 => 72.9657, 82 => 81.9183999, 85 => 84.912932, 74 => 73.95617, 89 => 88.9074511, 80 => 79.9245175, 106 => 105.96265, 96 => 95.9217066, 84 => 83.9134191, 77 => 76.9379455, 94 => 93.9153556, 95 => 94.9193529, 107 => 106.96897, 90 => 89.90773, 76 => 75.941763, 102 => 101.943791, 103 => 102.94909, 93 => 92.9140242, 86 => 85.9092606, 97 => 96.926374, 88 => 87.9056125, 104 => 103.95265, 91 => 90.9101954, 87 => 86.9088775, 100 => 99.93577, 101 => 100.940352)), - -"Y" => AtomicSpecies(39, "Y", Dict(78 => 77.94361, 79 => 78.93735, 81 => 80.9294556, 105 => 104.94544, 83 => 82.922485, 92 => 91.9089451, -1 => 88.9058403, 99 => 98.924148, 98 => 97.9223821, 82 => 81.9269314, 85 => 84.916433, 89 => 88.9058403, 80 => 79.9343561, 106 => 105.95056, 96 => 95.9158968, 84 => 83.9206721, 109 => 108.96436, 77 => 76.949781, 94 => 93.9115906, 95 => 94.9128161, 107 => 106.95452, 90 => 89.9071439, 108 => 107.95996, 76 => 75.95856, 102 => 101.9343277, 103 => 102.937243, 93 => 92.909578, 86 => 85.914886, 97 => 96.9182741, 88 => 87.9095016, 104 => 103.94196, 91 => 90.9072974, 87 => 86.9108761, 100 => 99.927715, 101 => 100.9301477)), - -"Zr" => AtomicSpecies(40, "Zr", Dict(78 => 77.95566, 79 => 78.94948, 81 => 80.93731, 105 => 104.934008, 110 => 109.95396, 111 => 110.95968, 83 => 82.9292421, 92 => 91.9050347, -1 => 91.22364159706, 99 => 98.916667, 98 => 97.9127289, 82 => 81.93135, 85 => 84.9214444, 89 => 88.9088814, 80 => 79.9404, 106 => 105.93676, 96 => 95.9082714, 84 => 83.9233269, 109 => 108.95041, 94 => 93.9063108, 95 => 94.9080385, 112 => 111.9637, 107 => 106.94174, 90 => 89.9046977, 108 => 107.94487, 103 => 102.927191, 102 => 101.9231409, 93 => 92.9064699, 86 => 85.9162972, 97 => 96.9109512, 88 => 87.9102213, 104 => 103.929436, 91 => 90.9056396, 87 => 86.914818, 100 => 99.9180006, 101 => 100.921448)), - -"Nb" => AtomicSpecies(41, "Nb", Dict(114 => 113.96201, 81 => 80.9496, 105 => 104.9249465, 110 => 109.94403, 111 => 110.94753, 83 => 82.93729, 92 => 91.9071881, -1 => 92.906373, 99 => 98.911613, 98 => 97.9103265, 82 => 81.94396, 85 => 84.9288458, 89 => 88.913445, 115 => 114.96634, 106 => 105.9289317, 96 => 95.9080973, 84 => 83.93449, 109 => 108.93922, 94 => 93.9072788, 95 => 94.9068324, 112 => 111.95247, 107 => 106.9315937, 90 => 89.9112584, 108 => 107.9360748, 103 => 102.9194572, 102 => 101.9180772, 93 => 92.906373, 113 => 112.95651, 86 => 85.9257828, 97 => 96.9080959, 88 => 87.918222, 104 => 103.9228925, 91 => 90.9069897, 87 => 86.9206937, 100 => 99.9143276, 101 => 100.9153103)), - -"Mo" => AtomicSpecies(42, "Mo", Dict(114 => 113.94653, 105 => 104.916969, 110 => 109.930704, 111 => 110.935654, 83 => 82.94988, 92 => 91.90680796, 117 => 116.96117, -1 => 95.959788541188, 99 => 98.90770851, 98 => 97.90540482, 85 => 84.938261, 89 => 88.9194682, 115 => 114.95196, 106 => 105.918259, 96 => 95.90467612, 84 => 83.94149, 109 => 108.928424, 94 => 93.9050849, 95 => 94.90583877, 112 => 111.93831, 107 => 106.922106, 90 => 89.9139309, 108 => 107.924033, 103 => 102.913079, 102 => 101.9102834, 93 => 92.90680958, 113 => 112.94335, 86 => 85.9311748, 97 => 96.90601812, 88 => 87.9219678, 104 => 103.9137344, 91 => 90.9117453, 87 => 86.9281962, 116 => 115.95545, 100 => 99.9074718, 101 => 100.9103414)), - -"Tc" => AtomicSpecies(43, "Tc", Dict(114 => 113.93691, 105 => 104.911655, 110 => 109.923744, 111 => 110.925901, 92 => 91.9152698, 117 => 116.94806, -1 => 0.0, 99 => 98.9062508, 98 => 97.9072124, 85 => 84.95058, 89 => 88.9276487, 115 => 114.93998, 118 => 117.95299, 106 => 105.914358, 96 => 95.907868, 109 => 108.920256, 112 => 111.9299458, 94 => 93.9096536, 95 => 94.9076536, 119 => 118.95666, 107 => 106.9154606, 90 => 89.9240739, 108 => 107.9184957, 103 => 102.909176, 102 => 101.9092097, 93 => 92.910246, 113 => 112.932569, 86 => 85.94493, 97 => 96.9063667, 88 => 87.93378, 104 => 103.911425, 91 => 90.9184254, 87 => 86.9380672, 120 => 119.96187, 116 => 115.94476, 100 => 99.9076539, 101 => 100.907309)), - -"Ru" => AtomicSpecies(44, "Ru", Dict(114 => 113.9246136, 122 => 121.95447, 105 => 104.9077476, 110 => 109.9140407, 123 => 122.95989, 111 => 110.91757, 92 => 91.9202344, 117 => 116.9361, -1 => 101.06494013916, 99 => 98.9059341, 98 => 97.9052868, 121 => 120.95164, 89 => 88.93762, 115 => 114.92882, 118 => 117.93853, 106 => 105.9073291, 96 => 95.90759025, 109 => 108.913326, 112 => 111.918809, 94 => 93.9113429, 95 => 94.910406, 119 => 118.94357, 107 => 106.909972, 90 => 89.9303444, 108 => 107.910188, 103 => 102.9063186, 102 => 101.9043441, 93 => 92.9171044, 113 => 112.922844, 124 => 123.96305, 97 => 96.9075471, 88 => 87.9416, 104 => 103.9054275, 91 => 90.9267419, 87 => 86.95069, 120 => 119.94631, 116 => 115.9312192, 100 => 99.9042143, 101 => 100.9055769)), - -"Rh" => AtomicSpecies(45, "Rh", Dict(114 => 113.918718, 122 => 121.94399, 105 => 104.9056885, 110 => 109.911079, 123 => 122.94685, 111 => 110.9116423, 92 => 91.9323677, 117 => 116.9260354, -1 => 102.905498, 99 => 98.9081282, 98 => 97.910708, 121 => 120.93942, 89 => 88.95058, 115 => 114.9203116, 118 => 117.93034, 106 => 105.9072868, 96 => 95.914453, 109 => 108.9087488, 112 => 111.914403, 94 => 93.9217305, 95 => 94.9158979, 119 => 118.932557, 125 => 124.95469, 126 => 125.95946, 107 => 106.906748, 90 => 89.94422, 108 => 107.908714, 103 => 102.905498, 102 => 101.9068374, 93 => 92.9259128, 113 => 112.9154393, 124 => 123.95151, 97 => 96.911329, 104 => 103.9066492, 91 => 90.93688, 120 => 119.93686, 116 => 115.924059, 100 => 99.908117, 101 => 100.9061606)), - -"Pd" => AtomicSpecies(46, "Pd", Dict(114 => 113.9103686, 122 => 121.930632, 105 => 104.9050796, 110 => 109.9051722, 123 => 122.93514, 111 => 110.90768968, 92 => 91.94088, 117 => 116.9179547, -1 => 106.41532750734, 99 => 98.9117748, 98 => 97.9126983, 121 => 120.9289503, 115 => 114.913659, 118 => 117.9190667, 106 => 105.9034804, 96 => 95.9182151, 109 => 108.9059504, 112 => 111.9073297, 94 => 93.9290376, 95 => 94.9248898, 119 => 118.9233402, 125 => 124.94179, 126 => 125.94416, 107 => 106.9051282, 108 => 107.9038916, 103 => 102.9060809, 102 => 101.9056022, 128 => 127.95183, 93 => 92.93651, 113 => 112.910261, 124 => 123.93714, 97 => 96.916472, 104 => 103.9040305, 91 => 90.95032, 120 => 119.9245511, 127 => 126.94907, 116 => 115.914297, 100 => 99.908505, 101 => 100.9082864)), - -"Ag" => AtomicSpecies(47, "Ag", Dict(114 => 113.908823, 122 => 121.923664, 105 => 104.9065256, 110 => 109.9061102, 123 => 122.925337, 111 => 110.9052959, 117 => 116.911774, -1 => 107.868149634557, 99 => 98.9176458, 98 => 97.92156, 121 => 120.920125, 115 => 114.908767, 118 => 117.9145955, 106 => 105.9066636, 96 => 95.930744, 109 => 108.9047553, 112 => 111.9070486, 94 => 93.94373, 95 => 94.93602, 119 => 118.91557, 125 => 124.93105, 126 => 125.93475, 107 => 106.9050916, 108 => 107.9059503, 130 => 129.9507, 103 => 102.9089631, 102 => 101.9117047, 128 => 127.94106, 93 => 92.95033, 113 => 112.906573, 124 => 123.92893, 97 => 96.92397, 129 => 128.94395, 104 => 103.9086239, 120 => 119.9187848, 127 => 126.93711, 116 => 115.9113868, 100 => 99.9161154, 101 => 100.912684)), - -"Cd" => AtomicSpecies(48, "Cd", Dict(132 => 131.94604, 114 => 113.90336509, 122 => 121.9134591, 105 => 104.9094639, 110 => 109.90300661, 123 => 122.9168925, 133 => 132.95285, 111 => 110.90418287, 117 => 116.907226, -1 => 112.411557818268, 99 => 98.9249258, 98 => 97.927389, 121 => 120.9129637, 115 => 114.90543751, 118 => 117.906922, 106 => 105.9064599, 96 => 95.94034, 109 => 108.9049867, 112 => 111.90276287, 119 => 118.909847, 95 => 94.94994, 125 => 124.9212576, 130 => 129.93394, 126 => 125.9224291, 107 => 106.9066121, 108 => 107.9041834, 103 => 102.9134165, 102 => 101.914482, 128 => 127.9278129, 113 => 112.90440813, 124 => 123.9176574, 97 => 96.9351, 129 => 128.93182, 104 => 103.9098564, 131 => 130.9406, 120 => 119.9098681, 127 => 126.926472, 116 => 115.90476315, 100 => 99.9203488, 101 => 100.9185862)), - -"In" => AtomicSpecies(49, "In", Dict(132 => 131.933001, 134 => 133.94454, 114 => 113.90491791, 122 => 121.910281, 105 => 104.914502, 110 => 109.90717, 123 => 122.910434, 133 => 132.93831, 111 => 110.9051085, 117 => 116.9045157, -1 => 114.81808662944559, 135 => 134.95005, 99 => 98.93411, 98 => 97.94214, 121 => 120.907851, 115 => 114.903878776, 118 => 117.9063566, 106 => 105.913464, 109 => 108.9071514, 112 => 111.9055377, 119 => 118.9058507, 125 => 124.913605, 130 => 129.924977, 126 => 125.916507, 107 => 106.91029, 108 => 107.9096935, 103 => 102.9198819, 102 => 101.9241071, 128 => 127.9204, 113 => 112.90406184, 124 => 123.913182, 97 => 96.94934, 129 => 128.9218053, 104 => 103.9182145, 131 => 130.9269715, 120 => 119.907967, 127 => 126.917446, 116 => 115.90525999, 100 => 99.93096, 101 => 100.92634)), - -"Sn" => AtomicSpecies(50, "Sn", Dict(132 => 131.9178267, 134 => 133.9286821, 114 => 113.9027827, 122 => 121.9034438, 105 => 104.9212684, 110 => 109.907845, 123 => 122.9057252, 133 => 132.9239134, 111 => 110.9077401, 137 => 136.94655, 136 => 135.93999, 117 => 116.90295398, -1 => 118.71011259301059, 135 => 134.9349086, 99 => 98.94853, 121 => 120.9042426, 115 => 114.903344699, 118 => 117.90160657, 106 => 105.9169574, 109 => 108.9112921, 112 => 111.90482387, 119 => 118.90331117, 125 => 124.9077864, 130 => 129.9139738, 138 => 137.95184, 126 => 125.907659, 107 => 106.9157137, 108 => 107.9118943, 103 => 102.928105, 102 => 101.93029, 128 => 127.910507, 113 => 112.9051757, 124 => 123.9052766, 129 => 128.913465, 104 => 103.9231052, 131 => 130.917045, 120 => 119.90220163, 127 => 126.91039, 116 => 115.9017428, 100 => 99.9385, 101 => 100.93526)), - -"Sb" => AtomicSpecies(51, "Sb", Dict(140 => 139.95283, 114 => 113.90929, 122 => 121.9051699, 105 => 104.931276, 110 => 109.9168543, 123 => 122.9042132, 133 => 132.9152732, 111 => 110.9132182, 137 => 136.93555, 136 => 135.9307459, 117 => 116.9048415, -1 => 121.75978367348, 135 => 134.9251851, 121 => 120.903812, 115 => 114.906598, 118 => 117.9055321, 112 => 111.9124, 106 => 105.928638, 109 => 108.9181411, 119 => 118.9039455, 125 => 124.905253, 130 => 129.911662, 138 => 137.94145, 126 => 125.907253, 107 => 106.9241506, 108 => 107.9222267, 139 => 138.94655, 103 => 102.93969, 128 => 127.909146, 113 => 112.909375, 124 => 123.905935, 129 => 128.909147, 104 => 103.93648, 131 => 130.9119888, 120 => 119.9050794, 127 => 126.9069243, 116 => 115.9067931, 132 => 131.9145077, 134 => 133.9205357)), - -"Te" => AtomicSpecies(52, "Te", Dict(140 => 139.939499, 142 => 141.95022, 114 => 113.912089, 122 => 121.9030435, 105 => 104.9433, 110 => 109.9224581, 123 => 122.9042698, 133 => 132.9109688, 141 => 140.9458, 111 => 110.9210006, 137 => 136.9255989, 136 => 135.9201006, 117 => 116.908646, -1 => 127.6031264846604, 135 => 134.9165557, 121 => 120.904944, 115 => 114.911902, 118 => 117.905854, 112 => 111.9167279, 106 => 105.9375, 109 => 108.9273045, 119 => 118.9064071, 125 => 124.9044299, 130 => 129.906222748, 138 => 137.9294722, 126 => 125.9033109, 107 => 106.935012, 108 => 107.9293805, 139 => 138.9353672, 143 => 142.95676, 128 => 127.90446128, 113 => 112.915891, 124 => 123.9028171, 129 => 128.90659646, 131 => 130.908522213, 120 => 119.9040593, 127 => 126.9052257, 116 => 115.90846, 132 => 131.9085467, 134 => 133.911394)), - -"I" => AtomicSpecies(53, "I", Dict(140 => 139.93173, 142 => 141.9412, 114 => 113.92185, 122 => 121.9075888, 110 => 109.935089, 123 => 122.9055885, 133 => 132.907797, 144 => 143.95139, 141 => 140.93569, 111 => 110.9302692, 137 => 136.9180282, 136 => 135.914604, 117 => 116.913648, -1 => 126.9044719, 135 => 134.9100488, 145 => 144.95605, 121 => 120.9074051, 115 => 114.918048, 118 => 117.913074, 112 => 111.928005, 109 => 108.9380853, 119 => 118.910074, 125 => 124.9046294, 130 => 129.9066702, 138 => 137.9227264, 126 => 125.9056233, 107 => 106.94678, 108 => 107.94348, 139 => 138.926506, 143 => 142.94565, 128 => 127.9058086, 113 => 112.9236501, 124 => 123.906209, 129 => 128.9049837, 131 => 130.9061263, 120 => 119.910087, 127 => 126.9044719, 116 => 115.91681, 132 => 131.9079935, 134 => 133.9097588)), - -"Xe" => AtomicSpecies(54, "Xe", Dict(140 => 139.9216458, 142 => 141.9299731, 114 => 113.92798, 122 => 121.908368, 110 => 109.94426, 123 => 122.908482, 133 => 132.9059108, 144 => 143.9389451, 141 => 140.9267872, 111 => 110.941607, 137 => 136.91155778, 148 => 147.95813, 136 => 135.907214484, 117 => 116.920359, -1 => 131.29276144779053, 135 => 134.9072278, 145 => 144.94472, 121 => 120.911453, 146 => 145.948518, 118 => 117.916179, 115 => 114.926294, 112 => 111.935559, 109 => 108.95043, 119 => 118.915411, 125 => 124.9063944, 130 => 129.903509349, 138 => 137.9141463, 126 => 125.9042983, 139 => 138.9187922, 143 => 142.9353696, 128 => 127.903531, 113 => 112.9332217, 124 => 123.905892, 129 => 128.9047808611, 147 => 146.95426, 131 => 130.90508406, 120 => 119.911784, 127 => 126.9051829, 116 => 115.921581, 132 => 131.9041550856, 134 => 133.90539466)), - -"Cs" => AtomicSpecies(55, "Cs", Dict(140 => 139.9172831, 142 => 141.924296, 114 => 113.941296, 122 => 121.916108, 123 => 122.912996, 133 => 132.905451961, 144 => 143.932076, 150 => 149.95833, 141 => 140.9200455, 137 => 136.90708923, 148 => 147.94923, 136 => 135.9073114, 117 => 116.928617, -1 => 132.905451961, 135 => 134.905977, 145 => 144.935527, 121 => 120.917227, 146 => 145.940344, 115 => 114.93591, 119 => 118.922377, 112 => 111.950309, 118 => 117.92656, 125 => 124.909728, 130 => 129.9067093, 138 => 137.9110171, 126 => 125.909446, 149 => 148.95302, 151 => 150.96258, 139 => 138.9133638, 143 => 142.927349, 128 => 127.9077487, 113 => 112.9444291, 124 => 123.9122578, 129 => 128.9060657, 147 => 146.944156, 131 => 130.9054649, 120 => 119.920677, 127 => 126.9074174, 116 => 115.93337, 132 => 131.9064339, 134 => 133.906718503)), - -"Ba" => AtomicSpecies(56, "Ba", Dict(140 => 139.9106057, 142 => 141.9164324, 114 => 113.95066, 122 => 121.919904, 123 => 122.918781, 133 => 132.9060074, 144 => 143.9229549, 150 => 149.94605, 141 => 140.9144033, 137 => 136.90582714, 148 => 147.938171, 136 => 135.90457573, 117 => 116.93814, -1 => 137.3268916286322, 135 => 134.90568838, 145 => 144.9275184, 121 => 120.92405, 146 => 145.930284, 115 => 114.94737, 118 => 117.93306, 119 => 118.93066, 125 => 124.914472, 130 => 129.9063207, 138 => 137.905247, 153 => 152.96036, 126 => 125.91125, 149 => 148.94308, 151 => 150.95127, 139 => 138.9088411, 143 => 142.9206253, 128 => 127.908342, 152 => 151.95481, 124 => 123.915094, 129 => 128.908681, 147 => 146.935304, 131 => 130.906941, 120 => 119.92605, 127 => 126.911091, 116 => 115.94128, 132 => 131.9050611, 134 => 133.90450818)), - -"La" => AtomicSpecies(57, "La", Dict(140 => 139.9094806, 142 => 141.9140909, 123 => 122.9263, 122 => 121.93071, 144 => 143.919646, 133 => 132.908218, 150 => 149.93947, 141 => 140.910966, 137 => 136.9064504, 148 => 147.932679, 154 => 153.95517, 136 => 135.907635, 117 => 116.94999, -1 => 138.90546887371266, 135 => 134.906984, 145 => 144.921808, 121 => 120.93315, 146 => 145.925875, 118 => 117.94673, 119 => 118.94099, 125 => 124.920816, 130 => 129.912369, 138 => 137.9071149, 153 => 152.95036, 126 => 125.919513, 149 => 148.93535, 151 => 150.94232, 155 => 154.95901, 139 => 138.9063563, 143 => 142.9160795, 128 => 127.915592, 152 => 151.94682, 124 => 123.924574, 129 => 128.912694, 147 => 146.928418, 131 => 130.91007, 120 => 119.93807, 127 => 126.916375, 116 => 115.9563, 132 => 131.910119, 134 => 133.908514)), - -"Ce" => AtomicSpecies(58, "Ce", Dict(142 => 141.9092504, 144 => 143.9136529, 123 => 122.93528, 122 => 121.93787, 150 => 149.930384, 133 => 132.91152, 157 => 156.95705, 141 => 140.9082807, 137 => 136.90776236, 148 => 147.924424, 154 => 153.9438, 136 => 135.90712921, -1 => 140.1157307378545, 135 => 134.909161, 145 => 144.917265, 121 => 120.94335, 146 => 145.918802, 130 => 129.914736, 119 => 118.95271, 125 => 124.92844, 138 => 137.905991, 153 => 152.94093, 126 => 125.923971, 149 => 148.928427, 151 => 150.934272, 155 => 154.94855, 139 => 138.9066551, 143 => 142.9123921, 128 => 127.918911, 156 => 155.95183, 152 => 151.9366, 124 => 123.93031, 129 => 128.918102, 147 => 146.9226899, 131 => 130.914429, 120 => 119.94654, 127 => 126.922727, 132 => 131.911464, 134 => 133.908928, 140 => 139.9054431)), - -"Pr" => AtomicSpecies(59, "Pr", Dict(142 => 141.9100496, 150 => 149.9266765, 123 => 122.94596, 122 => 121.95175, 157 => 156.94789, 133 => 132.916331, 158 => 157.95241, 141 => 140.9076576, 137 => 136.9106792, 148 => 147.92213, 154 => 153.93753, 136 => 135.912677, -1 => 140.9076576, 135 => 134.913112, 145 => 144.9145182, 121 => 120.95532, 146 => 145.91768, 130 => 129.92359, 125 => 124.9377, 138 => 137.910754, 153 => 152.933904, 126 => 125.93524, 149 => 148.923736, 151 => 150.928309, 155 => 154.940509, 139 => 138.9089408, 143 => 142.9108228, 128 => 127.928791, 156 => 155.94464, 159 => 158.95589, 152 => 151.931553, 124 => 123.94294, 129 => 128.925095, 147 => 146.919008, 131 => 130.920235, 144 => 143.9133109, 127 => 126.93071, 132 => 131.919255, 134 => 133.915697, 140 => 139.9090803)), - -"Nd" => AtomicSpecies(60, "Nd", Dict(142 => 141.907729, 150 => 149.9209022, 157 => 156.939386, 158 => 157.94197, 133 => 132.922348, 141 => 140.9096147, 137 => 136.914562, 148 => 147.9168993, 154 => 153.92948, 160 => 159.9494, 136 => 135.914976, -1 => 144.241596031827, 135 => 134.918181, 145 => 144.9125793, 146 => 145.9131226, 130 => 129.928506, 125 => 124.9489, 138 => 137.91195, 153 => 152.927718, 161 => 160.95428, 126 => 125.94311, 149 => 148.9201548, 151 => 150.9238403, 155 => 154.9331357, 139 => 138.911954, 143 => 142.90982, 128 => 127.93525, 156 => 155.93508, 159 => 158.94653, 152 => 151.924692, 124 => 123.9522, 129 => 128.9331, 147 => 146.9161061, 131 => 130.927248, 144 => 143.910093, 132 => 131.923321, 127 => 126.94038, 134 => 133.91879, 140 => 139.90955)), - -"Pm" => AtomicSpecies(61, "Pm", Dict(142 => 141.91289, 150 => 149.920991, 157 => 156.9331214, 158 => 157.936565, 133 => 132.929782, 141 => 140.913555, 137 => 136.92048, 148 => 147.9174819, 154 => 153.926472, 160 => 159.9431, 136 => 135.923585, -1 => 0.0, 135 => 134.924823, 145 => 144.9127559, 146 => 145.9147024, 130 => 129.94053, 138 => 137.919548, 153 => 152.9241567, 162 => 161.95022, 161 => 160.94607, 126 => 125.95792, 149 => 148.9183423, 151 => 150.9212175, 155 => 154.928137, 139 => 138.9168, 143 => 142.9109383, 128 => 127.9487, 156 => 155.9311175, 159 => 158.939287, 152 => 151.923506, 129 => 128.94323, 163 => 162.95357, 147 => 146.915145, 131 => 130.93567, 144 => 143.9125964, 127 => 126.95192, 132 => 131.93384, 134 => 133.928353, 140 => 139.91604)), - -"Sm" => AtomicSpecies(62, "Sm", Dict(150 => 149.9172829, 157 => 156.9284187, 158 => 157.929951, 165 => 164.95297, 133 => 132.93856, 141 => 140.9184816, 137 => 136.926971, 148 => 147.9148292, 154 => 153.9222169, 160 => 159.9353353, 136 => 135.928276, -1 => 150.36635571193, 135 => 134.93252, 145 => 144.9134173, 146 => 145.913047, 164 => 163.94836, 130 => 129.949, 138 => 137.923244, 153 => 152.9221047, 162 => 161.94146, 161 => 160.9391602, 149 => 148.9171921, 151 => 150.9199398, 155 => 154.9246477, 139 => 138.922297, 143 => 142.9146353, 128 => 127.95842, 156 => 155.925536, 159 => 158.9332172, 152 => 151.9197397, 129 => 128.95476, 163 => 162.94555, 147 => 146.9149044, 131 => 130.94618, 144 => 143.9120065, 132 => 131.94087, 140 => 139.918995, 134 => 133.93411, 142 => 141.9152044)), - -"Eu" => AtomicSpecies(63, "Eu", Dict(150 => 149.9197077, 157 => 156.9254334, 158 => 157.927799, 165 => 164.94559, 167 => 166.95289, 133 => 132.94929, 141 => 140.924932, 137 => 136.93546, 148 => 147.918089, 154 => 153.922987, 160 => 159.931851, 136 => 135.93962, -1 => 151.96437812637998, 135 => 134.94187, 145 => 144.9162726, 146 => 145.917211, 166 => 165.94962, 164 => 163.94274, 130 => 129.96369, 138 => 137.933709, 153 => 152.921238, 162 => 161.936989, 161 => 160.933664, 149 => 148.9179378, 151 => 150.9198578, 155 => 154.9229011, 139 => 138.929792, 143 => 142.920299, 156 => 155.9247605, 159 => 158.9291001, 152 => 151.9217522, 163 => 162.939196, 147 => 146.9167527, 131 => 130.95784, 144 => 143.91882, 132 => 131.95467, 140 => 139.928088, 134 => 133.9464, 142 => 141.923442)), - -"Gd" => AtomicSpecies(64, "Gd", Dict(157 => 156.9239686, 158 => 157.9241123, 167 => 166.94545, 169 => 168.9526, 133 => 132.96133, 141 => 140.932126, 137 => 136.94502, 148 => 147.9181215, 154 => 153.9208741, 160 => 159.9270624, 136 => 135.9473, -1 => 157.25213064687998, 135 => 134.95245, 145 => 144.921713, 146 => 145.9183188, 166 => 165.94146, 164 => 163.93583, 153 => 152.921758, 138 => 137.94025, 162 => 161.930993, 161 => 160.9296775, 149 => 148.9193481, 151 => 150.920356, 155 => 154.9226305, 139 => 138.93813, 143 => 142.92675, 156 => 155.9221312, 159 => 158.926397, 152 => 151.9197995, 168 => 167.94808, 163 => 162.9341769, 147 => 146.9191014, 165 => 164.93936, 144 => 143.922963, 142 => 141.928116, 140 => 139.933674, 134 => 133.95566, 150 => 149.9186644)), - -"Tb" => AtomicSpecies(65, "Tb", Dict(158 => 157.9254209, 167 => 166.93996, 169 => 168.94597, 141 => 140.94145, 137 => 136.95602, 148 => 147.924282, 154 => 153.924685, 160 => 159.9271756, 136 => 135.96129, 171 => 170.95273, -1 => 158.9253547, 135 => 134.96476, 145 => 144.92882, 146 => 145.927253, 166 => 165.93786, 164 => 163.93336, 153 => 152.9234424, 138 => 137.95312, 162 => 161.929495, 161 => 160.9275778, 149 => 148.9232535, 151 => 150.9231096, 155 => 154.923511, 139 => 138.94833, 143 => 142.935137, 156 => 155.9247552, 159 => 158.9253547, 152 => 151.924083, 170 => 169.94984, 168 => 167.9434, 163 => 162.9306547, 147 => 146.9240548, 165 => 164.93498, 144 => 143.933045, 142 => 141.93928, 140 => 139.94581, 157 => 156.924033, 150 => 149.9236649)), - -"Dy" => AtomicSpecies(66, "Dy", Dict(158 => 157.9244159, 167 => 166.935661, 169 => 168.94031, 173 => 172.95283, 141 => 140.95128, 148 => 147.927157, 160 => 159.9252046, 154 => 153.9244293, 171 => 170.94612, -1 => 162.499472819424, 145 => 144.937474, 146 => 145.9328445, 166 => 165.9328139, 164 => 163.9291819, 153 => 152.9257724, 138 => 137.9625, 162 => 161.9268056, 161 => 160.9269405, 149 => 148.927322, 151 => 150.9261916, 155 => 154.925759, 139 => 138.95959, 172 => 171.94846, 143 => 142.943994, 156 => 155.9242847, 159 => 158.925747, 152 => 151.9247253, 170 => 169.94239, 168 => 167.93713, 163 => 162.9287383, 147 => 146.9310827, 165 => 164.9317105, 144 => 143.9392695, 142 => 141.94619, 140 => 139.95402, 157 => 156.9254707, 150 => 149.9255933)), - -"Ho" => AtomicSpecies(67, "Ho", Dict(158 => 157.928946, 167 => 166.9331385, 169 => 168.936878, 173 => 172.94702, 141 => 140.96311, 148 => 147.937744, 160 => 159.928737, 154 => 153.9306068, 175 => 174.95362, 171 => 170.94147, -1 => 164.9303288, 145 => 144.9472674, 146 => 145.9449935, 166 => 165.9322909, 164 => 163.9302403, 153 => 152.9302064, 162 => 161.9291023, 161 => 160.9278615, 149 => 148.933803, 151 => 150.9316983, 155 => 154.929104, 172 => 171.94473, 143 => 142.95486, 156 => 155.929706, 159 => 158.9277197, 152 => 151.931724, 170 => 169.939625, 168 => 167.935522, 174 => 173.95095, 163 => 162.928741, 147 => 146.9401423, 165 => 164.9303288, 144 => 143.9521097, 142 => 141.96001, 140 => 139.96859, 157 => 156.928254, 150 => 149.933498)), - -"Er" => AtomicSpecies(68, "Er", Dict(158 => 157.929893, 169 => 168.9345968, 176 => 175.94994, 177 => 176.95399, 173 => 172.9424, 148 => 147.944735, 160 => 159.929077, 154 => 153.9327908, 175 => 174.94777, 171 => 170.9380357, -1 => 167.259082649669, 145 => 144.95805, 146 => 145.9524184, 166 => 165.9302995, 164 => 163.9292088, 153 => 152.93508, 162 => 161.9287884, 161 => 160.9300046, 149 => 148.942306, 151 => 150.937449, 155 => 154.9332159, 172 => 171.9393619, 143 => 142.96662, 156 => 155.931067, 159 => 158.9306918, 152 => 151.935057, 170 => 169.9354702, 168 => 167.9323767, 174 => 173.94423, 163 => 162.9300408, 147 => 146.949964, 165 => 164.9307345, 144 => 143.9607, 142 => 141.9701, 167 => 166.9320546, 157 => 156.931949, 150 => 149.937916)), - -"Tm" => AtomicSpecies(69, "Tm", Dict(158 => 157.93698, 169 => 168.9342179, 176 => 175.947, 177 => 176.94904, 179 => 178.95534, 173 => 172.9396084, 148 => 147.958384, 160 => 159.935263, 154 => 153.94157, 175 => 174.943841, 171 => 170.9364339, -1 => 168.9342179, 145 => 144.97039, 146 => 145.96684, 166 => 165.933561, 164 => 163.933544, 153 => 152.94204, 178 => 177.95264, 162 => 161.934002, 161 => 160.933549, 149 => 148.95289, 151 => 150.945488, 155 => 154.93921, 172 => 171.9384055, 156 => 155.938992, 159 => 158.934975, 152 => 151.944422, 170 => 169.935806, 168 => 167.9341774, 174 => 173.942173, 163 => 162.9326592, 147 => 146.9613799, 165 => 164.9324431, 144 => 143.97628, 167 => 166.9328562, 157 => 156.936944, 150 => 149.95009)), - -"Yb" => AtomicSpecies(70, "Yb", Dict(158 => 157.9398705, 169 => 168.9351825, 176 => 175.9425764, 177 => 176.9452656, 179 => 178.95004, 180 => 179.95212, 173 => 172.9382151, 148 => 147.96758, 160 => 159.937557, 154 => 153.946396, 175 => 174.9412808, 171 => 170.9363302, -1 => 173.05415016631702, 166 => 165.9338747, 164 => 163.934495, 153 => 152.94932, 178 => 177.946651, 162 => 161.935774, 161 => 160.937907, 149 => 148.96436, 151 => 150.9554, 155 => 154.945783, 172 => 171.9363859, 181 => 180.95589, 156 => 155.942825, 159 => 158.940055, 152 => 151.95027, 170 => 169.9347664, 168 => 167.9338896, 174 => 173.9388664, 163 => 162.93634, 167 => 166.934953, 165 => 164.93527, 157 => 156.942645, 150 => 149.95852)), - -"Lu" => AtomicSpecies(71, "Lu", Dict(150 => 149.97355, 169 => 168.9376441, 176 => 175.9426897, 177 => 176.9437615, 179 => 178.9473309, 180 => 179.949888, 173 => 172.938934, 184 => 183.96091, 160 => 159.946033, 154 => 153.95736, 175 => 174.9407752, 171 => 170.937917, -1 => 174.96681495785498, 166 => 165.939859, 182 => 181.95504, 164 => 163.941339, 153 => 152.95875, 178 => 177.945958, 162 => 161.943283, 185 => 184.96362, 161 => 160.943572, 151 => 150.96768, 155 => 154.954321, 172 => 171.9390891, 181 => 180.95191, 156 => 155.953033, 159 => 158.946636, 152 => 151.96412, 170 => 169.938478, 168 => 167.938736, 174 => 173.9403409, 163 => 162.941179, 167 => 166.93827, 165 => 164.939407, 183 => 182.957363, 158 => 157.949316, 157 => 156.950127)), - -"Hf" => AtomicSpecies(72, "Hf", Dict(169 => 168.941259, 176 => 175.9414076, 177 => 176.9432277, 179 => 178.9458232, 180 => 179.946557, 173 => 172.940513, 184 => 183.955446, 160 => 159.950691, 187 => 186.96477, 154 => 153.96486, 188 => 187.96685, 175 => 174.9415092, 171 => 170.940492, -1 => 178.4849787234, 166 => 165.94218, 182 => 181.9505612, 164 => 163.944371, 153 => 152.97069, 178 => 177.9437058, 186 => 185.960897, 162 => 161.9472148, 185 => 184.958862, 189 => 188.97084, 161 => 160.950278, 172 => 171.93945, 155 => 154.96311, 181 => 180.9491083, 156 => 155.95935, 159 => 158.953996, 170 => 169.939609, 168 => 167.940568, 174 => 173.9400461, 163 => 162.947113, 167 => 166.9426, 165 => 164.944567, 183 => 182.95353, 157 => 156.95824, 158 => 157.954801)), - -"Ta" => AtomicSpecies(73, "Ta", Dict(169 => 168.946011, 176 => 175.944857, 192 => 191.97514, 177 => 176.9444795, 179 => 178.9459366, 180 => 179.9474648, 173 => 172.94375, 184 => 183.954008, 160 => 159.961488, 187 => 186.960386, 188 => 187.963916, 175 => 174.943737, 171 => 170.944476, -1 => 180.9478756362269, 190 => 189.96939, 166 => 165.950512, 182 => 181.9501519, 164 => 163.953534, 189 => 188.96583, 178 => 177.945678, 186 => 185.958551, 162 => 161.957294, 185 => 184.955559, 161 => 160.958452, 172 => 171.944895, 155 => 154.97424, 181 => 180.9479958, 156 => 155.97203, 159 => 158.963023, 170 => 169.946175, 168 => 167.948047, 174 => 173.944454, 191 => 190.97156, 163 => 162.954337, 167 => 166.948093, 165 => 164.950781, 183 => 182.9513726, 157 => 156.96818, 158 => 157.96654)), - -"W" => AtomicSpecies(74, "W", Dict(169 => 168.951779, 176 => 175.945634, 192 => 191.96817, 177 => 176.946643, 179 => 178.947077, 180 => 179.9467108, 173 => 172.947689, 184 => 183.95093092, 160 => 159.96846, 187 => 186.9571588, 188 => 187.9584862, 175 => 174.946717, 171 => 170.949451, -1 => 183.841777550513, 190 => 189.963091, 166 => 165.955031, 182 => 181.94820394, 164 => 163.958961, 189 => 188.961763, 178 => 177.945883, 186 => 185.9543628, 162 => 161.963499, 185 => 184.95341897, 161 => 160.9672, 172 => 171.947292, 181 => 180.9481978, 159 => 158.97264, 170 => 169.949232, 168 => 167.951806, 174 => 173.946079, 191 => 190.966531, 163 => 162.962524, 193 => 192.97178, 167 => 166.954805, 165 => 164.958281, 194 => 193.97367, 183 => 182.95022275, 157 => 156.97884, 158 => 157.97456)), - -"Re" => AtomicSpecies(75, "Re", Dict(169 => 168.958766, 176 => 175.951623, 195 => 194.97254, 177 => 176.950328, 179 => 178.949989, 180 => 179.950792, 173 => 172.953243, 184 => 183.9525228, 160 => 159.98182, 187 => 186.9557501, 188 => 187.9581115, 175 => 174.951381, 171 => 170.955716, -1 => 186.20670454560002, 190 => 189.961744, 197 => 196.97799, 166 => 165.965761, 182 => 181.95121, 164 => 163.970453, 189 => 188.959226, 178 => 177.950989, 186 => 185.9549856, 162 => 161.97584, 185 => 184.9529545, 196 => 195.9758, 198 => 197.9816, 161 => 160.97757, 172 => 171.95542, 181 => 180.950058, 159 => 158.98418, 170 => 169.95822, 168 => 167.961573, 174 => 173.953115, 191 => 190.963122, 163 => 162.97208, 193 => 192.967541, 167 => 166.962595, 165 => 164.967103, 194 => 193.97076, 183 => 182.9508196, 192 => 191.966088)), - -"Os" => AtomicSpecies(76, "Os", Dict(197 => 196.97283, 182 => 181.95211, 164 => 163.97802, 196 => 195.969641, 186 => 185.953835, 185 => 184.9540417, 168 => 167.967808, 191 => 190.9609264, 183 => 182.953125, 176 => 175.954806, 177 => 176.954966, 179 => 178.953817, 199 => 198.97801, 173 => 172.959808, 188 => 187.9558352, 171 => 170.963174, 162 => 161.98443, 172 => 171.960017, 194 => 193.9651772, 167 => 166.971549, 202 => 201.98595, 169 => 168.967018, 200 => 199.97984, 195 => 194.968318, 180 => 179.952375, 187 => 186.9557474, -1 => 190.22485962823998, 189 => 188.9581442, 161 => 160.98903, 170 => 169.963578, 193 => 192.9641479, 163 => 162.98241, 192 => 191.961477, 184 => 183.9524885, 175 => 174.956945, 190 => 189.9584437, 201 => 200.98364, 166 => 165.972692, 198 => 197.97441, 178 => 177.953254, 181 => 180.953247, 174 => 173.957064, 165 => 164.9766)), - -"Ir" => AtomicSpecies(77, "Ir", Dict(169 => 168.976298, 176 => 175.96365, 200 => 199.9768, 195 => 194.9659747, 177 => 176.961301, 179 => 178.95912, 199 => 198.973805, 180 => 179.959229, 173 => 172.967506, 184 => 183.957476, 187 => 186.957542, 188 => 187.958828, 175 => 174.96415, 171 => 170.97164, -1 => 192.2160516521, 190 => 189.9605412, 197 => 196.969655, 201 => 200.97864, 166 => 165.98566, 182 => 181.958076, 164 => 163.99191, 189 => 188.958715, 178 => 177.961082, 186 => 185.957944, 185 => 184.956698, 196 => 195.968397, 198 => 197.97228, 204 => 203.9896, 203 => 202.98423, 172 => 171.970607, 181 => 180.957625, 170 => 169.974922, 168 => 167.979907, 174 => 173.966861, 191 => 190.9605893, 193 => 192.9629216, 194 => 193.9650735, 167 => 166.981666, 165 => 164.9875, 183 => 182.95684, 192 => 191.9626002, 202 => 201.98199)), - -"Pt" => AtomicSpecies(78, "Pt", Dict(169 => 168.98657, 176 => 175.968938, 200 => 199.971443, 195 => 194.9647917, 177 => 176.96847, 179 => 178.965359, 199 => 198.9705952, 180 => 179.963032, 173 => 172.976443, 184 => 183.959915, 187 => 186.960617, 188 => 187.9593889, 175 => 174.97241, 171 => 170.981245, -1 => 195.084456864931, 190 => 189.9599297, 197 => 196.96734069, 201 => 200.974513, 206 => 205.98966, 166 => 165.99486, 182 => 181.961172, 189 => 188.960831, 196 => 195.96495209, 178 => 177.96565, 186 => 185.959351, 185 => 184.960614, 198 => 197.9678949, 204 => 203.98076, 203 => 202.97893, 172 => 171.977351, 181 => 180.963098, 170 => 169.982496, 168 => 167.98813, 174 => 173.97282, 191 => 190.9616729, 193 => 192.9629824, 194 => 193.9626809, 167 => 166.99269, 205 => 204.98608, 183 => 182.961597, 192 => 191.9610387, 202 => 201.975639)), - -"Au" => AtomicSpecies(79, "Au", Dict(197 => 196.96656879, 182 => 181.969618, 196 => 195.9665699, 186 => 185.965953, 185 => 184.96579, 210 => 210.0025, 191 => 190.963702, 207 => 206.9884, 205 => 204.97985, 183 => 182.967591, 176 => 175.98025, 177 => 176.97687, 179 => 178.973174, 199 => 198.96876528, 173 => 172.986241, 188 => 187.965349, 171 => 170.991876, 204 => 203.97783, 203 => 202.9751544, 172 => 171.989942, 208 => 207.99345, 194 => 193.9654178, 202 => 201.973856, 169 => 168.99808, 200 => 199.970756, 195 => 194.9650352, 180 => 179.972523, 187 => 186.964543, -1 => 196.96656879, 189 => 188.963948, 170 => 169.99597, 193 => 192.9641373, 209 => 208.99735, 192 => 191.964814, 184 => 183.967452, 175 => 174.981304, 190 => 189.964698, 201 => 200.9716575, 206 => 205.98474, 198 => 197.96824242, 178 => 177.976032, 181 => 180.970079, 174 => 173.984717)), - -"Hg" => AtomicSpecies(80, "Hg", Dict(197 => 196.9672128, 215 => 215.0174, 182 => 181.974689, 196 => 195.9658326, 186 => 185.969362, 185 => 184.971899, 210 => 209.99424, 191 => 190.967157, 207 => 206.9823, 205 => 204.9760734, 183 => 182.9744448, 176 => 175.987361, 177 => 176.986277, 179 => 178.981831, 199 => 198.96828064, 173 => 172.99709, 188 => 187.967567, 171 => 171.00353, 204 => 203.97349398, 216 => 216.02132, 203 => 202.9728728, 172 => 171.99881, 208 => 207.985759, 194 => 193.9654491, 211 => 210.99933, 202 => 201.9706434, 200 => 199.96832659, 195 => 194.966721, 180 => 179.97826, 187 => 186.969814, 213 => 213.00823, -1 => 200.59916703455602, 189 => 188.968195, 212 => 212.00296, 193 => 192.966653, 209 => 208.99072, 192 => 191.965635, 184 => 183.971714, 175 => 174.991441, 190 => 189.966323, 201 => 200.97030284, 206 => 205.977514, 198 => 197.9667686, 214 => 214.012, 178 => 177.982484, 181 => 180.977819, 174 => 173.992865)), - -"Tl" => AtomicSpecies(81, "Tl", Dict(197 => 196.969576, 215 => 215.01064, 182 => 181.985713, 196 => 195.970481, 186 => 185.978651, 185 => 184.978789, 210 => 209.990074, 191 => 190.9717842, 207 => 206.9774197, 205 => 204.9744278, 183 => 182.982193, 218 => 218.02479, 176 => 176.000624, 177 => 176.996431, 179 => 178.991111, 199 => 198.969877, 188 => 187.976021, 204 => 203.9738639, 216 => 216.0158, 203 => 202.9723446, 208 => 207.982019, 194 => 193.971081, 211 => 210.993475, 202 => 201.972102, 200 => 199.9709633, 195 => 194.969774, 180 => 179.990057, 187 => 186.9759063, 213 => 213.001915, -1 => 204.38341283936, 217 => 217.01966, 189 => 188.973588, 212 => 211.99834, 193 => 192.970502, 209 => 208.9853594, 192 => 191.972225, 184 => 183.981886, 190 => 189.973828, 201 => 200.970822, 206 => 205.9761106, 198 => 197.970483, 214 => 214.00694, 178 => 177.99485, 181 => 180.98626)), - -"Pb" => AtomicSpecies(82, "Pb", Dict(220 => 220.02541, 197 => 196.9734312, 215 => 215.00474, 219 => 219.02177, 182 => 181.992672, 196 => 195.972774, 186 => 185.984238, 185 => 184.98761, 210 => 209.9841889, 191 => 190.978276, 207 => 206.9758973, 205 => 204.9744822, 183 => 182.991872, 218 => 218.01659, 179 => 179.002201, 199 => 198.972913, 188 => 187.980875, 204 => 203.973044, 216 => 216.00803, 203 => 202.9733911, 208 => 207.9766525, 194 => 193.974012, 211 => 210.9887371, 202 => 201.972152, 200 => 199.971819, 195 => 194.974543, 180 => 179.997928, 187 => 186.9839109, 213 => 212.9965629, -1 => 207.216908063, 217 => 217.01314, 189 => 188.980807, 212 => 211.9918977, 193 => 192.976173, 209 => 208.9810905, 192 => 191.975775, 184 => 183.988136, 190 => 189.978082, 201 => 200.972883, 206 => 205.9744657, 198 => 197.972034, 214 => 213.9998059, 178 => 178.003831, 181 => 180.996653)), - -"Bi" => AtomicSpecies(83, "Bi", Dict(218 => 218.014188, 200 => 199.978131, 224 => 224.03947, 223 => 223.0345, 195 => 194.9806488, 199 => 198.977673, 220 => 220.02235, 221 => 221.02587, 184 => 184.001275, 187 => 186.993147, 188 => 187.992287, 213 => 212.9943851, 190 => 189.988622, -1 => 208.9803991, 197 => 196.9788651, 201 => 200.97701, 215 => 215.00177, 206 => 205.9784993, 189 => 188.989195, 198 => 197.979206, 196 => 195.980667, 204 => 203.9778361, 186 => 185.996644, 214 => 213.998712, 185 => 184.9976, 217 => 217.009372, 219 => 219.01748, 222 => 222.03078, 216 => 216.006306, 203 => 202.976893, 210 => 209.9841207, 212 => 211.991286, 208 => 207.9797425, 191 => 190.9857866, 193 => 192.98296, 194 => 193.982785, 207 => 206.978471, 209 => 208.9803991, 205 => 204.9773867, 211 => 210.9872697, 192 => 191.985469, 202 => 201.977734)), - -"Po" => AtomicSpecies(84, "Po", Dict(220 => 220.016386, 197 => 196.98566, 215 => 214.9994201, 219 => 219.013614, 196 => 195.985526, 186 => 186.004393, 210 => 209.9828741, 191 => 190.9945585, 207 => 206.9815938, 205 => 204.981203, 218 => 218.0089735, 224 => 224.03211, 199 => 198.983667, 188 => 187.999416, 204 => 203.98031, 216 => 216.0019152, 203 => 202.9814161, 208 => 207.9812461, 194 => 193.988186, 211 => 210.9866536, 202 => 201.980758, 200 => 199.981799, 195 => 194.988126, 187 => 187.003041, 213 => 212.9928576, -1 => 0.0, 217 => 217.0063182, 189 => 188.998473, 227 => 227.04539, 222 => 222.02414, 212 => 211.9888684, 225 => 225.03707, 193 => 192.991026, 209 => 208.9824308, 226 => 226.04031, 192 => 191.991336, 223 => 223.02907, 221 => 221.021228, 190 => 189.995101, 201 => 200.9822598, 206 => 205.980474, 198 => 197.983389, 214 => 213.9952017)), - -"At" => AtomicSpecies(85, "At", Dict(218 => 218.008695, 200 => 199.990351, 224 => 224.029749, 223 => 223.025151, 195 => 194.9962685, 199 => 198.9905277, 220 => 220.015433, 221 => 221.018017, 213 => 212.992937, 197 => 196.993189, -1 => 0.0, 201 => 200.9884171, 215 => 214.9986528, 217 => 217.0047192, 206 => 205.986657, 198 => 197.992784, 204 => 203.987251, 196 => 195.9958, 214 => 213.9963721, 219 => 219.0111618, 222 => 222.022494, 227 => 227.04024, 216 => 216.0024236, 203 => 202.986943, 210 => 209.9871479, 212 => 211.9907377, 225 => 225.03263, 228 => 228.04475, 208 => 207.9866133, 191 => 191.004148, 193 => 192.999927, 194 => 193.999236, 207 => 206.9858, 209 => 208.9861702, 205 => 204.986076, 211 => 210.9874966, 226 => 226.03716, 229 => 229.04812, 192 => 192.003152, 202 => 201.98863)), - -"Rn" => AtomicSpecies(86, "Rn", Dict(200 => 199.99569, 224 => 224.024096, 230 => 230.04514, 223 => 223.0218893, 195 => 195.005422, 199 => 198.99839, 220 => 220.0113941, 221 => 221.0155371, 213 => 212.9938831, 197 => 197.001585, -1 => 0.0, 201 => 200.995628, 215 => 214.9987459, 217 => 217.003928, 206 => 205.990214, 198 => 197.998679, 204 => 203.99143, 196 => 196.002116, 214 => 213.995363, 219 => 219.0094804, 222 => 222.0175782, 227 => 227.035304, 216 => 216.0002719, 203 => 202.993388, 210 => 209.9896891, 212 => 211.9907039, 225 => 225.028486, 228 => 228.037835, 208 => 207.989635, 231 => 231.04987, 193 => 193.009708, 207 => 206.9907303, 194 => 194.006144, 209 => 208.990415, 211 => 210.9906011, 205 => 204.991719, 226 => 226.030861, 229 => 229.042257, 202 => 201.993264, 218 => 218.0056016)), - -"Fr" => AtomicSpecies(87, "Fr", Dict(200 => 200.006586, 224 => 224.023398, 230 => 230.042416, 223 => 223.019736, 199 => 199.007259, 220 => 220.0123277, 221 => 221.0142552, 213 => 212.996186, -1 => 0.0, 201 => 201.003867, 215 => 215.0003418, 217 => 217.0046323, 206 => 205.998666, 219 => 219.0092524, 204 => 204.000652, 214 => 213.9989713, 227 => 227.031869, 222 => 222.017552, 233 => 233.05264, 216 => 216.0031899, 203 => 203.0009407, 210 => 209.996422, 212 => 211.9962257, 225 => 225.025573, 228 => 228.035823, 232 => 232.04937, 208 => 207.997138, 231 => 231.045158, 229 => 229.038298, 207 => 206.996946, 209 => 208.995955, 211 => 210.995556, 205 => 204.9985939, 226 => 226.029566, 202 => 202.00332, 218 => 218.0075787)), - -"Ra" => AtomicSpecies(88, "Ra", Dict(224 => 224.020212, 230 => 230.037055, 223 => 223.0185023, 220 => 220.0110259, 221 => 221.0139177, 213 => 213.000384, 234 => 234.050342, -1 => 0.0, 201 => 201.01271, 215 => 215.0027204, 217 => 217.0063207, 206 => 206.003828, 219 => 219.0100855, 204 => 204.006492, 214 => 214.0000997, 227 => 227.0291783, 222 => 222.0153748, 233 => 233.047582, 235 => 235.05497, 216 => 216.0035334, 203 => 203.009304, 210 => 210.000494, 212 => 211.999787, 225 => 225.0236119, 228 => 228.0310707, 232 => 232.0434753, 208 => 208.001841, 231 => 231.041027, 229 => 229.034942, 207 => 207.003799, 209 => 209.00199, 211 => 211.0008932, 205 => 205.006268, 226 => 226.0254103, 202 => 202.00976, 218 => 218.007141)), - -"Ac" => AtomicSpecies(89, "Ac", Dict(224 => 224.0217232, 230 => 230.036327, 223 => 223.0191377, 220 => 220.0147549, 221 => 221.015592, 213 => 213.006609, 234 => 234.048139, -1 => 0.0, 215 => 215.006475, 219 => 219.012421, 217 => 217.009344, 206 => 206.014452, 233 => 233.044346, 235 => 235.05084, 214 => 214.006918, 227 => 227.0277523, 222 => 222.0178442, 237 => 237.05827, 216 => 216.008743, 210 => 210.009436, 212 => 212.007813, 225 => 225.02323, 228 => 228.0310215, 232 => 232.042034, 208 => 208.01155, 231 => 231.038393, 229 => 229.032956, 207 => 207.011966, 209 => 209.009495, 211 => 211.007732, 236 => 236.054988, 226 => 226.0260984, 218 => 218.011642)), - -"Th" => AtomicSpecies(90, "Th", Dict(224 => 224.021464, 230 => 230.0331341, 223 => 223.0208119, 220 => 220.015748, 221 => 221.018184, 213 => 213.013009, 234 => 234.0436014, -1 => 232.0380558, 215 => 215.0117248, 219 => 219.015537, 217 => 217.013117, 237 => 237.053629, 233 => 233.0415823, 235 => 235.047255, 214 => 214.0115, 227 => 227.0277042, 222 => 222.018469, 216 => 216.011056, 210 => 210.015094, 212 => 212.012988, 225 => 225.0239514, 228 => 228.0287413, 239 => 239.06077, 232 => 232.0380558, 208 => 208.0179, 231 => 231.0363046, 229 => 229.0317627, 209 => 209.017753, 211 => 211.014929, 236 => 236.049657, 226 => 226.0249034, 238 => 238.0565, 218 => 218.013276)), - -"Pa" => AtomicSpecies(91, "Pa", Dict(224 => 224.0256176, 230 => 230.034541, 223 => 223.023963, 220 => 220.021705, 221 => 221.021875, 213 => 213.021109, 234 => 234.0433072, -1 => 231.0358842, 215 => 215.019183, 219 => 219.019904, 217 => 217.018325, 237 => 237.051023, 233 => 233.0402472, 235 => 235.045399, 214 => 214.020918, 227 => 227.0288054, 222 => 222.023784, 216 => 216.019109, 212 => 212.023203, 225 => 225.026131, 228 => 228.0310517, 239 => 239.05726, 232 => 232.0385917, 231 => 231.0358842, 241 => 241.06408, 229 => 229.0320972, 240 => 240.06098, 236 => 236.048668, 226 => 226.027948, 238 => 238.054637, 218 => 218.020059)), - -"U" => AtomicSpecies(92, "U", Dict(224 => 224.027605, 230 => 230.0339401, 223 => 223.027739, 220 => 220.02462, 221 => 221.02628, 234 => 234.0409523, -1 => 238.0289104616574, 219 => 219.024999, 217 => 217.02466, 237 => 237.0487304, 233 => 233.0396355, 235 => 235.0439301, 227 => 227.031157, 222 => 222.026, 225 => 225.029391, 228 => 228.031371, 239 => 239.0542935, 232 => 232.0371563, 231 => 231.0362939, 241 => 241.06033, 243 => 243.06699, 229 => 229.0335063, 240 => 240.0565934, 236 => 236.0455682, 242 => 242.06293, 226 => 226.029339, 238 => 238.0507884, 218 => 218.023523)), - -"Np" => AtomicSpecies(93, "Np", Dict(224 => 224.03422, 230 => 230.037828, 223 => 223.03285, 220 => 220.03254, 221 => 221.03204, 234 => 234.0428953, -1 => 0.0, 219 => 219.03143, 237 => 237.0481736, 233 => 233.040741, 235 => 235.0440635, 227 => 227.034957, 222 => 222.0333, 225 => 225.033911, 228 => 228.036067, 239 => 239.0529392, 232 => 232.04011, 231 => 231.038245, 241 => 241.058253, 243 => 243.06428, 245 => 245.0708, 229 => 229.036264, 240 => 240.056165, 236 => 236.04657, 242 => 242.06164, 226 => 226.035188, 238 => 238.0509466, 244 => 244.06785)), - -"Pu" => AtomicSpecies(94, "Pu", Dict(230 => 230.03965, 234 => 234.0433174, -1 => 0.0, 237 => 237.0484098, 233 => 233.042998, 235 => 235.045286, 246 => 246.070205, 239 => 239.0521636, 228 => 228.038732, 232 => 232.041185, 247 => 247.07419, 231 => 231.041102, 241 => 241.0568517, 243 => 243.0620036, 245 => 245.067826, 229 => 229.040144, 240 => 240.0538138, 236 => 236.0460581, 242 => 242.0587428, 238 => 238.0495601, 244 => 244.0642053)), - -"Am" => AtomicSpecies(95, "Am", Dict(230 => 230.04609, 234 => 234.04773, -1 => 0.0, 237 => 237.049996, 233 => 233.04644, 235 => 235.047908, 246 => 246.069775, 239 => 239.0530247, 249 => 249.07848, 232 => 232.04645, 247 => 247.07209, 231 => 231.04556, 241 => 241.0568293, 243 => 243.0613813, 245 => 245.0664548, 240 => 240.0553, 236 => 236.04943, 242 => 242.0595494, 238 => 238.051985, 244 => 244.0642851, 248 => 248.07575)), - -"Cm" => AtomicSpecies(96, "Cm", Dict(252 => 252.08487, 234 => 234.05016, -1 => 0.0, 237 => 237.052869, 233 => 233.05077, 235 => 235.05154, 251 => 251.082286, 246 => 246.0672238, 239 => 239.05491, 249 => 249.0759548, 232 => 232.04982, 247 => 247.0703541, 241 => 241.0576532, 243 => 243.0613893, 245 => 245.0654915, 240 => 240.0555297, 236 => 236.051374, 242 => 242.058836, 238 => 238.053081, 244 => 244.0627528, 248 => 248.0723499, 250 => 250.078358)), - -"Bk" => AtomicSpecies(97, "Bk", Dict(252 => 252.08431, 234 => 234.05727, -1 => 0.0, 237 => 237.0571, 235 => 235.05658, 251 => 251.080762, 253 => 253.08688, 246 => 246.068673, 239 => 239.05824, 249 => 249.0749877, 247 => 247.0703073, 241 => 241.06016, 243 => 243.0630078, 245 => 245.0663618, 240 => 240.05976, 254 => 254.0906, 236 => 236.05748, 242 => 242.06198, 238 => 238.0582, 244 => 244.065181, 248 => 248.073088, 250 => 250.0783167)), - -"Cf" => AtomicSpecies(98, "Cf", Dict(255 => 255.09105, 252 => 252.0816272, 256 => 256.09344, -1 => 0.0, 237 => 237.062198, 251 => 251.0795886, 253 => 253.0851345, 246 => 246.0688055, 239 => 239.06253, 249 => 249.0748539, 247 => 247.070965, 241 => 241.06369, 243 => 243.06548, 245 => 245.0680487, 240 => 240.062256, 254 => 254.087324, 242 => 242.063754, 238 => 238.06149, 244 => 244.0660008, 248 => 248.0721851, 250 => 250.0764062)), - -"Es" => AtomicSpecies(99, "Es", Dict(258 => 258.09952, 255 => 255.090275, 252 => 252.08298, 256 => 256.0936, -1 => 0.0, 251 => 251.0799936, 253 => 253.0848257, 246 => 246.0729, 239 => 239.06823, 249 => 249.076411, 247 => 247.073622, 241 => 241.06856, 243 => 243.06951, 245 => 245.07125, 240 => 240.06892, 254 => 254.0880222, 242 => 242.06957, 244 => 244.07088, 248 => 248.075471, 250 => 250.07861, 257 => 257.09598)), - -"Fm" => AtomicSpecies(100, "Fm", Dict(260 => 260.10281, 258 => 258.09708, 255 => 255.089964, 252 => 252.0824671, 256 => 256.0917745, -1 => 0.0, 251 => 251.08154, 253 => 253.0851846, 246 => 246.07535, 249 => 249.0789275, 259 => 259.1006, 247 => 247.07694, 241 => 241.07421, 243 => 243.07446, 245 => 245.07535, 254 => 254.0868544, 242 => 242.07343, 244 => 244.07404, 248 => 248.0771865, 250 => 250.079521, 257 => 257.0951061)), - -"Md" => AtomicSpecies(101, "Md", Dict(260 => 260.10365, 258 => 258.0984315, 255 => 255.0910841, 252 => 252.08643, 256 => 256.09389, -1 => 0.0, 251 => 251.084774, 253 => 253.087144, 262 => 262.1091, 246 => 246.08171, 249 => 249.08291, 259 => 259.10051, 247 => 247.08152, 245 => 245.08081, 261 => 261.10583, 254 => 254.08959, 250 => 250.08441, 248 => 248.08282, 257 => 257.0955424)), - -"No" => AtomicSpecies(102, "No", Dict(260 => 260.10264, 258 => 258.09821, 255 => 255.093191, 252 => 252.088967, 256 => 256.0942829, 264 => 264.11273, -1 => 0.0, 251 => 251.08894, 253 => 253.0905641, 262 => 262.10746, 249 => 249.0878, 259 => 259.10103, 263 => 263.11071, 261 => 261.1057, 254 => 254.090956, 250 => 250.08756, 248 => 248.08655, 257 => 257.0968878)), - -"Lr" => AtomicSpecies(103, "Lr", Dict(260 => 260.1055, 265 => 265.11619, 258 => 258.10176, 255 => 255.096562, 252 => 252.09526, 256 => 256.098494, 264 => 264.1142, -1 => 0.0, 266 => 266.11983, 251 => 251.09418, 253 => 253.09509, 262 => 262.10961, 259 => 259.102902, 263 => 263.11136, 261 => 261.10688, 254 => 254.09648, 257 => 257.099418)), - -"Rf" => AtomicSpecies(104, "Rf", Dict(260 => 260.10644, 265 => 265.11668, 258 => 258.103428, 268 => 268.12397, 255 => 255.10127, 256 => 256.101152, 264 => 264.11388, -1 => 0.0, 266 => 266.11817, 253 => 253.10044, 262 => 262.10992, 267 => 267.12179, 259 => 259.105596, 263 => 263.11249, 261 => 261.108773, 254 => 254.10005, 257 => 257.102918)), - -"Db" => AtomicSpecies(105, "Db", Dict(260 => 260.1113, 265 => 265.11861, 258 => 258.10928, 268 => 268.12567, 255 => 255.10707, 256 => 256.10789, 264 => 264.11741, -1 => 0.0, 266 => 266.12103, 262 => 262.11407, 270 => 270.13136, 267 => 267.12247, 259 => 259.109492, 263 => 263.11499, 261 => 261.11192, 269 => 269.12791, 257 => 257.10758)), - -"Sg" => AtomicSpecies(106, "Sg", Dict(260 => 260.114384, 265 => 265.12109, 258 => 258.11298, 268 => 268.12539, 271 => 271.13393, 264 => 264.11893, -1 => 0.0, 266 => 266.12198, 272 => 272.13589, 262 => 262.116337, 270 => 270.13043, 267 => 267.12436, 259 => 259.1144, 263 => 263.11829, 261 => 261.115949, 269 => 269.12863, 273 => 273.13958)), - -"Bh" => AtomicSpecies(107, "Bh", Dict(260 => 260.12166, 265 => 265.12491, 268 => 268.12969, 271 => 271.13526, 264 => 264.12459, -1 => 0.0, 266 => 266.12679, 272 => 272.13826, 262 => 262.12297, 275 => 275.14567, 270 => 270.13336, 274 => 274.14355, 267 => 267.1275, 263 => 263.12292, 261 => 261.12145, 269 => 269.13042, 273 => 273.14024)), - -"Hs" => AtomicSpecies(108, "Hs", Dict(265 => 265.129793, 268 => 268.13186, 271 => 271.13717, 277 => 277.1519, 264 => 264.128357, -1 => 0.0, 266 => 266.130046, 272 => 272.1385, 275 => 275.14667, 270 => 270.13429, 274 => 274.1433, 267 => 267.13167, 276 => 276.14846, 263 => 263.12852, 269 => 269.13375, 273 => 273.14168)), - -"Mt" => AtomicSpecies(109, "Mt", Dict(279 => 279.15808, 265 => 265.136, 268 => 268.13865, 278 => 278.15631, 271 => 271.14074, 277 => 277.15327, -1 => 0.0, 266 => 266.13737, 272 => 272.14341, 275 => 275.14882, 270 => 270.14033, 274 => 274.14724, 267 => 267.13719, 276 => 276.15159, 273 => 273.1444, 269 => 269.13882)), - -"Ds" => AtomicSpecies(110, "Ds", Dict(279 => 279.1601, 268 => 268.14348, 278 => 278.15704, 271 => 271.14595, 277 => 277.15591, -1 => 0.0, 272 => 272.14602, 281 => 281.16451, 275 => 275.15203, 270 => 270.144584, 274 => 274.14941, 267 => 267.14377, 276 => 276.15303, 280 => 280.16131, 273 => 273.14856, 269 => 269.144752)), - -"Rg" => AtomicSpecies(111, "Rg", Dict(279 => 279.16272, 278 => 278.16149, 277 => 277.15907, -1 => 0.0, 282 => 282.16912, 272 => 272.15327, 281 => 281.16636, 275 => 275.15594, 274 => 274.15525, 276 => 276.15833, 280 => 280.16514, 283 => 283.17054, 273 => 273.15313)), - -"Cn" => AtomicSpecies(112, "Cn", Dict(279 => 279.16654, 285 => 285.17712, 278 => 278.16416, 277 => 277.16364, -1 => 0.0, 282 => 282.1705, 281 => 281.16975, 276 => 276.16141, 280 => 280.16715, 283 => 283.17327, 284 => 284.17416)), - -"Nh" => AtomicSpecies(113, "Nh", Dict(279 => 279.17095, 287 => 287.18339, 285 => 285.17973, 278 => 278.17058, -1 => 0.0, 282 => 282.17567, 286 => 286.18221, 281 => 281.17348, 280 => 280.17293, 283 => 283.17657, 284 => 284.17873)), - -"Fl" => AtomicSpecies(114, "Fl", Dict(289 => 289.19042, -1 => 0.0, 287 => 287.18678, 285 => 285.18364, 286 => 286.18423, 288 => 288.18757)), - -"Mc" => AtomicSpecies(115, "Mc", Dict(289 => 289.19363, 290 => 290.19598, 291 => 291.19707, -1 => 0.0, 287 => 287.1907, 288 => 288.19274)), - -"Lv" => AtomicSpecies(116, "Lv", Dict(289 => 289.19816, 290 => 290.19864, 291 => 291.20108, -1 => 0.0, 293 => 293.20449, 292 => 292.20174)), - -"Ts" => AtomicSpecies(117, "Ts", Dict(291 => 291.20553, -1 => 0.0, 293 => 293.20824, 292 => 292.20746, 294 => 294.21046)), - -"Og" => AtomicSpecies(118, "Og", Dict(-1 => 0.0, 293 => 293.21356, 294 => 294.21392, 295 => 295.21624)) -) \ No newline at end of file diff --git a/src/constants.jl b/src/constants.jl new file mode 100644 index 0000000..f8e06b6 --- /dev/null +++ b/src/constants.jl @@ -0,0 +1,134 @@ + +# Constants pulled from the NIST table of +# the 2022 CODATA release + + + +##################################################################### +# constants with dimension [mass] +##################################################################### + +const __b_m_electron = .51099895069 * u"MeV/c^2" +# Electron Mass [MeV]/c^2 +const __b_m_proton = 9.382720894300001e2 * u"eV/c^2" +# Proton Mass [MeV]/c^2 +const __b_m_neutron = 9.395654219399999e2 * u"MeV/c^2" +# Neutron Mass [MeV]/c^2 +const __b_m_muon = 1.056583755e2 * u"MeV/c^2" +# Muon Mass [MeV]/c^2 +const __b_m_helion = 2.80839161112e3 * u"MeV/c^2" +# Helion Mass He3 nucleus [MeV]/c^2 +const __b_m_deuteron = 1.875612945e3 * u"MeV/c^2" +# Deuteron Mass [MeV]/c^2 + +# constants mysteriously missing from the release +# picked up from PDG +const __b_m_pion_0 = 1.349768277676847e2 * u"MeV/c^2" +# uncharged pion mass [eV]/c^2 +const __b_m_pion_charged = 1.3957039098368132e2 * u"MeV/c^2" +# charged pion mass [eV]/c^2 + + + + +##################################################################### +# constants with dimension [magnetic moment] +##################################################################### + +const __b_mu_deuteron = 4.330735087e-27 * u"J/T" +# deuteron magnetic moment in [J/T] +const __b_mu_electron = -9.2847646917e-24 * u"J/T" +# electron magnetic moment in [J/T] +const __b_mu_helion = -1.07461755198e-26 * u"J/T" +# helion magnetic moment in [J/T] +const __b_mu_muon = -4.4904483e-26 * u"J/T" +# muon magnetic moment in [J/T] +const __b_mu_neutron = -9.6623653e-27 * u"J/T" +# neutron magnetic moment in [J/T] +const __b_mu_proton = 1.41060679545e-26 * u"J/T" +# proton magnetic moment in [J/T] +const __b_mu_triton = 1.5046095178e-26 * u"J/T" +# triton magnetic moment in [J/T] + + + +##################################################################### +# dimensionless constants +##################################################################### + +const __b_N_avogadro = 6.02214076e23; +# Avogadro's constant: Number / mole (exact) +const __b_fine_structure = 0.0072973525643; +# fine structure constant + + + +##################################################################### +# unit conversion constants +##################################################################### + +const __b_kg_per_amu = 1.66053906892e-27 * u"kg/amu"; +# kg per standard atomic mass unit (dalton) +const __b_eV_per_amu = 9.3149410372e8 * u"(eV/c^2)/amu"; +# eV per standard atomic mass unit (dalton) +const __b_J_per_eV = 1.602176634e-19 * u"J/eV"; +# Joules per eV + + + +##################################################################### +# constants with miscelaneous dimension +##################################################################### + +const __b_e_charge = 1.602176634e-19 * u"C"; +# elementary charge [C] +const __b_r_e = 2.8179403205e-15 * u"m"; +# classical electron radius [m] +const __b_r_p = __b_r_e * __b_m_electron / __b_m_proton *u"m"; +# classical proton radius [m] +const __b_c_light = 2.99792458e8 * u"m/s"; +# speed of light [m/s] +const __b_h_planck = 4.135667696e-15 * u"eV*s"; +# Planck's constant [eV*s] +const __b_h_bar_planck = __b_h_planck / 2pi * u"eV*s"; +# h_planck/twopi [eV*s] +const __b_classical_radius_factor = __b_r_e * __b_m_electron * u"MeV*m/c^2"; +# e^2 / (4 pi eps_0) = classical_radius * mass * c^2. +# Is same for all particles of charge +/- 1. + +const __b_eps_0_vac = 8.8541878188e-12 * u"F/m"; +# Permittivity of free space in [F/m] +const __b_mu_0_vac = 1.25663706127e-6 * u"N/A^2"; +# Vacuum permeability in [N/A^2] (newtons per ampere squared) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +#--------------------------------------------------------------------------------------------------- \ No newline at end of file diff --git a/src/species_initialize.jl b/src/constructors.jl similarity index 70% rename from src/species_initialize.jl rename to src/constructors.jl index 711be27..8c82a80 100644 --- a/src/species_initialize.jl +++ b/src/constructors.jl @@ -1,19 +1,13 @@ +# Package: AtomicAndPhysicalConstants +# file: src/species_initialize.jl +# purpose: define constructors -struct Species - name::String # name of the particle to track - charge::Int32 # charge of the particle (important to consider ionized atoms) in [e] - mass_in_eV::Float64 # mass of the particle in [eV/c^2] - spin::Float64 # spin of the particle in [ħ] - mu::Float64 # magnetic moment of the particle (for now it's 0 unless we have a recorded value) - iso::Int # if the particle is an atomic isotope, this is the mass number, otherwise 0 -end; -export Species - +##################################################################### +##################################################################### -# ------------------------------------------------------------------------------------------------------------ """ subatomic_particle(name::String) @@ -26,13 +20,15 @@ subatomic_particle function subatomic_particle(name::String) # write the particle out directly return Species(name, SUBATOMIC_SPECIES[name].charge, - SUBATOMIC_SPECIES[name].mass_in_eV, - SUBATOMIC_SPECIES[name].spin, + SUBATOMIC_SPECIES[name].mass, + SUBATOMIC_SPECIES[name].planck_spin, SUBATOMIC_SPECIES[name].mu, 0) end -# ----------------------------------------------------------------------------------------------- + +##################################################################### +##################################################################### """ @@ -44,22 +40,22 @@ of information specifice to the chosen particle. # Fields: 1. `name::String': the name of the particle -2. `charge::Int32': the net charge of the particle in units of |e| - - bookkeeping only, thus in internal units - - use the 'charge()' function to get the charge - - in the desired units +2. `int_charge::typeof(1u"q")': the net charge of the particle in units of |e| + - bookkeeping only, thus in internal units + - use the 'charge()' function to get the charge + - in the desired units + +3. `mass::typeof(1.0u"eV/c^2")': the mass of the particle in eV/c^2 + - bookkeeping only, thus in internal units + - use the 'mass()' function to get the mass + - in the desired units -3. `mass_in_eV::Float64': the mass of the particle in eV/c^2 - - bookkeeping only, thus in internal units - - use the 'mass()' function to get the mass - - in the desired units +4. `planck_spin::typeof(1.0u"ħ")': the spin of the particle in ħ -4. `spin::Float64': the spin of the particle in eV⋅s - - (half/integer multiplied with ħ) +5. `moment::typeof(1.0u"eV/T")': the magnetic moment of the particle in eV/T -5. `mu::Float64': the magnetic moment of the particle in eV/T. -5. `iso::Int': if the particle is an atomic isotope, this is the - - mass number, otherwise -1 +6. `iso::Int': if the particle is an atomic isotope, this is the + - mass number, otherwise -1 The Species Struct also has a constructor called Species, documentation for which follows. @@ -147,35 +143,38 @@ function Species(name::String, charge::Int=0, iso::Int=-1) charge = tryparse(Int, chstr) end end - + if count('+', name) != 0 && count('-', name) != 0 + error(f"""You made a typo in "{name}". You have both a + and a - in the name. """) + return + end if haskey(ATOMIC_SPECIES, AS) # is the particle in the Atomic_Particles dictionary? if iso ∉ keys(ATOMIC_SPECIES[AS].mass_in_amu) # error handling if the isotope isn't available error("The isotope you specified is not available: Isotopes are specified by the atomic symbol and integer mass number.") return end - mass_in_eV = begin + mass = begin if anti_atom == false - nmass = uconvert(u"eV/c^2", ATOMIC_SPECIES[AS].mass_in_amu[iso]u"amu"); # mass of the positively charged isotope in eV/c^2 + nmass = uconvert(u"MeV/c^2", ATOMIC_SPECIES[AS].mass_in_amu[iso]u"amu"); # mass of the positively charged isotope in eV/c^2 nmass.val + __b_m_electron.val * (ATOMIC_SPECIES[AS].Z - charge) # put it in eV/c^2 and remove the electrons elseif anti_atom == true - nmass = uconvert(u"eV/c^2", ATOMIC_SPECIES[AS].mass_in_amu[iso]u"amu"); # mass of the positively charged isotope in amu + nmass = uconvert(u"MeV/c^2", ATOMIC_SPECIES[AS].mass_in_amu[iso]u"amu"); # mass of the positively charged isotope in amu nmass.val + __b_m_electron.val * (-ATOMIC_SPECIES[AS].Z + charge) # put it in eV/c^2 and remove the positrons end end if iso == -1 # if it's the average, make an educated guess at the spin partonum = round(ATOMIC_SPECIES[AS].mass_in_amu[iso]) if anti_atom == false - spin = 0.5 * (partonum + (ATOMIC_SPECIES[AS].Z - charge)) + planck_spin = 0.5 * (partonum + (ATOMIC_SPECIES[AS].Z - charge)) elseif anti_atom == true - spin = 0.5 * (partonum + (ATOMIC_SPECIES[AS].Z + charge)) + planck_spin = 0.5 * (partonum + (ATOMIC_SPECIES[AS].Z + charge)) end else # otherwise, use the sum of proton and neutron spins - spin = 0.5 * iso + planck_spin = 0.5 * iso end if anti_atom == false - return Species(AS, charge, mass_in_eV, spin, 0, iso) # return the object to track + return Species(AS, charge*u"q", mass*u"MeV/c^2", planck_spin*u"ħ", 0*u"J/T", iso) # return the object to track elseif anti_atom == true - return Species("anti-" * AS, charge, mass_in_eV, spin, 0, iso) + return Species("anti-" * AS, charge*u"q", mass*u"MeV/c^2", planck_spin*u"ħ", 0u"J/T", iso) end diff --git a/src/isotopes.jl b/src/isotopes.jl new file mode 100644 index 0000000..ae01c60 --- /dev/null +++ b/src/isotopes.jl @@ -0,0 +1,254 @@ + +# AtomicAndPhysicalConstants.jl/src/2024-11-06_isotopes.jl + + +######################################################### + + +"""ATOMIC_SPECIES +Isotopes from NIST data 2024-11-06 +a dictionary of all the available atomic species, +with all the NIST isotopes included; +the key is the element's atomic symbol +n the periodic table, and the value is the relevant +AtomicSpecies struct, _eg_ + +ATOMIC_SPECIES["He"] = AtomicSpecies(2, "He", ...)""" ATOMIC_SPECIES + +ATOMIC_SPECIES = Dict{String, AtomicSpecies}( +"H" => AtomicSpecies(1, "H", Dict{}(5 => 5.035311*u"amu", 4 => 4.02643*u"amu", 6 => 6.04496*u"amu", 7 => 7.0527*u"amu", -1 => 1.0079407540557772*u"amu", 2 => 2.01410177812*u"amu", 3 => 3.0160492779*u"amu", 1 => 1.00782503223*u"amu", )), + +"He" => AtomicSpecies(2, "He", Dict{}(5 => 5.012057*u"amu", 4 => 4.00260325413*u"amu", 6 => 6.018885891*u"amu", 7 => 7.0279907*u"amu", -1 => 4.002601932120929*u"amu", 10 => 10.05279*u"amu", 9 => 9.043946*u"amu", 8 => 8.03393439*u"amu", 3 => 3.0160293201*u"amu", )), + +"Li" => AtomicSpecies(3, "Li", Dict{}(5 => 5.012538*u"amu", 12 => 12.052517*u"amu", 8 => 8.022486246*u"amu", 6 => 6.0151228874*u"amu", -1 => 6.94003660291572*u"amu", 11 => 11.04372358*u"amu", 9 => 9.02679019*u"amu", 3 => 3.0308*u"amu", 7 => 7.0160034366*u"amu", 4 => 4.02719*u"amu", 13 => 13.06263*u"amu", 10 => 10.035483*u"amu", )), + +"Be" => AtomicSpecies(4, "Be", Dict{}(5 => 5.0399*u"amu", 16 => 16.06167*u"amu", 12 => 12.0269221*u"amu", 8 => 8.005305102*u"amu", 6 => 6.0197264*u"amu", -1 => 9.012183065*u"amu", 11 => 11.02166108*u"amu", 9 => 9.012183065*u"amu", 14 => 14.04289*u"amu", 7 => 7.016928717*u"amu", 13 => 13.036135*u"amu", 15 => 15.05342*u"amu", 10 => 10.013534695*u"amu", )), + +"B" => AtomicSpecies(5, "B", Dict{}(16 => 16.039842*u"amu", 20 => 20.07207*u"amu", 12 => 12.0143527*u"amu", 8 => 8.0246073*u"amu", 17 => 17.04699*u"amu", 19 => 19.0631*u"amu", 6 => 6.0508*u"amu", -1 => 10.811028046410001*u"amu", 11 => 11.00930536*u"amu", 9 => 9.01332965*u"amu", 14 => 14.025404*u"amu", 7 => 7.029712*u"amu", 13 => 13.0177802*u"amu", 15 => 15.031088*u"amu", 21 => 21.08129*u"amu", 10 => 10.01293695*u"amu", 18 => 18.05566*u"amu", )), + +"C" => AtomicSpecies(6, "C", Dict{}(16 => 16.0147013*u"amu", 20 => 20.04032*u"amu", 12 => 12.0*u"amu", 8 => 8.037643*u"amu", 17 => 17.022577*u"amu", 23 => 23.0689*u"amu", 19 => 19.0348*u"amu", 22 => 22.05753*u"amu", -1 => 12.010735896735248*u"amu", 11 => 11.0114336*u"amu", 9 => 9.0310372*u"amu", 14 => 14.0032419884*u"amu", 13 => 13.00335483507*u"amu", 15 => 15.01059926*u"amu", 21 => 21.049*u"amu", 10 => 10.01685331*u"amu", 18 => 18.026751*u"amu", )), + +"N" => AtomicSpecies(7, "N", Dict{}(16 => 16.0061019*u"amu", 20 => 20.023366*u"amu", 12 => 12.0186132*u"amu", 24 => 24.05039*u"amu", 17 => 17.008449*u"amu", 23 => 23.04114*u"amu", 19 => 19.017022*u"amu", 22 => 22.03439*u"amu", -1 => 14.006703211445798*u"amu", 11 => 11.026091*u"amu", 14 => 14.00307400443*u"amu", 25 => 25.0601*u"amu", 13 => 13.00573861*u"amu", 15 => 15.00010889888*u"amu", 21 => 21.02711*u"amu", 10 => 10.04165*u"amu", 18 => 18.014078*u"amu", )), + +"O" => AtomicSpecies(8, "O", Dict{}(16 => 15.99491461957*u"amu", 20 => 20.00407535*u"amu", 12 => 12.034262*u"amu", 24 => 24.01986*u"amu", 28 => 28.05591*u"amu", 17 => 16.9991317565*u"amu", 23 => 23.015696*u"amu", 19 => 19.003578*u"amu", 22 => 22.009966*u"amu", -1 => 15.999404924318277*u"amu", 14 => 14.00859636*u"amu", 25 => 25.02936*u"amu", 13 => 13.024815*u"amu", 15 => 15.00306562*u"amu", 21 => 21.008655*u"amu", 27 => 27.04772*u"amu", 18 => 17.99915961286*u"amu", 26 => 26.03729*u"amu", )), + +"F" => AtomicSpecies(9, "F", Dict{}(16 => 16.0114657*u"amu", 20 => 19.999981252*u"amu", 24 => 24.008115*u"amu", 28 => 28.03534*u"amu", 30 => 30.05165*u"amu", 17 => 17.00209524*u"amu", 23 => 23.003557*u"amu", 19 => 18.99840316273*u"amu", 22 => 22.002999*u"amu", -1 => 18.99840316273*u"amu", 31 => 31.05971*u"amu", 14 => 14.034315*u"amu", 29 => 29.04254*u"amu", 25 => 25.012199*u"amu", 15 => 15.018043*u"amu", 21 => 20.9999489*u"amu", 27 => 27.02644*u"amu", 18 => 18.00093733*u"amu", 26 => 26.020038*u"amu", )), + +"Ne" => AtomicSpecies(10, "Ne", Dict{}(16 => 16.02575*u"amu", 20 => 19.9924401762*u"amu", 24 => 23.99361065*u"amu", 28 => 28.01212*u"amu", 30 => 30.02473*u"amu", 17 => 17.01771396*u"amu", 23 => 22.99446691*u"amu", 19 => 19.00188091*u"amu", 22 => 21.991385114*u"amu", 32 => 32.03972*u"amu", -1 => 20.18004638052026*u"amu", 31 => 31.0331*u"amu", 29 => 29.01975*u"amu", 33 => 33.04938*u"amu", 25 => 24.997789*u"amu", 34 => 34.05673*u"amu", 21 => 20.993846685*u"amu", 27 => 27.007553*u"amu", 18 => 18.0057087*u"amu", 26 => 26.000515*u"amu", )), + +"Na" => AtomicSpecies(11, "Na", Dict{}(35 => 35.04062*u"amu", 20 => 20.0073544*u"amu", 24 => 23.99096295*u"amu", 28 => 27.998939*u"amu", 30 => 30.0090979*u"amu", 37 => 37.05705*u"amu", 23 => 22.989769282*u"amu", 19 => 19.01388*u"amu", 22 => 21.99443741*u"amu", 32 => 32.02019*u"amu", -1 => 22.989769282*u"amu", 36 => 36.04929*u"amu", 31 => 31.013163*u"amu", 29 => 29.0028771*u"amu", 33 => 33.02573*u"amu", 25 => 24.989954*u"amu", 34 => 34.03359*u"amu", 21 => 20.99765469*u"amu", 27 => 26.9940765*u"amu", 18 => 18.02688*u"amu", 26 => 25.9926346*u"amu", )), + +"Mg" => AtomicSpecies(12, "Mg", Dict{}(35 => 35.01679*u"amu", 20 => 20.01885*u"amu", 24 => 23.985041697*u"amu", 28 => 27.9838767*u"amu", 30 => 29.9904629*u"amu", 37 => 37.03037*u"amu", 23 => 22.99412421*u"amu", 19 => 19.034169*u"amu", 22 => 21.99957065*u"amu", 32 => 31.9991102*u"amu", -1 => 24.3050516198371*u"amu", 36 => 36.02188*u"amu", 31 => 30.996648*u"amu", 39 => 39.04538*u"amu", 29 => 28.988617*u"amu", 33 => 33.0053271*u"amu", 25 => 24.985836976*u"amu", 40 => 40.05218*u"amu", 34 => 34.008935*u"amu", 21 => 21.011716*u"amu", 27 => 26.984340624*u"amu", 38 => 38.03658*u"amu", 26 => 25.982592968*u"amu", )), + +"Al" => AtomicSpecies(13, "Al", Dict{}(35 => 34.999764*u"amu", 24 => 23.9999489*u"amu", 28 => 27.98191021*u"amu", 30 => 29.98296*u"amu", 37 => 37.01053*u"amu", 23 => 23.00724435*u"amu", 22 => 22.01954*u"amu", 32 => 31.988085*u"amu", 41 => 41.03638*u"amu", 43 => 43.05147*u"amu", -1 => 26.98153853*u"amu", 36 => 36.00639*u"amu", 31 => 30.983945*u"amu", 39 => 39.02254*u"amu", 29 => 28.9804565*u"amu", 33 => 32.990909*u"amu", 25 => 24.9904281*u"amu", 40 => 40.03003*u"amu", 34 => 33.996705*u"amu", 21 => 21.02897*u"amu", 27 => 26.98153853*u"amu", 38 => 38.0174*u"amu", 26 => 25.986891904*u"amu", 42 => 42.04384*u"amu", )), + +"Si" => AtomicSpecies(14, "Si", Dict{}(35 => 34.984583*u"amu", 24 => 24.011535*u"amu", 28 => 27.97692653465*u"amu", 30 => 29.973770136*u"amu", 37 => 36.992921*u"amu", 23 => 23.02544*u"amu", 22 => 22.03579*u"amu", 32 => 31.97415154*u"amu", 41 => 41.01301*u"amu", 43 => 43.0248*u"amu", -1 => 28.085498705705955*u"amu", 36 => 35.986695*u"amu", 44 => 44.03061*u"amu", 31 => 30.975363194*u"amu", 45 => 45.03995*u"amu", 39 => 39.002491*u"amu", 29 => 28.9764946649*u"amu", 33 => 32.97797696*u"amu", 25 => 25.004109*u"amu", 40 => 40.00583*u"amu", 34 => 33.978576*u"amu", 27 => 26.98670481*u"amu", 38 => 37.995523*u"amu", 26 => 25.99233384*u"amu", 42 => 42.01778*u"amu", )), + +"P" => AtomicSpecies(15, "P", Dict{}(35 => 34.9733141*u"amu", 24 => 24.03577*u"amu", 28 => 27.9923266*u"amu", 30 => 29.97831375*u"amu", 37 => 36.979607*u"amu", 32 => 31.973907643*u"amu", 47 => 47.03139*u"amu", 41 => 40.994654*u"amu", 43 => 43.00502*u"amu", -1 => 30.97376199842*u"amu", 36 => 35.97826*u"amu", 44 => 44.01121*u"amu", 31 => 30.97376199842*u"amu", 45 => 45.01645*u"amu", 39 => 38.986227*u"amu", 29 => 28.98180079*u"amu", 33 => 32.9717257*u"amu", 25 => 25.02119*u"amu", 46 => 46.02446*u"amu", 40 => 39.99133*u"amu", 34 => 33.97364589*u"amu", 27 => 26.999224*u"amu", 38 => 37.984252*u"amu", 26 => 26.01178*u"amu", 42 => 42.00108*u"amu", )), + +"S" => AtomicSpecies(16, "S", Dict{}(35 => 34.96903231*u"amu", 30 => 29.98490703*u"amu", 28 => 28.00437*u"amu", 37 => 36.97112551*u"amu", 32 => 31.9720711744*u"amu", 47 => 47.00795*u"amu", 41 => 40.9795935*u"amu", 43 => 42.9869076*u"amu", -1 => 32.06478740612706*u"amu", 36 => 35.96708071*u"amu", 44 => 43.9901188*u"amu", 31 => 30.97955701*u"amu", 45 => 44.99572*u"amu", 49 => 49.02276*u"amu", 39 => 38.975134*u"amu", 29 => 28.996611*u"amu", 33 => 32.9714589098*u"amu", 46 => 46.00004*u"amu", 40 => 39.9754826*u"amu", 48 => 48.0137*u"amu", 34 => 33.967867004*u"amu", 27 => 27.01828*u"amu", 38 => 37.9711633*u"amu", 26 => 26.02907*u"amu", 42 => 41.9810651*u"amu", )), + +"Cl" => AtomicSpecies(17, "Cl", Dict{}(35 => 34.968852682*u"amu", 30 => 30.00477*u"amu", 28 => 28.02954*u"amu", 37 => 36.965902602*u"amu", 32 => 31.98568464*u"amu", 47 => 46.98916*u"amu", 41 => 40.970685*u"amu", 43 => 42.97389*u"amu", -1 => 35.452937582608*u"amu", 36 => 35.968306809*u"amu", 44 => 43.97787*u"amu", 31 => 30.992414*u"amu", 45 => 44.98029*u"amu", 49 => 49.00123*u"amu", 39 => 38.9680082*u"amu", 51 => 51.01554*u"amu", 29 => 29.01478*u"amu", 33 => 32.97745199*u"amu", 46 => 45.98517*u"amu", 40 => 39.970415*u"amu", 48 => 47.99564*u"amu", 34 => 33.973762485*u"amu", 50 => 50.00905*u"amu", 38 => 37.96801044*u"amu", 42 => 41.97325*u"amu", )), + +"Ar" => AtomicSpecies(18, "Ar", Dict{}(35 => 34.97525759*u"amu", 52 => 51.99896*u"amu", 30 => 30.02307*u"amu", 37 => 36.96677633*u"amu", 53 => 53.00729*u"amu", 32 => 31.9976378*u"amu", 47 => 46.972935*u"amu", 41 => 40.96450057*u"amu", 43 => 42.9656361*u"amu", -1 => 39.947798563582005*u"amu", 36 => 35.967545105*u"amu", 44 => 43.9649238*u"amu", 31 => 31.01212*u"amu", 45 => 44.96803973*u"amu", 49 => 48.9819*u"amu", 39 => 38.964313*u"amu", 51 => 50.9937*u"amu", 33 => 32.98992555*u"amu", 46 => 45.968083*u"amu", 40 => 39.9623831237*u"amu", 48 => 47.97591*u"amu", 34 => 33.98027009*u"amu", 50 => 49.98613*u"amu", 38 => 37.96273211*u"amu", 42 => 41.9630457*u"amu", )), + +"K" => AtomicSpecies(19, "K", Dict{}(56 => 56.00851*u"amu", 35 => 34.98800541*u"amu", 55 => 55.00076*u"amu", 52 => 51.98224*u"amu", 37 => 36.97337589*u"amu", 53 => 52.98746*u"amu", 32 => 32.02265*u"amu", 47 => 46.9616616*u"amu", 41 => 40.9618252579*u"amu", 43 => 42.9607347*u"amu", -1 => 39.098300910086*u"amu", 36 => 35.98130201*u"amu", 44 => 43.96158699*u"amu", 45 => 44.96069149*u"amu", 49 => 48.96821075*u"amu", 39 => 38.9637064864*u"amu", 51 => 50.975828*u"amu", 33 => 33.00756*u"amu", 46 => 45.96198159*u"amu", 40 => 39.963998166*u"amu", 48 => 47.96534119*u"amu", 34 => 33.99869*u"amu", 50 => 49.97238*u"amu", 54 => 53.99463*u"amu", 38 => 37.96908112*u"amu", 42 => 41.96240231*u"amu", )), + +"Ca" => AtomicSpecies(20, "Ca", Dict{}(56 => 55.98508*u"amu", 35 => 35.00514*u"amu", 55 => 54.9803*u"amu", 58 => 57.99794*u"amu", 52 => 51.963217*u"amu", 37 => 36.98589785*u"amu", 53 => 52.96945*u"amu", 47 => 46.9545424*u"amu", 41 => 40.96227792*u"amu", 43 => 42.95876644*u"amu", -1 => 40.078022511017735*u"amu", 36 => 35.993074*u"amu", 44 => 43.95548156*u"amu", 45 => 44.95618635*u"amu", 49 => 48.95566274*u"amu", 39 => 38.97071081*u"amu", 51 => 50.960989*u"amu", 46 => 45.953689*u"amu", 57 => 56.99262*u"amu", 40 => 39.962590863*u"amu", 48 => 47.95252276*u"amu", 34 => 34.01487*u"amu", 50 => 49.9574992*u"amu", 54 => 53.9734*u"amu", 38 => 37.97631922*u"amu", 42 => 41.95861783*u"amu", )), + +"Sc" => AtomicSpecies(21, "Sc", Dict{}(56 => 55.97345*u"amu", 55 => 54.96782*u"amu", 58 => 57.98403*u"amu", 52 => 51.95688*u"amu", 60 => 59.99565*u"amu", 37 => 37.00374*u"amu", 53 => 52.95909*u"amu", 47 => 46.9524037*u"amu", 41 => 40.969251105*u"amu", 43 => 42.9611505*u"amu", -1 => 44.95590828*u"amu", 36 => 36.01648*u"amu", 44 => 43.9594029*u"amu", 45 => 44.95590828*u"amu", 49 => 48.9500146*u"amu", 39 => 38.984785*u"amu", 51 => 50.953592*u"amu", 61 => 61.001*u"amu", 46 => 45.95516826*u"amu", 57 => 56.97777*u"amu", 40 => 39.9779673*u"amu", 48 => 47.9522236*u"amu", 59 => 58.98894*u"amu", 50 => 49.952176*u"amu", 54 => 53.96393*u"amu", 38 => 37.99512*u"amu", 42 => 41.96551653*u"amu", )), + +"Ti" => AtomicSpecies(22, "Ti", Dict{}(56 => 55.95791*u"amu", 55 => 54.95527*u"amu", 58 => 57.9666*u"amu", 52 => 51.946893*u"amu", 60 => 59.97603*u"amu", 53 => 52.94973*u"amu", 47 => 46.95175879*u"amu", 41 => 40.983148*u"amu", 43 => 42.9685225*u"amu", -1 => 47.866744962721995*u"amu", 44 => 43.95968995*u"amu", 45 => 44.95812198*u"amu", 49 => 48.94786568*u"amu", 39 => 39.00236*u"amu", 51 => 50.94661065*u"amu", 61 => 60.98245*u"amu", 46 => 45.95262772*u"amu", 57 => 56.96364*u"amu", 40 => 39.9905*u"amu", 48 => 47.94794198*u"amu", 59 => 58.97247*u"amu", 50 => 49.94478689*u"amu", 54 => 53.95105*u"amu", 63 => 62.99375*u"amu", 38 => 38.01145*u"amu", 42 => 41.97304903*u"amu", 62 => 61.98651*u"amu", )), + +"V" => AtomicSpecies(23, "V", Dict{}(56 => 55.95048*u"amu", 55 => 54.94724*u"amu", 58 => 57.95672*u"amu", 52 => 51.94477301*u"amu", 60 => 59.96431*u"amu", 53 => 52.9443367*u"amu", 47 => 46.95490491*u"amu", 41 => 41.00021*u"amu", 43 => 42.980766*u"amu", -1 => 50.941465037425004*u"amu", 44 => 43.97411*u"amu", 45 => 44.9657748*u"amu", 49 => 48.9485118*u"amu", 51 => 50.94395704*u"amu", 61 => 60.96725*u"amu", 64 => 63.98264*u"amu", 46 => 45.96019878*u"amu", 66 => 65.99398*u"amu", 57 => 56.95252*u"amu", 40 => 40.01276*u"amu", 48 => 47.9522522*u"amu", 59 => 58.95939*u"amu", 50 => 49.94715601*u"amu", 65 => 64.9875*u"amu", 54 => 53.946439*u"amu", 63 => 62.97639*u"amu", 42 => 41.99182*u"amu", 62 => 61.97265*u"amu", )), + +"Cr" => AtomicSpecies(24, "Cr", Dict{}(56 => 55.9406531*u"amu", 55 => 54.94083843*u"amu", 58 => 57.94435*u"amu", 52 => 51.94050623*u"amu", 60 => 59.95008*u"amu", 53 => 52.94064815*u"amu", 47 => 46.9628974*u"amu", 49 => 48.9513333*u"amu", 43 => 42.99753*u"amu", -1 => 51.9961317554337*u"amu", 44 => 43.98536*u"amu", 45 => 44.97905*u"amu", 67 => 66.98016*u"amu", 68 => 67.98403*u"amu", 51 => 50.94476502*u"amu", 61 => 60.95442*u"amu", 64 => 63.96408*u"amu", 46 => 45.968359*u"amu", 66 => 65.97366*u"amu", 57 => 56.943613*u"amu", 48 => 47.9540291*u"amu", 59 => 58.94859*u"amu", 50 => 49.94604183*u"amu", 65 => 64.96996*u"amu", 54 => 53.93887916*u"amu", 63 => 62.96165*u"amu", 42 => 42.0067*u"amu", 62 => 61.9561*u"amu", )), + +"Mn" => AtomicSpecies(25, "Mn", Dict{}(56 => 55.93890369*u"amu", 55 => 54.93804391*u"amu", 58 => 57.9400666*u"amu", 52 => 51.9455639*u"amu", 60 => 59.9431366*u"amu", 53 => 52.94128889*u"amu", 47 => 46.975775*u"amu", 49 => 48.959595*u"amu", 67 => 66.96424*u"amu", -1 => 54.93804391*u"amu", 44 => 44.00715*u"amu", 45 => 44.99449*u"amu", 68 => 67.96962*u"amu", 69 => 68.97366*u"amu", 51 => 50.94820847*u"amu", 61 => 60.9444525*u"amu", 64 => 63.9538494*u"amu", 46 => 45.98609*u"amu", 71 => 70.98368*u"amu", 66 => 65.960547*u"amu", 57 => 56.9382861*u"amu", 48 => 47.96852*u"amu", 59 => 58.9403911*u"amu", 50 => 49.95423778*u"amu", 65 => 64.9560198*u"amu", 54 => 53.9403576*u"amu", 63 => 62.9496647*u"amu", 70 => 69.97937*u"amu", 62 => 61.94795*u"amu", )), + +"Fe" => AtomicSpecies(26, "Fe", Dict{}(56 => 55.93493633*u"amu", 55 => 54.93829199*u"amu", 58 => 57.93327443*u"amu", 52 => 51.9481131*u"amu", 60 => 59.9340711*u"amu", 72 => 71.96983*u"amu", 53 => 52.9453064*u"amu", 47 => 46.99185*u"amu", 49 => 48.973429*u"amu", 67 => 66.95054*u"amu", -1 => 55.845144433865904*u"amu", 45 => 45.01442*u"amu", 68 => 67.95295*u"amu", 69 => 68.95807*u"amu", 73 => 72.97572*u"amu", 74 => 73.97935*u"amu", 51 => 50.956841*u"amu", 61 => 60.9367462*u"amu", 64 => 63.9409878*u"amu", 46 => 46.00063*u"amu", 71 => 70.96672*u"amu", 66 => 65.94625*u"amu", 57 => 56.93539284*u"amu", 48 => 47.98023*u"amu", 59 => 58.93487434*u"amu", 50 => 49.962975*u"amu", 65 => 64.9450115*u"amu", 54 => 53.93960899*u"amu", 63 => 62.9402727*u"amu", 70 => 69.96102*u"amu", 62 => 61.9367918*u"amu", )), + +"Co" => AtomicSpecies(27, "Co", Dict{}(56 => 55.9398388*u"amu", 55 => 54.9419972*u"amu", 58 => 57.9357521*u"amu", 52 => 51.96351*u"amu", 60 => 59.9338163*u"amu", 72 => 71.95729*u"amu", 75 => 74.96876*u"amu", 53 => 52.9542041*u"amu", 47 => 47.01057*u"amu", 49 => 48.98891*u"amu", 67 => 66.9406096*u"amu", -1 => 58.93319429*u"amu", 68 => 67.94426*u"amu", 69 => 68.94614*u"amu", 73 => 72.96039*u"amu", 74 => 73.96515*u"amu", 51 => 50.970647*u"amu", 61 => 60.93247662*u"amu", 64 => 63.935811*u"amu", 71 => 70.95237*u"amu", 66 => 65.939443*u"amu", 76 => 75.97413*u"amu", 57 => 56.93629057*u"amu", 48 => 48.00093*u"amu", 59 => 58.93319429*u"amu", 50 => 49.98091*u"amu", 65 => 64.9364621*u"amu", 54 => 53.94845987*u"amu", 63 => 62.9336*u"amu", 70 => 69.94963*u"amu", 62 => 61.934059*u"amu", )), + +"Ni" => AtomicSpecies(28, "Ni", Dict{}(78 => 77.96336*u"amu", 56 => 55.94212855*u"amu", 55 => 54.95133063*u"amu", 79 => 78.97025*u"amu", 58 => 57.93534241*u"amu", 52 => 51.9748*u"amu", 60 => 59.93078588*u"amu", 72 => 71.9417859*u"amu", 75 => 74.9525*u"amu", 53 => 52.96819*u"amu", 49 => 49.0077*u"amu", 67 => 66.9315694*u"amu", -1 => 58.69334710994765*u"amu", 68 => 67.9318688*u"amu", 69 => 68.9356103*u"amu", 73 => 72.9462067*u"amu", 74 => 73.94798*u"amu", 51 => 50.98611*u"amu", 61 => 60.93105557*u"amu", 64 => 63.92796682*u"amu", 77 => 76.96055*u"amu", 71 => 70.940519*u"amu", 66 => 65.9291393*u"amu", 76 => 75.95533*u"amu", 57 => 56.93979218*u"amu", 48 => 48.01769*u"amu", 59 => 58.9343462*u"amu", 50 => 49.99474*u"amu", 65 => 64.93008517*u"amu", 54 => 53.957892*u"amu", 63 => 62.92966963*u"amu", 70 => 69.9364313*u"amu", 62 => 61.92834537*u"amu", )), + +"Cu" => AtomicSpecies(29, "Cu", Dict{}(78 => 77.95223*u"amu", 56 => 55.95895*u"amu", 55 => 54.96604*u"amu", 79 => 78.95502*u"amu", 81 => 80.96587*u"amu", 58 => 57.94453305*u"amu", 52 => 51.99671*u"amu", 60 => 59.9373645*u"amu", 72 => 71.9358203*u"amu", 75 => 74.9415226*u"amu", 53 => 52.98459*u"amu", 67 => 66.9277303*u"amu", -1 => 63.54603994583*u"amu", 68 => 67.9296109*u"amu", 69 => 68.9294293*u"amu", 73 => 72.9366744*u"amu", 82 => 81.97244*u"amu", 74 => 73.9398749*u"amu", 80 => 79.96089*u"amu", 64 => 63.92976434*u"amu", 61 => 60.9334576*u"amu", 77 => 76.94792*u"amu", 71 => 70.9326768*u"amu", 66 => 65.92886903*u"amu", 76 => 75.945275*u"amu", 57 => 56.9492125*u"amu", 59 => 58.93949748*u"amu", 70 => 69.9323921*u"amu", 65 => 64.9277897*u"amu", 54 => 53.97666*u"amu", 63 => 62.92959772*u"amu", 62 => 61.93259541*u"amu", )), + +"Zn" => AtomicSpecies(30, "Zn", Dict{}(78 => 77.9382892*u"amu", 56 => 55.97254*u"amu", 55 => 54.98398*u"amu", 79 => 78.9426381*u"amu", 81 => 80.9504026*u"amu", 58 => 57.954591*u"amu", 60 => 59.9418421*u"amu", 72 => 71.9268428*u"amu", 75 => 74.9328402*u"amu", 83 => 82.96056*u"amu", 67 => 66.92712775*u"amu", -1 => 65.37778252952499*u"amu", 68 => 67.92484455*u"amu", 69 => 68.9265507*u"amu", 73 => 72.9295826*u"amu", 82 => 81.95426*u"amu", 85 => 84.97226*u"amu", 74 => 73.9294073*u"amu", 80 => 79.9445529*u"amu", 64 => 63.92914201*u"amu", 61 => 60.939507*u"amu", 77 => 76.9368872*u"amu", 84 => 83.96521*u"amu", 71 => 70.9277196*u"amu", 66 => 65.92603381*u"amu", 76 => 75.933115*u"amu", 57 => 56.96506*u"amu", 59 => 58.94931266*u"amu", 70 => 69.9253192*u"amu", 65 => 64.92924077*u"amu", 54 => 53.99204*u"amu", 63 => 62.9332115*u"amu", 62 => 61.93433397*u"amu", )), + +"Ga" => AtomicSpecies(31, "Ga", Dict{}(78 => 77.9316088*u"amu", 56 => 55.99536*u"amu", 79 => 78.9328523*u"amu", 81 => 80.9381338*u"amu", 58 => 57.97478*u"amu", 60 => 59.95729*u"amu", 72 => 71.92636747*u"amu", 75 => 74.9265002*u"amu", 83 => 82.9471203*u"amu", 67 => 66.9282025*u"amu", -1 => 69.7230660725936*u"amu", 68 => 67.9279805*u"amu", 69 => 68.9255735*u"amu", 73 => 72.9251747*u"amu", 82 => 81.9431765*u"amu", 85 => 84.95699*u"amu", 74 => 73.9269457*u"amu", 80 => 79.9364208*u"amu", 64 => 63.9368404*u"amu", 61 => 60.949399*u"amu", 77 => 76.9291543*u"amu", 84 => 83.95246*u"amu", 71 => 70.92470258*u"amu", 66 => 65.9315894*u"amu", 76 => 75.9288276*u"amu", 57 => 56.9832*u"amu", 59 => 58.96353*u"amu", 70 => 69.9260219*u"amu", 65 => 64.93273459*u"amu", 63 => 62.9392942*u"amu", 86 => 85.96301*u"amu", 62 => 61.94419025*u"amu", 87 => 86.96824*u"amu", )), + +"Ge" => AtomicSpecies(32, "Ge", Dict{}(78 => 77.9228529*u"amu", 79 => 78.92536*u"amu", 81 => 80.9288329*u"amu", 58 => 57.99172*u"amu", 60 => 59.97036*u"amu", 72 => 71.922075826*u"amu", 75 => 74.92285837*u"amu", 83 => 82.9345391*u"amu", 67 => 66.9327339*u"amu", -1 => 72.6275501646868*u"amu", 68 => 67.9280953*u"amu", 69 => 68.9279645*u"amu", 73 => 72.923458956*u"amu", 82 => 81.929774*u"amu", 85 => 84.9429697*u"amu", 74 => 73.921177761*u"amu", 89 => 88.96379*u"amu", 80 => 79.9253508*u"amu", 64 => 63.9416899*u"amu", 61 => 60.96379*u"amu", 77 => 76.923549843*u"amu", 84 => 83.9375751*u"amu", 71 => 70.92495233*u"amu", 90 => 89.96863*u"amu", 66 => 65.9338621*u"amu", 76 => 75.921402726*u"amu", 59 => 58.98249*u"amu", 70 => 69.92424875*u"amu", 65 => 64.9393681*u"amu", 63 => 62.949628*u"amu", 86 => 85.94658*u"amu", 88 => 87.95691*u"amu", 62 => 61.95502*u"amu", 87 => 86.95268*u"amu", )), + +"As" => AtomicSpecies(33, "As", Dict{}(78 => 77.921828*u"amu", 79 => 78.9209484*u"amu", 81 => 80.9221323*u"amu", 60 => 59.99388*u"amu", 72 => 71.9267523*u"amu", 75 => 74.92159457*u"amu", 83 => 82.9252069*u"amu", 92 => 91.96674*u"amu", 67 => 66.93925111*u"amu", -1 => 74.92159457*u"amu", 68 => 67.9367741*u"amu", 69 => 68.932246*u"amu", 73 => 72.9238291*u"amu", 82 => 81.9247412*u"amu", 85 => 84.9321637*u"amu", 74 => 73.9239286*u"amu", 89 => 88.94976*u"amu", 80 => 79.9224746*u"amu", 64 => 63.95743*u"amu", 61 => 60.98112*u"amu", 77 => 76.9206476*u"amu", 84 => 83.9293033*u"amu", 71 => 70.9271138*u"amu", 90 => 89.95563*u"amu", 66 => 65.9441488*u"amu", 76 => 75.92239202*u"amu", 70 => 69.930926*u"amu", 65 => 64.949611*u"amu", 63 => 62.9639*u"amu", 86 => 85.9367015*u"amu", 88 => 87.94555*u"amu", 91 => 90.96039*u"amu", 62 => 61.97361*u"amu", 87 => 86.9402917*u"amu", )), + +"Se" => AtomicSpecies(34, "Se", Dict{}(78 => 77.91730928*u"amu", 79 => 78.91849929*u"amu", 81 => 80.917993*u"amu", 72 => 71.9271405*u"amu", 75 => 74.92252287*u"amu", 83 => 82.9191186*u"amu", 92 => 91.94984*u"amu", 67 => 66.949994*u"amu", -1 => 78.95938855701361*u"amu", 68 => 67.94182524*u"amu", 69 => 68.9394148*u"amu", 73 => 72.9267549*u"amu", 82 => 81.9166995*u"amu", 85 => 84.9222608*u"amu", 74 => 73.922475934*u"amu", 89 => 88.9366691*u"amu", 80 => 79.9165218*u"amu", 64 => 63.97109*u"amu", 84 => 83.9184668*u"amu", 77 => 76.919914154*u"amu", 94 => 93.96049*u"amu", 95 => 94.9673*u"amu", 71 => 70.9322094*u"amu", 90 => 89.9401*u"amu", 66 => 65.95559*u"amu", 76 => 75.919213704*u"amu", 70 => 69.9335155*u"amu", 93 => 92.95629*u"amu", 65 => 64.9644*u"amu", 86 => 85.9243117*u"amu", 88 => 87.9314175*u"amu", 91 => 90.94596*u"amu", 87 => 86.9286886*u"amu", )), + +"Br" => AtomicSpecies(35, "Br", Dict{}(78 => 77.9211459*u"amu", 79 => 78.9183376*u"amu", 81 => 80.9162897*u"amu", 72 => 71.9365886*u"amu", 75 => 74.9258105*u"amu", 83 => 82.9151756*u"amu", 92 => 91.9396316*u"amu", 67 => 66.96465*u"amu", -1 => 79.90352778050999*u"amu", 68 => 67.95873*u"amu", 69 => 68.950497*u"amu", 98 => 97.96946*u"amu", 73 => 72.9316715*u"amu", 82 => 81.9168032*u"amu", 85 => 84.9156458*u"amu", 74 => 73.9299102*u"amu", 89 => 88.9267046*u"amu", 80 => 79.9185298*u"amu", 96 => 95.95903*u"amu", 84 => 83.916496*u"amu", 77 => 76.9213792*u"amu", 94 => 93.9489*u"amu", 95 => 94.95301*u"amu", 71 => 70.9393422*u"amu", 90 => 89.9312928*u"amu", 76 => 75.924542*u"amu", 70 => 69.944792*u"amu", 93 => 92.94313*u"amu", 86 => 85.9188054*u"amu", 97 => 96.96344*u"amu", 88 => 87.9240833*u"amu", 91 => 90.9343986*u"amu", 87 => 86.920674*u"amu", )), + +"Kr" => AtomicSpecies(36, "Kr", Dict{}(78 => 77.92036494*u"amu", 79 => 78.9200829*u"amu", 81 => 80.9165912*u"amu", 72 => 71.9420924*u"amu", 75 => 74.9309457*u"amu", 83 => 82.91412716*u"amu", 92 => 91.9261731*u"amu", -1 => 83.7979999953261*u"amu", 69 => 68.96518*u"amu", 99 => 98.95839*u"amu", 98 => 97.95243*u"amu", 73 => 72.9392892*u"amu", 82 => 81.91348273*u"amu", 85 => 84.9125273*u"amu", 74 => 73.933084*u"amu", 89 => 88.9178355*u"amu", 80 => 79.91637808*u"amu", 96 => 95.943017*u"amu", 84 => 83.9114977282*u"amu", 77 => 76.92467*u"amu", 94 => 93.93414*u"amu", 95 => 94.939711*u"amu", 71 => 70.95027*u"amu", 90 => 89.9195279*u"amu", 76 => 75.9259103*u"amu", 70 => 69.95604*u"amu", 93 => 92.9311472*u"amu", 86 => 85.9106106269*u"amu", 97 => 96.94909*u"amu", 88 => 87.9144479*u"amu", 91 => 90.9238063*u"amu", 87 => 86.91335476*u"amu", 100 => 99.96237*u"amu", 101 => 100.96873*u"amu", )), + +"Rb" => AtomicSpecies(37, "Rb", Dict{}(78 => 77.9281419*u"amu", 79 => 78.9239899*u"amu", 81 => 80.9189939*u"amu", 72 => 71.95908*u"amu", 75 => 74.9385732*u"amu", 83 => 82.9151142*u"amu", 92 => 91.9197284*u"amu", -1 => 85.46766359561973*u"amu", 99 => 98.94503*u"amu", 98 => 97.9416869*u"amu", 73 => 72.95053*u"amu", 82 => 81.918209*u"amu", 85 => 84.9117897379*u"amu", 74 => 73.9442659*u"amu", 89 => 88.9122783*u"amu", 80 => 79.9225164*u"amu", 96 => 95.9341334*u"amu", 84 => 83.9143752*u"amu", 77 => 76.9304016*u"amu", 94 => 93.9263948*u"amu", 95 => 94.92926*u"amu", 71 => 70.96532*u"amu", 90 => 89.9147985*u"amu", 76 => 75.935073*u"amu", 102 => 101.95952*u"amu", 103 => 102.96392*u"amu", 93 => 92.9220393*u"amu", 86 => 85.91116743*u"amu", 97 => 96.9371771*u"amu", 88 => 87.91131559*u"amu", 91 => 90.9165372*u"amu", 87 => 86.909180531*u"amu", 100 => 99.95003*u"amu", 101 => 100.95404*u"amu", )), + +"Sr" => AtomicSpecies(38, "Sr", Dict{}(78 => 77.93218*u"amu", 79 => 78.9297077*u"amu", 81 => 80.9232114*u"amu", 105 => 104.95855*u"amu", 75 => 74.94995*u"amu", 83 => 82.9175544*u"amu", 92 => 91.9110382*u"amu", -1 => 87.61664446962*u"amu", 99 => 98.9328907*u"amu", 98 => 97.9286888*u"amu", 73 => 72.9657*u"amu", 82 => 81.9183999*u"amu", 85 => 84.912932*u"amu", 74 => 73.95617*u"amu", 89 => 88.9074511*u"amu", 80 => 79.9245175*u"amu", 106 => 105.96265*u"amu", 96 => 95.9217066*u"amu", 84 => 83.9134191*u"amu", 77 => 76.9379455*u"amu", 94 => 93.9153556*u"amu", 95 => 94.9193529*u"amu", 107 => 106.96897*u"amu", 90 => 89.90773*u"amu", 76 => 75.941763*u"amu", 102 => 101.943791*u"amu", 103 => 102.94909*u"amu", 93 => 92.9140242*u"amu", 86 => 85.9092606*u"amu", 97 => 96.926374*u"amu", 88 => 87.9056125*u"amu", 104 => 103.95265*u"amu", 91 => 90.9101954*u"amu", 87 => 86.9088775*u"amu", 100 => 99.93577*u"amu", 101 => 100.940352*u"amu", )), + +"Y" => AtomicSpecies(39, "Y", Dict{}(78 => 77.94361*u"amu", 79 => 78.93735*u"amu", 81 => 80.9294556*u"amu", 105 => 104.94544*u"amu", 83 => 82.922485*u"amu", 92 => 91.9089451*u"amu", -1 => 88.9058403*u"amu", 99 => 98.924148*u"amu", 98 => 97.9223821*u"amu", 82 => 81.9269314*u"amu", 85 => 84.916433*u"amu", 89 => 88.9058403*u"amu", 80 => 79.9343561*u"amu", 106 => 105.95056*u"amu", 96 => 95.9158968*u"amu", 84 => 83.9206721*u"amu", 109 => 108.96436*u"amu", 77 => 76.949781*u"amu", 94 => 93.9115906*u"amu", 95 => 94.9128161*u"amu", 107 => 106.95452*u"amu", 90 => 89.9071439*u"amu", 108 => 107.95996*u"amu", 76 => 75.95856*u"amu", 102 => 101.9343277*u"amu", 103 => 102.937243*u"amu", 93 => 92.909578*u"amu", 86 => 85.914886*u"amu", 97 => 96.9182741*u"amu", 88 => 87.9095016*u"amu", 104 => 103.94196*u"amu", 91 => 90.9072974*u"amu", 87 => 86.9108761*u"amu", 100 => 99.927715*u"amu", 101 => 100.9301477*u"amu", )), + +"Zr" => AtomicSpecies(40, "Zr", Dict{}(78 => 77.95566*u"amu", 79 => 78.94948*u"amu", 81 => 80.93731*u"amu", 105 => 104.934008*u"amu", 110 => 109.95396*u"amu", 111 => 110.95968*u"amu", 83 => 82.9292421*u"amu", 92 => 91.9050347*u"amu", -1 => 91.22364159706*u"amu", 99 => 98.916667*u"amu", 98 => 97.9127289*u"amu", 82 => 81.93135*u"amu", 85 => 84.9214444*u"amu", 89 => 88.9088814*u"amu", 80 => 79.9404*u"amu", 106 => 105.93676*u"amu", 96 => 95.9082714*u"amu", 84 => 83.9233269*u"amu", 109 => 108.95041*u"amu", 94 => 93.9063108*u"amu", 95 => 94.9080385*u"amu", 112 => 111.9637*u"amu", 107 => 106.94174*u"amu", 90 => 89.9046977*u"amu", 108 => 107.94487*u"amu", 103 => 102.927191*u"amu", 102 => 101.9231409*u"amu", 93 => 92.9064699*u"amu", 86 => 85.9162972*u"amu", 97 => 96.9109512*u"amu", 88 => 87.9102213*u"amu", 104 => 103.929436*u"amu", 91 => 90.9056396*u"amu", 87 => 86.914818*u"amu", 100 => 99.9180006*u"amu", 101 => 100.921448*u"amu", )), + +"Nb" => AtomicSpecies(41, "Nb", Dict{}(114 => 113.96201*u"amu", 81 => 80.9496*u"amu", 105 => 104.9249465*u"amu", 110 => 109.94403*u"amu", 111 => 110.94753*u"amu", 83 => 82.93729*u"amu", 92 => 91.9071881*u"amu", -1 => 92.906373*u"amu", 99 => 98.911613*u"amu", 98 => 97.9103265*u"amu", 82 => 81.94396*u"amu", 85 => 84.9288458*u"amu", 89 => 88.913445*u"amu", 115 => 114.96634*u"amu", 106 => 105.9289317*u"amu", 96 => 95.9080973*u"amu", 84 => 83.93449*u"amu", 109 => 108.93922*u"amu", 94 => 93.9072788*u"amu", 95 => 94.9068324*u"amu", 112 => 111.95247*u"amu", 107 => 106.9315937*u"amu", 90 => 89.9112584*u"amu", 108 => 107.9360748*u"amu", 103 => 102.9194572*u"amu", 102 => 101.9180772*u"amu", 93 => 92.906373*u"amu", 113 => 112.95651*u"amu", 86 => 85.9257828*u"amu", 97 => 96.9080959*u"amu", 88 => 87.918222*u"amu", 104 => 103.9228925*u"amu", 91 => 90.9069897*u"amu", 87 => 86.9206937*u"amu", 100 => 99.9143276*u"amu", 101 => 100.9153103*u"amu", )), + +"Mo" => AtomicSpecies(42, "Mo", Dict{}(114 => 113.94653*u"amu", 105 => 104.916969*u"amu", 110 => 109.930704*u"amu", 111 => 110.935654*u"amu", 83 => 82.94988*u"amu", 92 => 91.90680796*u"amu", 117 => 116.96117*u"amu", -1 => 95.959788541188*u"amu", 99 => 98.90770851*u"amu", 98 => 97.90540482*u"amu", 85 => 84.938261*u"amu", 89 => 88.9194682*u"amu", 115 => 114.95196*u"amu", 106 => 105.918259*u"amu", 96 => 95.90467612*u"amu", 84 => 83.94149*u"amu", 109 => 108.928424*u"amu", 94 => 93.9050849*u"amu", 95 => 94.90583877*u"amu", 112 => 111.93831*u"amu", 107 => 106.922106*u"amu", 90 => 89.9139309*u"amu", 108 => 107.924033*u"amu", 103 => 102.913079*u"amu", 102 => 101.9102834*u"amu", 93 => 92.90680958*u"amu", 113 => 112.94335*u"amu", 86 => 85.9311748*u"amu", 97 => 96.90601812*u"amu", 88 => 87.9219678*u"amu", 104 => 103.9137344*u"amu", 91 => 90.9117453*u"amu", 87 => 86.9281962*u"amu", 116 => 115.95545*u"amu", 100 => 99.9074718*u"amu", 101 => 100.9103414*u"amu", )), + +"Tc" => AtomicSpecies(43, "Tc", Dict{}(114 => 113.93691*u"amu", 105 => 104.911655*u"amu", 110 => 109.923744*u"amu", 111 => 110.925901*u"amu", 92 => 91.9152698*u"amu", 117 => 116.94806*u"amu", -1 => 0*u"amu", 99 => 98.9062508*u"amu", 98 => 97.9072124*u"amu", 85 => 84.95058*u"amu", 89 => 88.9276487*u"amu", 115 => 114.93998*u"amu", 118 => 117.95299*u"amu", 106 => 105.914358*u"amu", 96 => 95.907868*u"amu", 109 => 108.920256*u"amu", 112 => 111.9299458*u"amu", 94 => 93.9096536*u"amu", 95 => 94.9076536*u"amu", 119 => 118.95666*u"amu", 107 => 106.9154606*u"amu", 90 => 89.9240739*u"amu", 108 => 107.9184957*u"amu", 103 => 102.909176*u"amu", 102 => 101.9092097*u"amu", 93 => 92.910246*u"amu", 113 => 112.932569*u"amu", 86 => 85.94493*u"amu", 97 => 96.9063667*u"amu", 88 => 87.93378*u"amu", 104 => 103.911425*u"amu", 91 => 90.9184254*u"amu", 87 => 86.9380672*u"amu", 120 => 119.96187*u"amu", 116 => 115.94476*u"amu", 100 => 99.9076539*u"amu", 101 => 100.907309*u"amu", )), + +"Ru" => AtomicSpecies(44, "Ru", Dict{}(114 => 113.9246136*u"amu", 122 => 121.95447*u"amu", 105 => 104.9077476*u"amu", 110 => 109.9140407*u"amu", 123 => 122.95989*u"amu", 111 => 110.91757*u"amu", 92 => 91.9202344*u"amu", 117 => 116.9361*u"amu", -1 => 101.06494013916*u"amu", 99 => 98.9059341*u"amu", 98 => 97.9052868*u"amu", 121 => 120.95164*u"amu", 89 => 88.93762*u"amu", 115 => 114.92882*u"amu", 118 => 117.93853*u"amu", 106 => 105.9073291*u"amu", 96 => 95.90759025*u"amu", 109 => 108.913326*u"amu", 112 => 111.918809*u"amu", 94 => 93.9113429*u"amu", 95 => 94.910406*u"amu", 119 => 118.94357*u"amu", 107 => 106.909972*u"amu", 90 => 89.9303444*u"amu", 108 => 107.910188*u"amu", 103 => 102.9063186*u"amu", 102 => 101.9043441*u"amu", 93 => 92.9171044*u"amu", 113 => 112.922844*u"amu", 124 => 123.96305*u"amu", 97 => 96.9075471*u"amu", 88 => 87.9416*u"amu", 104 => 103.9054275*u"amu", 91 => 90.9267419*u"amu", 87 => 86.95069*u"amu", 120 => 119.94631*u"amu", 116 => 115.9312192*u"amu", 100 => 99.9042143*u"amu", 101 => 100.9055769*u"amu", )), + +"Rh" => AtomicSpecies(45, "Rh", Dict{}(114 => 113.918718*u"amu", 122 => 121.94399*u"amu", 105 => 104.9056885*u"amu", 110 => 109.911079*u"amu", 123 => 122.94685*u"amu", 111 => 110.9116423*u"amu", 92 => 91.9323677*u"amu", 117 => 116.9260354*u"amu", -1 => 102.905498*u"amu", 99 => 98.9081282*u"amu", 98 => 97.910708*u"amu", 121 => 120.93942*u"amu", 89 => 88.95058*u"amu", 115 => 114.9203116*u"amu", 118 => 117.93034*u"amu", 106 => 105.9072868*u"amu", 96 => 95.914453*u"amu", 109 => 108.9087488*u"amu", 112 => 111.914403*u"amu", 94 => 93.9217305*u"amu", 95 => 94.9158979*u"amu", 119 => 118.932557*u"amu", 125 => 124.95469*u"amu", 126 => 125.95946*u"amu", 107 => 106.906748*u"amu", 90 => 89.94422*u"amu", 108 => 107.908714*u"amu", 103 => 102.905498*u"amu", 102 => 101.9068374*u"amu", 93 => 92.9259128*u"amu", 113 => 112.9154393*u"amu", 124 => 123.95151*u"amu", 97 => 96.911329*u"amu", 104 => 103.9066492*u"amu", 91 => 90.93688*u"amu", 120 => 119.93686*u"amu", 116 => 115.924059*u"amu", 100 => 99.908117*u"amu", 101 => 100.9061606*u"amu", )), + +"Pd" => AtomicSpecies(46, "Pd", Dict{}(114 => 113.9103686*u"amu", 122 => 121.930632*u"amu", 105 => 104.9050796*u"amu", 110 => 109.9051722*u"amu", 123 => 122.93514*u"amu", 111 => 110.90768968*u"amu", 92 => 91.94088*u"amu", 117 => 116.9179547*u"amu", -1 => 106.41532750734*u"amu", 99 => 98.9117748*u"amu", 98 => 97.9126983*u"amu", 121 => 120.9289503*u"amu", 115 => 114.913659*u"amu", 118 => 117.9190667*u"amu", 106 => 105.9034804*u"amu", 96 => 95.9182151*u"amu", 109 => 108.9059504*u"amu", 112 => 111.9073297*u"amu", 94 => 93.9290376*u"amu", 95 => 94.9248898*u"amu", 119 => 118.9233402*u"amu", 125 => 124.94179*u"amu", 126 => 125.94416*u"amu", 107 => 106.9051282*u"amu", 108 => 107.9038916*u"amu", 103 => 102.9060809*u"amu", 102 => 101.9056022*u"amu", 128 => 127.95183*u"amu", 93 => 92.93651*u"amu", 113 => 112.910261*u"amu", 124 => 123.93714*u"amu", 97 => 96.916472*u"amu", 104 => 103.9040305*u"amu", 91 => 90.95032*u"amu", 120 => 119.9245511*u"amu", 127 => 126.94907*u"amu", 116 => 115.914297*u"amu", 100 => 99.908505*u"amu", 101 => 100.9082864*u"amu", )), + +"Ag" => AtomicSpecies(47, "Ag", Dict{}(114 => 113.908823*u"amu", 122 => 121.923664*u"amu", 105 => 104.9065256*u"amu", 110 => 109.9061102*u"amu", 123 => 122.925337*u"amu", 111 => 110.9052959*u"amu", 117 => 116.911774*u"amu", -1 => 107.868149634557*u"amu", 99 => 98.9176458*u"amu", 98 => 97.92156*u"amu", 121 => 120.920125*u"amu", 115 => 114.908767*u"amu", 118 => 117.9145955*u"amu", 106 => 105.9066636*u"amu", 96 => 95.930744*u"amu", 109 => 108.9047553*u"amu", 112 => 111.9070486*u"amu", 94 => 93.94373*u"amu", 95 => 94.93602*u"amu", 119 => 118.91557*u"amu", 125 => 124.93105*u"amu", 126 => 125.93475*u"amu", 107 => 106.9050916*u"amu", 108 => 107.9059503*u"amu", 130 => 129.9507*u"amu", 103 => 102.9089631*u"amu", 102 => 101.9117047*u"amu", 128 => 127.94106*u"amu", 93 => 92.95033*u"amu", 113 => 112.906573*u"amu", 124 => 123.92893*u"amu", 97 => 96.92397*u"amu", 129 => 128.94395*u"amu", 104 => 103.9086239*u"amu", 120 => 119.9187848*u"amu", 127 => 126.93711*u"amu", 116 => 115.9113868*u"amu", 100 => 99.9161154*u"amu", 101 => 100.912684*u"amu", )), + +"Cd" => AtomicSpecies(48, "Cd", Dict{}(132 => 131.94604*u"amu", 114 => 113.90336509*u"amu", 122 => 121.9134591*u"amu", 105 => 104.9094639*u"amu", 110 => 109.90300661*u"amu", 123 => 122.9168925*u"amu", 133 => 132.95285*u"amu", 111 => 110.90418287*u"amu", 117 => 116.907226*u"amu", -1 => 112.411557818268*u"amu", 99 => 98.9249258*u"amu", 98 => 97.927389*u"amu", 121 => 120.9129637*u"amu", 115 => 114.90543751*u"amu", 118 => 117.906922*u"amu", 106 => 105.9064599*u"amu", 96 => 95.94034*u"amu", 109 => 108.9049867*u"amu", 112 => 111.90276287*u"amu", 119 => 118.909847*u"amu", 95 => 94.94994*u"amu", 125 => 124.9212576*u"amu", 130 => 129.93394*u"amu", 126 => 125.9224291*u"amu", 107 => 106.9066121*u"amu", 108 => 107.9041834*u"amu", 103 => 102.9134165*u"amu", 102 => 101.914482*u"amu", 128 => 127.9278129*u"amu", 113 => 112.90440813*u"amu", 124 => 123.9176574*u"amu", 97 => 96.9351*u"amu", 129 => 128.93182*u"amu", 104 => 103.9098564*u"amu", 131 => 130.9406*u"amu", 120 => 119.9098681*u"amu", 127 => 126.926472*u"amu", 116 => 115.90476315*u"amu", 100 => 99.9203488*u"amu", 101 => 100.9185862*u"amu", )), + +"In" => AtomicSpecies(49, "In", Dict{}(132 => 131.933001*u"amu", 134 => 133.94454*u"amu", 114 => 113.90491791*u"amu", 122 => 121.910281*u"amu", 105 => 104.914502*u"amu", 110 => 109.90717*u"amu", 123 => 122.910434*u"amu", 133 => 132.93831*u"amu", 111 => 110.9051085*u"amu", 117 => 116.9045157*u"amu", -1 => 114.81808662944559*u"amu", 135 => 134.95005*u"amu", 99 => 98.93411*u"amu", 98 => 97.94214*u"amu", 121 => 120.907851*u"amu", 115 => 114.903878776*u"amu", 118 => 117.9063566*u"amu", 106 => 105.913464*u"amu", 109 => 108.9071514*u"amu", 112 => 111.9055377*u"amu", 119 => 118.9058507*u"amu", 125 => 124.913605*u"amu", 130 => 129.924977*u"amu", 126 => 125.916507*u"amu", 107 => 106.91029*u"amu", 108 => 107.9096935*u"amu", 103 => 102.9198819*u"amu", 102 => 101.9241071*u"amu", 128 => 127.9204*u"amu", 113 => 112.90406184*u"amu", 124 => 123.913182*u"amu", 97 => 96.94934*u"amu", 129 => 128.9218053*u"amu", 104 => 103.9182145*u"amu", 131 => 130.9269715*u"amu", 120 => 119.907967*u"amu", 127 => 126.917446*u"amu", 116 => 115.90525999*u"amu", 100 => 99.93096*u"amu", 101 => 100.92634*u"amu", )), + +"Sn" => AtomicSpecies(50, "Sn", Dict{}(132 => 131.9178267*u"amu", 134 => 133.9286821*u"amu", 114 => 113.9027827*u"amu", 122 => 121.9034438*u"amu", 105 => 104.9212684*u"amu", 110 => 109.907845*u"amu", 123 => 122.9057252*u"amu", 133 => 132.9239134*u"amu", 111 => 110.9077401*u"amu", 137 => 136.94655*u"amu", 136 => 135.93999*u"amu", 117 => 116.90295398*u"amu", -1 => 118.71011259301059*u"amu", 135 => 134.9349086*u"amu", 99 => 98.94853*u"amu", 121 => 120.9042426*u"amu", 115 => 114.903344699*u"amu", 118 => 117.90160657*u"amu", 106 => 105.9169574*u"amu", 109 => 108.9112921*u"amu", 112 => 111.90482387*u"amu", 119 => 118.90331117*u"amu", 125 => 124.9077864*u"amu", 130 => 129.9139738*u"amu", 138 => 137.95184*u"amu", 126 => 125.907659*u"amu", 107 => 106.9157137*u"amu", 108 => 107.9118943*u"amu", 103 => 102.928105*u"amu", 102 => 101.93029*u"amu", 128 => 127.910507*u"amu", 113 => 112.9051757*u"amu", 124 => 123.9052766*u"amu", 129 => 128.913465*u"amu", 104 => 103.9231052*u"amu", 131 => 130.917045*u"amu", 120 => 119.90220163*u"amu", 127 => 126.91039*u"amu", 116 => 115.9017428*u"amu", 100 => 99.9385*u"amu", 101 => 100.93526*u"amu", )), + +"Sb" => AtomicSpecies(51, "Sb", Dict{}(140 => 139.95283*u"amu", 114 => 113.90929*u"amu", 122 => 121.9051699*u"amu", 105 => 104.931276*u"amu", 110 => 109.9168543*u"amu", 123 => 122.9042132*u"amu", 133 => 132.9152732*u"amu", 111 => 110.9132182*u"amu", 137 => 136.93555*u"amu", 136 => 135.9307459*u"amu", 117 => 116.9048415*u"amu", -1 => 121.75978367348*u"amu", 135 => 134.9251851*u"amu", 121 => 120.903812*u"amu", 115 => 114.906598*u"amu", 118 => 117.9055321*u"amu", 112 => 111.9124*u"amu", 106 => 105.928638*u"amu", 109 => 108.9181411*u"amu", 119 => 118.9039455*u"amu", 125 => 124.905253*u"amu", 130 => 129.911662*u"amu", 138 => 137.94145*u"amu", 126 => 125.907253*u"amu", 107 => 106.9241506*u"amu", 108 => 107.9222267*u"amu", 139 => 138.94655*u"amu", 103 => 102.93969*u"amu", 128 => 127.909146*u"amu", 113 => 112.909375*u"amu", 124 => 123.905935*u"amu", 129 => 128.909147*u"amu", 104 => 103.93648*u"amu", 131 => 130.9119888*u"amu", 120 => 119.9050794*u"amu", 127 => 126.9069243*u"amu", 116 => 115.9067931*u"amu", 132 => 131.9145077*u"amu", 134 => 133.9205357*u"amu", )), + +"Te" => AtomicSpecies(52, "Te", Dict{}(140 => 139.939499*u"amu", 142 => 141.95022*u"amu", 114 => 113.912089*u"amu", 122 => 121.9030435*u"amu", 105 => 104.9433*u"amu", 110 => 109.9224581*u"amu", 123 => 122.9042698*u"amu", 133 => 132.9109688*u"amu", 141 => 140.9458*u"amu", 111 => 110.9210006*u"amu", 137 => 136.9255989*u"amu", 136 => 135.9201006*u"amu", 117 => 116.908646*u"amu", -1 => 127.6031264846604*u"amu", 135 => 134.9165557*u"amu", 121 => 120.904944*u"amu", 115 => 114.911902*u"amu", 118 => 117.905854*u"amu", 112 => 111.9167279*u"amu", 106 => 105.9375*u"amu", 109 => 108.9273045*u"amu", 119 => 118.9064071*u"amu", 125 => 124.9044299*u"amu", 130 => 129.906222748*u"amu", 138 => 137.9294722*u"amu", 126 => 125.9033109*u"amu", 107 => 106.935012*u"amu", 108 => 107.9293805*u"amu", 139 => 138.9353672*u"amu", 143 => 142.95676*u"amu", 128 => 127.90446128*u"amu", 113 => 112.915891*u"amu", 124 => 123.9028171*u"amu", 129 => 128.90659646*u"amu", 131 => 130.908522213*u"amu", 120 => 119.9040593*u"amu", 127 => 126.9052257*u"amu", 116 => 115.90846*u"amu", 132 => 131.9085467*u"amu", 134 => 133.911394*u"amu", )), + +"I" => AtomicSpecies(53, "I", Dict{}(140 => 139.93173*u"amu", 142 => 141.9412*u"amu", 114 => 113.92185*u"amu", 122 => 121.9075888*u"amu", 110 => 109.935089*u"amu", 123 => 122.9055885*u"amu", 133 => 132.907797*u"amu", 144 => 143.95139*u"amu", 141 => 140.93569*u"amu", 111 => 110.9302692*u"amu", 137 => 136.9180282*u"amu", 136 => 135.914604*u"amu", 117 => 116.913648*u"amu", -1 => 126.9044719*u"amu", 135 => 134.9100488*u"amu", 145 => 144.95605*u"amu", 121 => 120.9074051*u"amu", 115 => 114.918048*u"amu", 118 => 117.913074*u"amu", 112 => 111.928005*u"amu", 109 => 108.9380853*u"amu", 119 => 118.910074*u"amu", 125 => 124.9046294*u"amu", 130 => 129.9066702*u"amu", 138 => 137.9227264*u"amu", 126 => 125.9056233*u"amu", 107 => 106.94678*u"amu", 108 => 107.94348*u"amu", 139 => 138.926506*u"amu", 143 => 142.94565*u"amu", 128 => 127.9058086*u"amu", 113 => 112.9236501*u"amu", 124 => 123.906209*u"amu", 129 => 128.9049837*u"amu", 131 => 130.9061263*u"amu", 120 => 119.910087*u"amu", 127 => 126.9044719*u"amu", 116 => 115.91681*u"amu", 132 => 131.9079935*u"amu", 134 => 133.9097588*u"amu", )), + +"Xe" => AtomicSpecies(54, "Xe", Dict{}(140 => 139.9216458*u"amu", 142 => 141.9299731*u"amu", 114 => 113.92798*u"amu", 122 => 121.908368*u"amu", 110 => 109.94426*u"amu", 123 => 122.908482*u"amu", 133 => 132.9059108*u"amu", 144 => 143.9389451*u"amu", 141 => 140.9267872*u"amu", 111 => 110.941607*u"amu", 137 => 136.91155778*u"amu", 148 => 147.95813*u"amu", 136 => 135.907214484*u"amu", 117 => 116.920359*u"amu", -1 => 131.29276144779053*u"amu", 135 => 134.9072278*u"amu", 145 => 144.94472*u"amu", 121 => 120.911453*u"amu", 146 => 145.948518*u"amu", 118 => 117.916179*u"amu", 115 => 114.926294*u"amu", 112 => 111.935559*u"amu", 109 => 108.95043*u"amu", 119 => 118.915411*u"amu", 125 => 124.9063944*u"amu", 130 => 129.903509349*u"amu", 138 => 137.9141463*u"amu", 126 => 125.9042983*u"amu", 139 => 138.9187922*u"amu", 143 => 142.9353696*u"amu", 128 => 127.903531*u"amu", 113 => 112.9332217*u"amu", 124 => 123.905892*u"amu", 129 => 128.9047808611*u"amu", 147 => 146.95426*u"amu", 131 => 130.90508406*u"amu", 120 => 119.911784*u"amu", 127 => 126.9051829*u"amu", 116 => 115.921581*u"amu", 132 => 131.9041550856*u"amu", 134 => 133.90539466*u"amu", )), + +"Cs" => AtomicSpecies(55, "Cs", Dict{}(140 => 139.9172831*u"amu", 142 => 141.924296*u"amu", 114 => 113.941296*u"amu", 122 => 121.916108*u"amu", 123 => 122.912996*u"amu", 133 => 132.905451961*u"amu", 144 => 143.932076*u"amu", 150 => 149.95833*u"amu", 141 => 140.9200455*u"amu", 137 => 136.90708923*u"amu", 148 => 147.94923*u"amu", 136 => 135.9073114*u"amu", 117 => 116.928617*u"amu", -1 => 132.905451961*u"amu", 135 => 134.905977*u"amu", 145 => 144.935527*u"amu", 121 => 120.917227*u"amu", 146 => 145.940344*u"amu", 115 => 114.93591*u"amu", 119 => 118.922377*u"amu", 112 => 111.950309*u"amu", 118 => 117.92656*u"amu", 125 => 124.909728*u"amu", 130 => 129.9067093*u"amu", 138 => 137.9110171*u"amu", 126 => 125.909446*u"amu", 149 => 148.95302*u"amu", 151 => 150.96258*u"amu", 139 => 138.9133638*u"amu", 143 => 142.927349*u"amu", 128 => 127.9077487*u"amu", 113 => 112.9444291*u"amu", 124 => 123.9122578*u"amu", 129 => 128.9060657*u"amu", 147 => 146.944156*u"amu", 131 => 130.9054649*u"amu", 120 => 119.920677*u"amu", 127 => 126.9074174*u"amu", 116 => 115.93337*u"amu", 132 => 131.9064339*u"amu", 134 => 133.906718503*u"amu", )), + +"Ba" => AtomicSpecies(56, "Ba", Dict{}(140 => 139.9106057*u"amu", 142 => 141.9164324*u"amu", 114 => 113.95066*u"amu", 122 => 121.919904*u"amu", 123 => 122.918781*u"amu", 133 => 132.9060074*u"amu", 144 => 143.9229549*u"amu", 150 => 149.94605*u"amu", 141 => 140.9144033*u"amu", 137 => 136.90582714*u"amu", 148 => 147.938171*u"amu", 136 => 135.90457573*u"amu", 117 => 116.93814*u"amu", -1 => 137.3268916286322*u"amu", 135 => 134.90568838*u"amu", 145 => 144.9275184*u"amu", 121 => 120.92405*u"amu", 146 => 145.930284*u"amu", 115 => 114.94737*u"amu", 118 => 117.93306*u"amu", 119 => 118.93066*u"amu", 125 => 124.914472*u"amu", 130 => 129.9063207*u"amu", 138 => 137.905247*u"amu", 153 => 152.96036*u"amu", 126 => 125.91125*u"amu", 149 => 148.94308*u"amu", 151 => 150.95127*u"amu", 139 => 138.9088411*u"amu", 143 => 142.9206253*u"amu", 128 => 127.908342*u"amu", 152 => 151.95481*u"amu", 124 => 123.915094*u"amu", 129 => 128.908681*u"amu", 147 => 146.935304*u"amu", 131 => 130.906941*u"amu", 120 => 119.92605*u"amu", 127 => 126.911091*u"amu", 116 => 115.94128*u"amu", 132 => 131.9050611*u"amu", 134 => 133.90450818*u"amu", )), + +"La" => AtomicSpecies(57, "La", Dict{}(140 => 139.9094806*u"amu", 142 => 141.9140909*u"amu", 123 => 122.9263*u"amu", 122 => 121.93071*u"amu", 144 => 143.919646*u"amu", 133 => 132.908218*u"amu", 150 => 149.93947*u"amu", 141 => 140.910966*u"amu", 137 => 136.9064504*u"amu", 148 => 147.932679*u"amu", 154 => 153.95517*u"amu", 136 => 135.907635*u"amu", 117 => 116.94999*u"amu", -1 => 138.90546887371266*u"amu", 135 => 134.906984*u"amu", 145 => 144.921808*u"amu", 121 => 120.93315*u"amu", 146 => 145.925875*u"amu", 118 => 117.94673*u"amu", 119 => 118.94099*u"amu", 125 => 124.920816*u"amu", 130 => 129.912369*u"amu", 138 => 137.9071149*u"amu", 153 => 152.95036*u"amu", 126 => 125.919513*u"amu", 149 => 148.93535*u"amu", 151 => 150.94232*u"amu", 155 => 154.95901*u"amu", 139 => 138.9063563*u"amu", 143 => 142.9160795*u"amu", 128 => 127.915592*u"amu", 152 => 151.94682*u"amu", 124 => 123.924574*u"amu", 129 => 128.912694*u"amu", 147 => 146.928418*u"amu", 131 => 130.91007*u"amu", 120 => 119.93807*u"amu", 127 => 126.916375*u"amu", 116 => 115.9563*u"amu", 132 => 131.910119*u"amu", 134 => 133.908514*u"amu", )), + +"Ce" => AtomicSpecies(58, "Ce", Dict{}(142 => 141.9092504*u"amu", 144 => 143.9136529*u"amu", 123 => 122.93528*u"amu", 122 => 121.93787*u"amu", 150 => 149.930384*u"amu", 133 => 132.91152*u"amu", 157 => 156.95705*u"amu", 141 => 140.9082807*u"amu", 137 => 136.90776236*u"amu", 148 => 147.924424*u"amu", 154 => 153.9438*u"amu", 136 => 135.90712921*u"amu", -1 => 140.1157307378545*u"amu", 135 => 134.909161*u"amu", 145 => 144.917265*u"amu", 121 => 120.94335*u"amu", 146 => 145.918802*u"amu", 130 => 129.914736*u"amu", 119 => 118.95271*u"amu", 125 => 124.92844*u"amu", 138 => 137.905991*u"amu", 153 => 152.94093*u"amu", 126 => 125.923971*u"amu", 149 => 148.928427*u"amu", 151 => 150.934272*u"amu", 155 => 154.94855*u"amu", 139 => 138.9066551*u"amu", 143 => 142.9123921*u"amu", 128 => 127.918911*u"amu", 156 => 155.95183*u"amu", 152 => 151.9366*u"amu", 124 => 123.93031*u"amu", 129 => 128.918102*u"amu", 147 => 146.9226899*u"amu", 131 => 130.914429*u"amu", 120 => 119.94654*u"amu", 127 => 126.922727*u"amu", 132 => 131.911464*u"amu", 134 => 133.908928*u"amu", 140 => 139.9054431*u"amu", )), + +"Pr" => AtomicSpecies(59, "Pr", Dict{}(142 => 141.9100496*u"amu", 150 => 149.9266765*u"amu", 123 => 122.94596*u"amu", 122 => 121.95175*u"amu", 157 => 156.94789*u"amu", 133 => 132.916331*u"amu", 158 => 157.95241*u"amu", 141 => 140.9076576*u"amu", 137 => 136.9106792*u"amu", 148 => 147.92213*u"amu", 154 => 153.93753*u"amu", 136 => 135.912677*u"amu", -1 => 140.9076576*u"amu", 135 => 134.913112*u"amu", 145 => 144.9145182*u"amu", 121 => 120.95532*u"amu", 146 => 145.91768*u"amu", 130 => 129.92359*u"amu", 125 => 124.9377*u"amu", 138 => 137.910754*u"amu", 153 => 152.933904*u"amu", 126 => 125.93524*u"amu", 149 => 148.923736*u"amu", 151 => 150.928309*u"amu", 155 => 154.940509*u"amu", 139 => 138.9089408*u"amu", 143 => 142.9108228*u"amu", 128 => 127.928791*u"amu", 156 => 155.94464*u"amu", 159 => 158.95589*u"amu", 152 => 151.931553*u"amu", 124 => 123.94294*u"amu", 129 => 128.925095*u"amu", 147 => 146.919008*u"amu", 131 => 130.920235*u"amu", 144 => 143.9133109*u"amu", 127 => 126.93071*u"amu", 132 => 131.919255*u"amu", 134 => 133.915697*u"amu", 140 => 139.9090803*u"amu", )), + +"Nd" => AtomicSpecies(60, "Nd", Dict{}(142 => 141.907729*u"amu", 150 => 149.9209022*u"amu", 157 => 156.939386*u"amu", 158 => 157.94197*u"amu", 133 => 132.922348*u"amu", 141 => 140.9096147*u"amu", 137 => 136.914562*u"amu", 148 => 147.9168993*u"amu", 154 => 153.92948*u"amu", 160 => 159.9494*u"amu", 136 => 135.914976*u"amu", -1 => 144.241596031827*u"amu", 135 => 134.918181*u"amu", 145 => 144.9125793*u"amu", 146 => 145.9131226*u"amu", 130 => 129.928506*u"amu", 125 => 124.9489*u"amu", 138 => 137.91195*u"amu", 153 => 152.927718*u"amu", 161 => 160.95428*u"amu", 126 => 125.94311*u"amu", 149 => 148.9201548*u"amu", 151 => 150.9238403*u"amu", 155 => 154.9331357*u"amu", 139 => 138.911954*u"amu", 143 => 142.90982*u"amu", 128 => 127.93525*u"amu", 156 => 155.93508*u"amu", 159 => 158.94653*u"amu", 152 => 151.924692*u"amu", 124 => 123.9522*u"amu", 129 => 128.9331*u"amu", 147 => 146.9161061*u"amu", 131 => 130.927248*u"amu", 144 => 143.910093*u"amu", 132 => 131.923321*u"amu", 127 => 126.94038*u"amu", 134 => 133.91879*u"amu", 140 => 139.90955*u"amu", )), + +"Pm" => AtomicSpecies(61, "Pm", Dict{}(142 => 141.91289*u"amu", 150 => 149.920991*u"amu", 157 => 156.9331214*u"amu", 158 => 157.936565*u"amu", 133 => 132.929782*u"amu", 141 => 140.913555*u"amu", 137 => 136.92048*u"amu", 148 => 147.9174819*u"amu", 154 => 153.926472*u"amu", 160 => 159.9431*u"amu", 136 => 135.923585*u"amu", -1 => 0*u"amu", 135 => 134.924823*u"amu", 145 => 144.9127559*u"amu", 146 => 145.9147024*u"amu", 130 => 129.94053*u"amu", 138 => 137.919548*u"amu", 153 => 152.9241567*u"amu", 162 => 161.95022*u"amu", 161 => 160.94607*u"amu", 126 => 125.95792*u"amu", 149 => 148.9183423*u"amu", 151 => 150.9212175*u"amu", 155 => 154.928137*u"amu", 139 => 138.9168*u"amu", 143 => 142.9109383*u"amu", 128 => 127.9487*u"amu", 156 => 155.9311175*u"amu", 159 => 158.939287*u"amu", 152 => 151.923506*u"amu", 129 => 128.94323*u"amu", 163 => 162.95357*u"amu", 147 => 146.915145*u"amu", 131 => 130.93567*u"amu", 144 => 143.9125964*u"amu", 127 => 126.95192*u"amu", 132 => 131.93384*u"amu", 134 => 133.928353*u"amu", 140 => 139.91604*u"amu", )), + +"Sm" => AtomicSpecies(62, "Sm", Dict{}(150 => 149.9172829*u"amu", 157 => 156.9284187*u"amu", 158 => 157.929951*u"amu", 165 => 164.95297*u"amu", 133 => 132.93856*u"amu", 141 => 140.9184816*u"amu", 137 => 136.926971*u"amu", 148 => 147.9148292*u"amu", 154 => 153.9222169*u"amu", 160 => 159.9353353*u"amu", 136 => 135.928276*u"amu", -1 => 150.36635571193*u"amu", 135 => 134.93252*u"amu", 145 => 144.9134173*u"amu", 146 => 145.913047*u"amu", 164 => 163.94836*u"amu", 130 => 129.949*u"amu", 138 => 137.923244*u"amu", 153 => 152.9221047*u"amu", 162 => 161.94146*u"amu", 161 => 160.9391602*u"amu", 149 => 148.9171921*u"amu", 151 => 150.9199398*u"amu", 155 => 154.9246477*u"amu", 139 => 138.922297*u"amu", 143 => 142.9146353*u"amu", 128 => 127.95842*u"amu", 156 => 155.925536*u"amu", 159 => 158.9332172*u"amu", 152 => 151.9197397*u"amu", 129 => 128.95476*u"amu", 163 => 162.94555*u"amu", 147 => 146.9149044*u"amu", 131 => 130.94618*u"amu", 144 => 143.9120065*u"amu", 132 => 131.94087*u"amu", 140 => 139.918995*u"amu", 134 => 133.93411*u"amu", 142 => 141.9152044*u"amu", )), + +"Eu" => AtomicSpecies(63, "Eu", Dict{}(150 => 149.9197077*u"amu", 157 => 156.9254334*u"amu", 158 => 157.927799*u"amu", 165 => 164.94559*u"amu", 167 => 166.95289*u"amu", 133 => 132.94929*u"amu", 141 => 140.924932*u"amu", 137 => 136.93546*u"amu", 148 => 147.918089*u"amu", 154 => 153.922987*u"amu", 160 => 159.931851*u"amu", 136 => 135.93962*u"amu", -1 => 151.96437812637998*u"amu", 135 => 134.94187*u"amu", 145 => 144.9162726*u"amu", 146 => 145.917211*u"amu", 166 => 165.94962*u"amu", 164 => 163.94274*u"amu", 130 => 129.96369*u"amu", 138 => 137.933709*u"amu", 153 => 152.921238*u"amu", 162 => 161.936989*u"amu", 161 => 160.933664*u"amu", 149 => 148.9179378*u"amu", 151 => 150.9198578*u"amu", 155 => 154.9229011*u"amu", 139 => 138.929792*u"amu", 143 => 142.920299*u"amu", 156 => 155.9247605*u"amu", 159 => 158.9291001*u"amu", 152 => 151.9217522*u"amu", 163 => 162.939196*u"amu", 147 => 146.9167527*u"amu", 131 => 130.95784*u"amu", 144 => 143.91882*u"amu", 132 => 131.95467*u"amu", 140 => 139.928088*u"amu", 134 => 133.9464*u"amu", 142 => 141.923442*u"amu", )), + +"Gd" => AtomicSpecies(64, "Gd", Dict{}(157 => 156.9239686*u"amu", 158 => 157.9241123*u"amu", 167 => 166.94545*u"amu", 169 => 168.9526*u"amu", 133 => 132.96133*u"amu", 141 => 140.932126*u"amu", 137 => 136.94502*u"amu", 148 => 147.9181215*u"amu", 154 => 153.9208741*u"amu", 160 => 159.9270624*u"amu", 136 => 135.9473*u"amu", -1 => 157.25213064687998*u"amu", 135 => 134.95245*u"amu", 145 => 144.921713*u"amu", 146 => 145.9183188*u"amu", 166 => 165.94146*u"amu", 164 => 163.93583*u"amu", 153 => 152.921758*u"amu", 138 => 137.94025*u"amu", 162 => 161.930993*u"amu", 161 => 160.9296775*u"amu", 149 => 148.9193481*u"amu", 151 => 150.920356*u"amu", 155 => 154.9226305*u"amu", 139 => 138.93813*u"amu", 143 => 142.92675*u"amu", 156 => 155.9221312*u"amu", 159 => 158.926397*u"amu", 152 => 151.9197995*u"amu", 168 => 167.94808*u"amu", 163 => 162.9341769*u"amu", 147 => 146.9191014*u"amu", 165 => 164.93936*u"amu", 144 => 143.922963*u"amu", 142 => 141.928116*u"amu", 140 => 139.933674*u"amu", 134 => 133.95566*u"amu", 150 => 149.9186644*u"amu", )), + +"Tb" => AtomicSpecies(65, "Tb", Dict{}(158 => 157.9254209*u"amu", 167 => 166.93996*u"amu", 169 => 168.94597*u"amu", 141 => 140.94145*u"amu", 137 => 136.95602*u"amu", 148 => 147.924282*u"amu", 154 => 153.924685*u"amu", 160 => 159.9271756*u"amu", 136 => 135.96129*u"amu", 171 => 170.95273*u"amu", -1 => 158.9253547*u"amu", 135 => 134.96476*u"amu", 145 => 144.92882*u"amu", 146 => 145.927253*u"amu", 166 => 165.93786*u"amu", 164 => 163.93336*u"amu", 153 => 152.9234424*u"amu", 138 => 137.95312*u"amu", 162 => 161.929495*u"amu", 161 => 160.9275778*u"amu", 149 => 148.9232535*u"amu", 151 => 150.9231096*u"amu", 155 => 154.923511*u"amu", 139 => 138.94833*u"amu", 143 => 142.935137*u"amu", 156 => 155.9247552*u"amu", 159 => 158.9253547*u"amu", 152 => 151.924083*u"amu", 170 => 169.94984*u"amu", 168 => 167.9434*u"amu", 163 => 162.9306547*u"amu", 147 => 146.9240548*u"amu", 165 => 164.93498*u"amu", 144 => 143.933045*u"amu", 142 => 141.93928*u"amu", 140 => 139.94581*u"amu", 157 => 156.924033*u"amu", 150 => 149.9236649*u"amu", )), + +"Dy" => AtomicSpecies(66, "Dy", Dict{}(158 => 157.9244159*u"amu", 167 => 166.935661*u"amu", 169 => 168.94031*u"amu", 173 => 172.95283*u"amu", 141 => 140.95128*u"amu", 148 => 147.927157*u"amu", 160 => 159.9252046*u"amu", 154 => 153.9244293*u"amu", 171 => 170.94612*u"amu", -1 => 162.499472819424*u"amu", 145 => 144.937474*u"amu", 146 => 145.9328445*u"amu", 166 => 165.9328139*u"amu", 164 => 163.9291819*u"amu", 153 => 152.9257724*u"amu", 138 => 137.9625*u"amu", 162 => 161.9268056*u"amu", 161 => 160.9269405*u"amu", 149 => 148.927322*u"amu", 151 => 150.9261916*u"amu", 155 => 154.925759*u"amu", 139 => 138.95959*u"amu", 172 => 171.94846*u"amu", 143 => 142.943994*u"amu", 156 => 155.9242847*u"amu", 159 => 158.925747*u"amu", 152 => 151.9247253*u"amu", 170 => 169.94239*u"amu", 168 => 167.93713*u"amu", 163 => 162.9287383*u"amu", 147 => 146.9310827*u"amu", 165 => 164.9317105*u"amu", 144 => 143.9392695*u"amu", 142 => 141.94619*u"amu", 140 => 139.95402*u"amu", 157 => 156.9254707*u"amu", 150 => 149.9255933*u"amu", )), + +"Ho" => AtomicSpecies(67, "Ho", Dict{}(158 => 157.928946*u"amu", 167 => 166.9331385*u"amu", 169 => 168.936878*u"amu", 173 => 172.94702*u"amu", 141 => 140.96311*u"amu", 148 => 147.937744*u"amu", 160 => 159.928737*u"amu", 154 => 153.9306068*u"amu", 175 => 174.95362*u"amu", 171 => 170.94147*u"amu", -1 => 164.9303288*u"amu", 145 => 144.9472674*u"amu", 146 => 145.9449935*u"amu", 166 => 165.9322909*u"amu", 164 => 163.9302403*u"amu", 153 => 152.9302064*u"amu", 162 => 161.9291023*u"amu", 161 => 160.9278615*u"amu", 149 => 148.933803*u"amu", 151 => 150.9316983*u"amu", 155 => 154.929104*u"amu", 172 => 171.94473*u"amu", 143 => 142.95486*u"amu", 156 => 155.929706*u"amu", 159 => 158.9277197*u"amu", 152 => 151.931724*u"amu", 170 => 169.939625*u"amu", 168 => 167.935522*u"amu", 174 => 173.95095*u"amu", 163 => 162.928741*u"amu", 147 => 146.9401423*u"amu", 165 => 164.9303288*u"amu", 144 => 143.9521097*u"amu", 142 => 141.96001*u"amu", 140 => 139.96859*u"amu", 157 => 156.928254*u"amu", 150 => 149.933498*u"amu", )), + +"Er" => AtomicSpecies(68, "Er", Dict{}(158 => 157.929893*u"amu", 169 => 168.9345968*u"amu", 176 => 175.94994*u"amu", 177 => 176.95399*u"amu", 173 => 172.9424*u"amu", 148 => 147.944735*u"amu", 160 => 159.929077*u"amu", 154 => 153.9327908*u"amu", 175 => 174.94777*u"amu", 171 => 170.9380357*u"amu", -1 => 167.259082649669*u"amu", 145 => 144.95805*u"amu", 146 => 145.9524184*u"amu", 166 => 165.9302995*u"amu", 164 => 163.9292088*u"amu", 153 => 152.93508*u"amu", 162 => 161.9287884*u"amu", 161 => 160.9300046*u"amu", 149 => 148.942306*u"amu", 151 => 150.937449*u"amu", 155 => 154.9332159*u"amu", 172 => 171.9393619*u"amu", 143 => 142.96662*u"amu", 156 => 155.931067*u"amu", 159 => 158.9306918*u"amu", 152 => 151.935057*u"amu", 170 => 169.9354702*u"amu", 168 => 167.9323767*u"amu", 174 => 173.94423*u"amu", 163 => 162.9300408*u"amu", 147 => 146.949964*u"amu", 165 => 164.9307345*u"amu", 144 => 143.9607*u"amu", 142 => 141.9701*u"amu", 167 => 166.9320546*u"amu", 157 => 156.931949*u"amu", 150 => 149.937916*u"amu", )), + +"Tm" => AtomicSpecies(69, "Tm", Dict{}(158 => 157.93698*u"amu", 169 => 168.9342179*u"amu", 176 => 175.947*u"amu", 177 => 176.94904*u"amu", 179 => 178.95534*u"amu", 173 => 172.9396084*u"amu", 148 => 147.958384*u"amu", 160 => 159.935263*u"amu", 154 => 153.94157*u"amu", 175 => 174.943841*u"amu", 171 => 170.9364339*u"amu", -1 => 168.9342179*u"amu", 145 => 144.97039*u"amu", 146 => 145.96684*u"amu", 166 => 165.933561*u"amu", 164 => 163.933544*u"amu", 153 => 152.94204*u"amu", 178 => 177.95264*u"amu", 162 => 161.934002*u"amu", 161 => 160.933549*u"amu", 149 => 148.95289*u"amu", 151 => 150.945488*u"amu", 155 => 154.93921*u"amu", 172 => 171.9384055*u"amu", 156 => 155.938992*u"amu", 159 => 158.934975*u"amu", 152 => 151.944422*u"amu", 170 => 169.935806*u"amu", 168 => 167.9341774*u"amu", 174 => 173.942173*u"amu", 163 => 162.9326592*u"amu", 147 => 146.9613799*u"amu", 165 => 164.9324431*u"amu", 144 => 143.97628*u"amu", 167 => 166.9328562*u"amu", 157 => 156.936944*u"amu", 150 => 149.95009*u"amu", )), + +"Yb" => AtomicSpecies(70, "Yb", Dict{}(158 => 157.9398705*u"amu", 169 => 168.9351825*u"amu", 176 => 175.9425764*u"amu", 177 => 176.9452656*u"amu", 179 => 178.95004*u"amu", 180 => 179.95212*u"amu", 173 => 172.9382151*u"amu", 148 => 147.96758*u"amu", 160 => 159.937557*u"amu", 154 => 153.946396*u"amu", 175 => 174.9412808*u"amu", 171 => 170.9363302*u"amu", -1 => 173.05415016631702*u"amu", 166 => 165.9338747*u"amu", 164 => 163.934495*u"amu", 153 => 152.94932*u"amu", 178 => 177.946651*u"amu", 162 => 161.935774*u"amu", 161 => 160.937907*u"amu", 149 => 148.96436*u"amu", 151 => 150.9554*u"amu", 155 => 154.945783*u"amu", 172 => 171.9363859*u"amu", 181 => 180.95589*u"amu", 156 => 155.942825*u"amu", 159 => 158.940055*u"amu", 152 => 151.95027*u"amu", 170 => 169.9347664*u"amu", 168 => 167.9338896*u"amu", 174 => 173.9388664*u"amu", 163 => 162.93634*u"amu", 167 => 166.934953*u"amu", 165 => 164.93527*u"amu", 157 => 156.942645*u"amu", 150 => 149.95852*u"amu", )), + +"Lu" => AtomicSpecies(71, "Lu", Dict{}(150 => 149.97355*u"amu", 169 => 168.9376441*u"amu", 176 => 175.9426897*u"amu", 177 => 176.9437615*u"amu", 179 => 178.9473309*u"amu", 180 => 179.949888*u"amu", 173 => 172.938934*u"amu", 184 => 183.96091*u"amu", 160 => 159.946033*u"amu", 154 => 153.95736*u"amu", 175 => 174.9407752*u"amu", 171 => 170.937917*u"amu", -1 => 174.96681495785498*u"amu", 166 => 165.939859*u"amu", 182 => 181.95504*u"amu", 164 => 163.941339*u"amu", 153 => 152.95875*u"amu", 178 => 177.945958*u"amu", 162 => 161.943283*u"amu", 185 => 184.96362*u"amu", 161 => 160.943572*u"amu", 151 => 150.96768*u"amu", 155 => 154.954321*u"amu", 172 => 171.9390891*u"amu", 181 => 180.95191*u"amu", 156 => 155.953033*u"amu", 159 => 158.946636*u"amu", 152 => 151.96412*u"amu", 170 => 169.938478*u"amu", 168 => 167.938736*u"amu", 174 => 173.9403409*u"amu", 163 => 162.941179*u"amu", 167 => 166.93827*u"amu", 165 => 164.939407*u"amu", 183 => 182.957363*u"amu", 158 => 157.949316*u"amu", 157 => 156.950127*u"amu", )), + +"Hf" => AtomicSpecies(72, "Hf", Dict{}(169 => 168.941259*u"amu", 176 => 175.9414076*u"amu", 177 => 176.9432277*u"amu", 179 => 178.9458232*u"amu", 180 => 179.946557*u"amu", 173 => 172.940513*u"amu", 184 => 183.955446*u"amu", 160 => 159.950691*u"amu", 187 => 186.96477*u"amu", 154 => 153.96486*u"amu", 188 => 187.96685*u"amu", 175 => 174.9415092*u"amu", 171 => 170.940492*u"amu", -1 => 178.4849787234*u"amu", 166 => 165.94218*u"amu", 182 => 181.9505612*u"amu", 164 => 163.944371*u"amu", 153 => 152.97069*u"amu", 178 => 177.9437058*u"amu", 186 => 185.960897*u"amu", 162 => 161.9472148*u"amu", 185 => 184.958862*u"amu", 189 => 188.97084*u"amu", 161 => 160.950278*u"amu", 172 => 171.93945*u"amu", 155 => 154.96311*u"amu", 181 => 180.9491083*u"amu", 156 => 155.95935*u"amu", 159 => 158.953996*u"amu", 170 => 169.939609*u"amu", 168 => 167.940568*u"amu", 174 => 173.9400461*u"amu", 163 => 162.947113*u"amu", 167 => 166.9426*u"amu", 165 => 164.944567*u"amu", 183 => 182.95353*u"amu", 157 => 156.95824*u"amu", 158 => 157.954801*u"amu", )), + +"Ta" => AtomicSpecies(73, "Ta", Dict{}(169 => 168.946011*u"amu", 176 => 175.944857*u"amu", 192 => 191.97514*u"amu", 177 => 176.9444795*u"amu", 179 => 178.9459366*u"amu", 180 => 179.9474648*u"amu", 173 => 172.94375*u"amu", 184 => 183.954008*u"amu", 160 => 159.961488*u"amu", 187 => 186.960386*u"amu", 188 => 187.963916*u"amu", 175 => 174.943737*u"amu", 171 => 170.944476*u"amu", -1 => 180.9478756362269*u"amu", 190 => 189.96939*u"amu", 166 => 165.950512*u"amu", 182 => 181.9501519*u"amu", 164 => 163.953534*u"amu", 189 => 188.96583*u"amu", 178 => 177.945678*u"amu", 186 => 185.958551*u"amu", 162 => 161.957294*u"amu", 185 => 184.955559*u"amu", 161 => 160.958452*u"amu", 172 => 171.944895*u"amu", 155 => 154.97424*u"amu", 181 => 180.9479958*u"amu", 156 => 155.97203*u"amu", 159 => 158.963023*u"amu", 170 => 169.946175*u"amu", 168 => 167.948047*u"amu", 174 => 173.944454*u"amu", 191 => 190.97156*u"amu", 163 => 162.954337*u"amu", 167 => 166.948093*u"amu", 165 => 164.950781*u"amu", 183 => 182.9513726*u"amu", 157 => 156.96818*u"amu", 158 => 157.96654*u"amu", )), + +"W" => AtomicSpecies(74, "W", Dict{}(169 => 168.951779*u"amu", 176 => 175.945634*u"amu", 192 => 191.96817*u"amu", 177 => 176.946643*u"amu", 179 => 178.947077*u"amu", 180 => 179.9467108*u"amu", 173 => 172.947689*u"amu", 184 => 183.95093092*u"amu", 160 => 159.96846*u"amu", 187 => 186.9571588*u"amu", 188 => 187.9584862*u"amu", 175 => 174.946717*u"amu", 171 => 170.949451*u"amu", -1 => 183.841777550513*u"amu", 190 => 189.963091*u"amu", 166 => 165.955031*u"amu", 182 => 181.94820394*u"amu", 164 => 163.958961*u"amu", 189 => 188.961763*u"amu", 178 => 177.945883*u"amu", 186 => 185.9543628*u"amu", 162 => 161.963499*u"amu", 185 => 184.95341897*u"amu", 161 => 160.9672*u"amu", 172 => 171.947292*u"amu", 181 => 180.9481978*u"amu", 159 => 158.97264*u"amu", 170 => 169.949232*u"amu", 168 => 167.951806*u"amu", 174 => 173.946079*u"amu", 191 => 190.966531*u"amu", 163 => 162.962524*u"amu", 193 => 192.97178*u"amu", 167 => 166.954805*u"amu", 165 => 164.958281*u"amu", 194 => 193.97367*u"amu", 183 => 182.95022275*u"amu", 157 => 156.97884*u"amu", 158 => 157.97456*u"amu", )), + +"Re" => AtomicSpecies(75, "Re", Dict{}(169 => 168.958766*u"amu", 176 => 175.951623*u"amu", 195 => 194.97254*u"amu", 177 => 176.950328*u"amu", 179 => 178.949989*u"amu", 180 => 179.950792*u"amu", 173 => 172.953243*u"amu", 184 => 183.9525228*u"amu", 160 => 159.98182*u"amu", 187 => 186.9557501*u"amu", 188 => 187.9581115*u"amu", 175 => 174.951381*u"amu", 171 => 170.955716*u"amu", -1 => 186.20670454560002*u"amu", 190 => 189.961744*u"amu", 197 => 196.97799*u"amu", 166 => 165.965761*u"amu", 182 => 181.95121*u"amu", 164 => 163.970453*u"amu", 189 => 188.959226*u"amu", 178 => 177.950989*u"amu", 186 => 185.9549856*u"amu", 162 => 161.97584*u"amu", 185 => 184.9529545*u"amu", 196 => 195.9758*u"amu", 198 => 197.9816*u"amu", 161 => 160.97757*u"amu", 172 => 171.95542*u"amu", 181 => 180.950058*u"amu", 159 => 158.98418*u"amu", 170 => 169.95822*u"amu", 168 => 167.961573*u"amu", 174 => 173.953115*u"amu", 191 => 190.963122*u"amu", 163 => 162.97208*u"amu", 193 => 192.967541*u"amu", 167 => 166.962595*u"amu", 165 => 164.967103*u"amu", 194 => 193.97076*u"amu", 183 => 182.9508196*u"amu", 192 => 191.966088*u"amu", )), + +"Os" => AtomicSpecies(76, "Os", Dict{}(197 => 196.97283*u"amu", 182 => 181.95211*u"amu", 164 => 163.97802*u"amu", 196 => 195.969641*u"amu", 186 => 185.953835*u"amu", 185 => 184.9540417*u"amu", 168 => 167.967808*u"amu", 191 => 190.9609264*u"amu", 183 => 182.953125*u"amu", 176 => 175.954806*u"amu", 177 => 176.954966*u"amu", 179 => 178.953817*u"amu", 199 => 198.97801*u"amu", 173 => 172.959808*u"amu", 188 => 187.9558352*u"amu", 171 => 170.963174*u"amu", 162 => 161.98443*u"amu", 172 => 171.960017*u"amu", 194 => 193.9651772*u"amu", 167 => 166.971549*u"amu", 202 => 201.98595*u"amu", 169 => 168.967018*u"amu", 200 => 199.97984*u"amu", 195 => 194.968318*u"amu", 180 => 179.952375*u"amu", 187 => 186.9557474*u"amu", -1 => 190.22485962823998*u"amu", 189 => 188.9581442*u"amu", 161 => 160.98903*u"amu", 170 => 169.963578*u"amu", 193 => 192.9641479*u"amu", 163 => 162.98241*u"amu", 192 => 191.961477*u"amu", 184 => 183.9524885*u"amu", 175 => 174.956945*u"amu", 190 => 189.9584437*u"amu", 201 => 200.98364*u"amu", 166 => 165.972692*u"amu", 198 => 197.97441*u"amu", 178 => 177.953254*u"amu", 181 => 180.953247*u"amu", 174 => 173.957064*u"amu", 165 => 164.9766*u"amu", )), + +"Ir" => AtomicSpecies(77, "Ir", Dict{}(169 => 168.976298*u"amu", 176 => 175.96365*u"amu", 200 => 199.9768*u"amu", 195 => 194.9659747*u"amu", 177 => 176.961301*u"amu", 179 => 178.95912*u"amu", 199 => 198.973805*u"amu", 180 => 179.959229*u"amu", 173 => 172.967506*u"amu", 184 => 183.957476*u"amu", 187 => 186.957542*u"amu", 188 => 187.958828*u"amu", 175 => 174.96415*u"amu", 171 => 170.97164*u"amu", -1 => 192.2160516521*u"amu", 190 => 189.9605412*u"amu", 197 => 196.969655*u"amu", 201 => 200.97864*u"amu", 166 => 165.98566*u"amu", 182 => 181.958076*u"amu", 164 => 163.99191*u"amu", 189 => 188.958715*u"amu", 178 => 177.961082*u"amu", 186 => 185.957944*u"amu", 185 => 184.956698*u"amu", 196 => 195.968397*u"amu", 198 => 197.97228*u"amu", 204 => 203.9896*u"amu", 203 => 202.98423*u"amu", 172 => 171.970607*u"amu", 181 => 180.957625*u"amu", 170 => 169.974922*u"amu", 168 => 167.979907*u"amu", 174 => 173.966861*u"amu", 191 => 190.9605893*u"amu", 193 => 192.9629216*u"amu", 194 => 193.9650735*u"amu", 167 => 166.981666*u"amu", 165 => 164.9875*u"amu", 183 => 182.95684*u"amu", 192 => 191.9626002*u"amu", 202 => 201.98199*u"amu", )), + +"Pt" => AtomicSpecies(78, "Pt", Dict{}(169 => 168.98657*u"amu", 176 => 175.968938*u"amu", 200 => 199.971443*u"amu", 195 => 194.9647917*u"amu", 177 => 176.96847*u"amu", 179 => 178.965359*u"amu", 199 => 198.9705952*u"amu", 180 => 179.963032*u"amu", 173 => 172.976443*u"amu", 184 => 183.959915*u"amu", 187 => 186.960617*u"amu", 188 => 187.9593889*u"amu", 175 => 174.97241*u"amu", 171 => 170.981245*u"amu", -1 => 195.084456864931*u"amu", 190 => 189.9599297*u"amu", 197 => 196.96734069*u"amu", 201 => 200.974513*u"amu", 206 => 205.98966*u"amu", 166 => 165.99486*u"amu", 182 => 181.961172*u"amu", 189 => 188.960831*u"amu", 196 => 195.96495209*u"amu", 178 => 177.96565*u"amu", 186 => 185.959351*u"amu", 185 => 184.960614*u"amu", 198 => 197.9678949*u"amu", 204 => 203.98076*u"amu", 203 => 202.97893*u"amu", 172 => 171.977351*u"amu", 181 => 180.963098*u"amu", 170 => 169.982496*u"amu", 168 => 167.98813*u"amu", 174 => 173.97282*u"amu", 191 => 190.9616729*u"amu", 193 => 192.9629824*u"amu", 194 => 193.9626809*u"amu", 167 => 166.99269*u"amu", 205 => 204.98608*u"amu", 183 => 182.961597*u"amu", 192 => 191.9610387*u"amu", 202 => 201.975639*u"amu", )), + +"Au" => AtomicSpecies(79, "Au", Dict{}(197 => 196.96656879*u"amu", 182 => 181.969618*u"amu", 196 => 195.9665699*u"amu", 186 => 185.965953*u"amu", 185 => 184.96579*u"amu", 210 => 210.0025*u"amu", 191 => 190.963702*u"amu", 207 => 206.9884*u"amu", 205 => 204.97985*u"amu", 183 => 182.967591*u"amu", 176 => 175.98025*u"amu", 177 => 176.97687*u"amu", 179 => 178.973174*u"amu", 199 => 198.96876528*u"amu", 173 => 172.986241*u"amu", 188 => 187.965349*u"amu", 171 => 170.991876*u"amu", 204 => 203.97783*u"amu", 203 => 202.9751544*u"amu", 172 => 171.989942*u"amu", 208 => 207.99345*u"amu", 194 => 193.9654178*u"amu", 202 => 201.973856*u"amu", 169 => 168.99808*u"amu", 200 => 199.970756*u"amu", 195 => 194.9650352*u"amu", 180 => 179.972523*u"amu", 187 => 186.964543*u"amu", -1 => 196.96656879*u"amu", 189 => 188.963948*u"amu", 170 => 169.99597*u"amu", 193 => 192.9641373*u"amu", 209 => 208.99735*u"amu", 192 => 191.964814*u"amu", 184 => 183.967452*u"amu", 175 => 174.981304*u"amu", 190 => 189.964698*u"amu", 201 => 200.9716575*u"amu", 206 => 205.98474*u"amu", 198 => 197.96824242*u"amu", 178 => 177.976032*u"amu", 181 => 180.970079*u"amu", 174 => 173.984717*u"amu", )), + +"Hg" => AtomicSpecies(80, "Hg", Dict{}(197 => 196.9672128*u"amu", 215 => 215.0174*u"amu", 182 => 181.974689*u"amu", 196 => 195.9658326*u"amu", 186 => 185.969362*u"amu", 185 => 184.971899*u"amu", 210 => 209.99424*u"amu", 191 => 190.967157*u"amu", 207 => 206.9823*u"amu", 205 => 204.9760734*u"amu", 183 => 182.9744448*u"amu", 176 => 175.987361*u"amu", 177 => 176.986277*u"amu", 179 => 178.981831*u"amu", 199 => 198.96828064*u"amu", 173 => 172.99709*u"amu", 188 => 187.967567*u"amu", 171 => 171.00353*u"amu", 204 => 203.97349398*u"amu", 216 => 216.02132*u"amu", 203 => 202.9728728*u"amu", 172 => 171.99881*u"amu", 208 => 207.985759*u"amu", 194 => 193.9654491*u"amu", 211 => 210.99933*u"amu", 202 => 201.9706434*u"amu", 200 => 199.96832659*u"amu", 195 => 194.966721*u"amu", 180 => 179.97826*u"amu", 187 => 186.969814*u"amu", 213 => 213.00823*u"amu", -1 => 200.59916703455602*u"amu", 189 => 188.968195*u"amu", 212 => 212.00296*u"amu", 193 => 192.966653*u"amu", 209 => 208.99072*u"amu", 192 => 191.965635*u"amu", 184 => 183.971714*u"amu", 175 => 174.991441*u"amu", 190 => 189.966323*u"amu", 201 => 200.97030284*u"amu", 206 => 205.977514*u"amu", 198 => 197.9667686*u"amu", 214 => 214.012*u"amu", 178 => 177.982484*u"amu", 181 => 180.977819*u"amu", 174 => 173.992865*u"amu", )), + +"Tl" => AtomicSpecies(81, "Tl", Dict{}(197 => 196.969576*u"amu", 215 => 215.01064*u"amu", 182 => 181.985713*u"amu", 196 => 195.970481*u"amu", 186 => 185.978651*u"amu", 185 => 184.978789*u"amu", 210 => 209.990074*u"amu", 191 => 190.9717842*u"amu", 207 => 206.9774197*u"amu", 205 => 204.9744278*u"amu", 183 => 182.982193*u"amu", 218 => 218.02479*u"amu", 176 => 176.000624*u"amu", 177 => 176.996431*u"amu", 179 => 178.991111*u"amu", 199 => 198.969877*u"amu", 188 => 187.976021*u"amu", 204 => 203.9738639*u"amu", 216 => 216.0158*u"amu", 203 => 202.9723446*u"amu", 208 => 207.982019*u"amu", 194 => 193.971081*u"amu", 211 => 210.993475*u"amu", 202 => 201.972102*u"amu", 200 => 199.9709633*u"amu", 195 => 194.969774*u"amu", 180 => 179.990057*u"amu", 187 => 186.9759063*u"amu", 213 => 213.001915*u"amu", -1 => 204.38341283936*u"amu", 217 => 217.01966*u"amu", 189 => 188.973588*u"amu", 212 => 211.99834*u"amu", 193 => 192.970502*u"amu", 209 => 208.9853594*u"amu", 192 => 191.972225*u"amu", 184 => 183.981886*u"amu", 190 => 189.973828*u"amu", 201 => 200.970822*u"amu", 206 => 205.9761106*u"amu", 198 => 197.970483*u"amu", 214 => 214.00694*u"amu", 178 => 177.99485*u"amu", 181 => 180.98626*u"amu", )), + +"Pb" => AtomicSpecies(82, "Pb", Dict{}(220 => 220.02541*u"amu", 197 => 196.9734312*u"amu", 215 => 215.00474*u"amu", 219 => 219.02177*u"amu", 182 => 181.992672*u"amu", 196 => 195.972774*u"amu", 186 => 185.984238*u"amu", 185 => 184.98761*u"amu", 210 => 209.9841889*u"amu", 191 => 190.978276*u"amu", 207 => 206.9758973*u"amu", 205 => 204.9744822*u"amu", 183 => 182.991872*u"amu", 218 => 218.01659*u"amu", 179 => 179.002201*u"amu", 199 => 198.972913*u"amu", 188 => 187.980875*u"amu", 204 => 203.973044*u"amu", 216 => 216.00803*u"amu", 203 => 202.9733911*u"amu", 208 => 207.9766525*u"amu", 194 => 193.974012*u"amu", 211 => 210.9887371*u"amu", 202 => 201.972152*u"amu", 200 => 199.971819*u"amu", 195 => 194.974543*u"amu", 180 => 179.997928*u"amu", 187 => 186.9839109*u"amu", 213 => 212.9965629*u"amu", -1 => 207.216908063*u"amu", 217 => 217.01314*u"amu", 189 => 188.980807*u"amu", 212 => 211.9918977*u"amu", 193 => 192.976173*u"amu", 209 => 208.9810905*u"amu", 192 => 191.975775*u"amu", 184 => 183.988136*u"amu", 190 => 189.978082*u"amu", 201 => 200.972883*u"amu", 206 => 205.9744657*u"amu", 198 => 197.972034*u"amu", 214 => 213.9998059*u"amu", 178 => 178.003831*u"amu", 181 => 180.996653*u"amu", )), + +"Bi" => AtomicSpecies(83, "Bi", Dict{}(218 => 218.014188*u"amu", 200 => 199.978131*u"amu", 224 => 224.03947*u"amu", 223 => 223.0345*u"amu", 195 => 194.9806488*u"amu", 199 => 198.977673*u"amu", 220 => 220.02235*u"amu", 221 => 221.02587*u"amu", 184 => 184.001275*u"amu", 187 => 186.993147*u"amu", 188 => 187.992287*u"amu", 213 => 212.9943851*u"amu", 190 => 189.988622*u"amu", -1 => 208.9803991*u"amu", 197 => 196.9788651*u"amu", 201 => 200.97701*u"amu", 215 => 215.00177*u"amu", 206 => 205.9784993*u"amu", 189 => 188.989195*u"amu", 198 => 197.979206*u"amu", 196 => 195.980667*u"amu", 204 => 203.9778361*u"amu", 186 => 185.996644*u"amu", 214 => 213.998712*u"amu", 185 => 184.9976*u"amu", 217 => 217.009372*u"amu", 219 => 219.01748*u"amu", 222 => 222.03078*u"amu", 216 => 216.006306*u"amu", 203 => 202.976893*u"amu", 210 => 209.9841207*u"amu", 212 => 211.991286*u"amu", 208 => 207.9797425*u"amu", 191 => 190.9857866*u"amu", 193 => 192.98296*u"amu", 194 => 193.982785*u"amu", 207 => 206.978471*u"amu", 209 => 208.9803991*u"amu", 205 => 204.9773867*u"amu", 211 => 210.9872697*u"amu", 192 => 191.985469*u"amu", 202 => 201.977734*u"amu", )), + +"Po" => AtomicSpecies(84, "Po", Dict{}(220 => 220.016386*u"amu", 197 => 196.98566*u"amu", 215 => 214.9994201*u"amu", 219 => 219.013614*u"amu", 196 => 195.985526*u"amu", 186 => 186.004393*u"amu", 210 => 209.9828741*u"amu", 191 => 190.9945585*u"amu", 207 => 206.9815938*u"amu", 205 => 204.981203*u"amu", 218 => 218.0089735*u"amu", 224 => 224.03211*u"amu", 199 => 198.983667*u"amu", 188 => 187.999416*u"amu", 204 => 203.98031*u"amu", 216 => 216.0019152*u"amu", 203 => 202.9814161*u"amu", 208 => 207.9812461*u"amu", 194 => 193.988186*u"amu", 211 => 210.9866536*u"amu", 202 => 201.980758*u"amu", 200 => 199.981799*u"amu", 195 => 194.988126*u"amu", 187 => 187.003041*u"amu", 213 => 212.9928576*u"amu", -1 => 0*u"amu", 217 => 217.0063182*u"amu", 189 => 188.998473*u"amu", 227 => 227.04539*u"amu", 222 => 222.02414*u"amu", 212 => 211.9888684*u"amu", 225 => 225.03707*u"amu", 193 => 192.991026*u"amu", 209 => 208.9824308*u"amu", 226 => 226.04031*u"amu", 192 => 191.991336*u"amu", 223 => 223.02907*u"amu", 221 => 221.021228*u"amu", 190 => 189.995101*u"amu", 201 => 200.9822598*u"amu", 206 => 205.980474*u"amu", 198 => 197.983389*u"amu", 214 => 213.9952017*u"amu", )), + +"At" => AtomicSpecies(85, "At", Dict{}(218 => 218.008695*u"amu", 200 => 199.990351*u"amu", 224 => 224.029749*u"amu", 223 => 223.025151*u"amu", 195 => 194.9962685*u"amu", 199 => 198.9905277*u"amu", 220 => 220.015433*u"amu", 221 => 221.018017*u"amu", 213 => 212.992937*u"amu", 197 => 196.993189*u"amu", -1 => 0*u"amu", 201 => 200.9884171*u"amu", 215 => 214.9986528*u"amu", 217 => 217.0047192*u"amu", 206 => 205.986657*u"amu", 198 => 197.992784*u"amu", 204 => 203.987251*u"amu", 196 => 195.9958*u"amu", 214 => 213.9963721*u"amu", 219 => 219.0111618*u"amu", 222 => 222.022494*u"amu", 227 => 227.04024*u"amu", 216 => 216.0024236*u"amu", 203 => 202.986943*u"amu", 210 => 209.9871479*u"amu", 212 => 211.9907377*u"amu", 225 => 225.03263*u"amu", 228 => 228.04475*u"amu", 208 => 207.9866133*u"amu", 191 => 191.004148*u"amu", 193 => 192.999927*u"amu", 194 => 193.999236*u"amu", 207 => 206.9858*u"amu", 209 => 208.9861702*u"amu", 205 => 204.986076*u"amu", 211 => 210.9874966*u"amu", 226 => 226.03716*u"amu", 229 => 229.04812*u"amu", 192 => 192.003152*u"amu", 202 => 201.98863*u"amu", )), + +"Rn" => AtomicSpecies(86, "Rn", Dict{}(200 => 199.99569*u"amu", 224 => 224.024096*u"amu", 230 => 230.04514*u"amu", 223 => 223.0218893*u"amu", 195 => 195.005422*u"amu", 199 => 198.99839*u"amu", 220 => 220.0113941*u"amu", 221 => 221.0155371*u"amu", 213 => 212.9938831*u"amu", 197 => 197.001585*u"amu", -1 => 0*u"amu", 201 => 200.995628*u"amu", 215 => 214.9987459*u"amu", 217 => 217.003928*u"amu", 206 => 205.990214*u"amu", 198 => 197.998679*u"amu", 204 => 203.99143*u"amu", 196 => 196.002116*u"amu", 214 => 213.995363*u"amu", 219 => 219.0094804*u"amu", 222 => 222.0175782*u"amu", 227 => 227.035304*u"amu", 216 => 216.0002719*u"amu", 203 => 202.993388*u"amu", 210 => 209.9896891*u"amu", 212 => 211.9907039*u"amu", 225 => 225.028486*u"amu", 228 => 228.037835*u"amu", 208 => 207.989635*u"amu", 231 => 231.04987*u"amu", 193 => 193.009708*u"amu", 207 => 206.9907303*u"amu", 194 => 194.006144*u"amu", 209 => 208.990415*u"amu", 211 => 210.9906011*u"amu", 205 => 204.991719*u"amu", 226 => 226.030861*u"amu", 229 => 229.042257*u"amu", 202 => 201.993264*u"amu", 218 => 218.0056016*u"amu", )), + +"Fr" => AtomicSpecies(87, "Fr", Dict{}(200 => 200.006586*u"amu", 224 => 224.023398*u"amu", 230 => 230.042416*u"amu", 223 => 223.019736*u"amu", 199 => 199.007259*u"amu", 220 => 220.0123277*u"amu", 221 => 221.0142552*u"amu", 213 => 212.996186*u"amu", -1 => 0*u"amu", 201 => 201.003867*u"amu", 215 => 215.0003418*u"amu", 217 => 217.0046323*u"amu", 206 => 205.998666*u"amu", 219 => 219.0092524*u"amu", 204 => 204.000652*u"amu", 214 => 213.9989713*u"amu", 227 => 227.031869*u"amu", 222 => 222.017552*u"amu", 233 => 233.05264*u"amu", 216 => 216.0031899*u"amu", 203 => 203.0009407*u"amu", 210 => 209.996422*u"amu", 212 => 211.9962257*u"amu", 225 => 225.025573*u"amu", 228 => 228.035823*u"amu", 232 => 232.04937*u"amu", 208 => 207.997138*u"amu", 231 => 231.045158*u"amu", 229 => 229.038298*u"amu", 207 => 206.996946*u"amu", 209 => 208.995955*u"amu", 211 => 210.995556*u"amu", 205 => 204.9985939*u"amu", 226 => 226.029566*u"amu", 202 => 202.00332*u"amu", 218 => 218.0075787*u"amu", )), + +"Ra" => AtomicSpecies(88, "Ra", Dict{}(224 => 224.020212*u"amu", 230 => 230.037055*u"amu", 223 => 223.0185023*u"amu", 220 => 220.0110259*u"amu", 221 => 221.0139177*u"amu", 213 => 213.000384*u"amu", 234 => 234.050342*u"amu", -1 => 0*u"amu", 201 => 201.01271*u"amu", 215 => 215.0027204*u"amu", 217 => 217.0063207*u"amu", 206 => 206.003828*u"amu", 219 => 219.0100855*u"amu", 204 => 204.006492*u"amu", 214 => 214.0000997*u"amu", 227 => 227.0291783*u"amu", 222 => 222.0153748*u"amu", 233 => 233.047582*u"amu", 235 => 235.05497*u"amu", 216 => 216.0035334*u"amu", 203 => 203.009304*u"amu", 210 => 210.000494*u"amu", 212 => 211.999787*u"amu", 225 => 225.0236119*u"amu", 228 => 228.0310707*u"amu", 232 => 232.0434753*u"amu", 208 => 208.001841*u"amu", 231 => 231.041027*u"amu", 229 => 229.034942*u"amu", 207 => 207.003799*u"amu", 209 => 209.00199*u"amu", 211 => 211.0008932*u"amu", 205 => 205.006268*u"amu", 226 => 226.0254103*u"amu", 202 => 202.00976*u"amu", 218 => 218.007141*u"amu", )), + +"Ac" => AtomicSpecies(89, "Ac", Dict{}(224 => 224.0217232*u"amu", 230 => 230.036327*u"amu", 223 => 223.0191377*u"amu", 220 => 220.0147549*u"amu", 221 => 221.015592*u"amu", 213 => 213.006609*u"amu", 234 => 234.048139*u"amu", -1 => 0*u"amu", 215 => 215.006475*u"amu", 219 => 219.012421*u"amu", 217 => 217.009344*u"amu", 206 => 206.014452*u"amu", 233 => 233.044346*u"amu", 235 => 235.05084*u"amu", 214 => 214.006918*u"amu", 227 => 227.0277523*u"amu", 222 => 222.0178442*u"amu", 237 => 237.05827*u"amu", 216 => 216.008743*u"amu", 210 => 210.009436*u"amu", 212 => 212.007813*u"amu", 225 => 225.02323*u"amu", 228 => 228.0310215*u"amu", 232 => 232.042034*u"amu", 208 => 208.01155*u"amu", 231 => 231.038393*u"amu", 229 => 229.032956*u"amu", 207 => 207.011966*u"amu", 209 => 209.009495*u"amu", 211 => 211.007732*u"amu", 236 => 236.054988*u"amu", 226 => 226.0260984*u"amu", 218 => 218.011642*u"amu", )), + +"Th" => AtomicSpecies(90, "Th", Dict{}(224 => 224.021464*u"amu", 230 => 230.0331341*u"amu", 223 => 223.0208119*u"amu", 220 => 220.015748*u"amu", 221 => 221.018184*u"amu", 213 => 213.013009*u"amu", 234 => 234.0436014*u"amu", -1 => 232.0380558*u"amu", 215 => 215.0117248*u"amu", 219 => 219.015537*u"amu", 217 => 217.013117*u"amu", 237 => 237.053629*u"amu", 233 => 233.0415823*u"amu", 235 => 235.047255*u"amu", 214 => 214.0115*u"amu", 227 => 227.0277042*u"amu", 222 => 222.018469*u"amu", 216 => 216.011056*u"amu", 210 => 210.015094*u"amu", 212 => 212.012988*u"amu", 225 => 225.0239514*u"amu", 228 => 228.0287413*u"amu", 239 => 239.06077*u"amu", 232 => 232.0380558*u"amu", 208 => 208.0179*u"amu", 231 => 231.0363046*u"amu", 229 => 229.0317627*u"amu", 209 => 209.017753*u"amu", 211 => 211.014929*u"amu", 236 => 236.049657*u"amu", 226 => 226.0249034*u"amu", 238 => 238.0565*u"amu", 218 => 218.013276*u"amu", )), + +"Pa" => AtomicSpecies(91, "Pa", Dict{}(224 => 224.0256176*u"amu", 230 => 230.034541*u"amu", 223 => 223.023963*u"amu", 220 => 220.021705*u"amu", 221 => 221.021875*u"amu", 213 => 213.021109*u"amu", 234 => 234.0433072*u"amu", -1 => 231.0358842*u"amu", 215 => 215.019183*u"amu", 219 => 219.019904*u"amu", 217 => 217.018325*u"amu", 237 => 237.051023*u"amu", 233 => 233.0402472*u"amu", 235 => 235.045399*u"amu", 214 => 214.020918*u"amu", 227 => 227.0288054*u"amu", 222 => 222.023784*u"amu", 216 => 216.019109*u"amu", 212 => 212.023203*u"amu", 225 => 225.026131*u"amu", 228 => 228.0310517*u"amu", 239 => 239.05726*u"amu", 232 => 232.0385917*u"amu", 231 => 231.0358842*u"amu", 241 => 241.06408*u"amu", 229 => 229.0320972*u"amu", 240 => 240.06098*u"amu", 236 => 236.048668*u"amu", 226 => 226.027948*u"amu", 238 => 238.054637*u"amu", 218 => 218.020059*u"amu", )), + +"U" => AtomicSpecies(92, "U", Dict{}(224 => 224.027605*u"amu", 230 => 230.0339401*u"amu", 223 => 223.027739*u"amu", 220 => 220.02462*u"amu", 221 => 221.02628*u"amu", 234 => 234.0409523*u"amu", -1 => 238.0289104616574*u"amu", 219 => 219.024999*u"amu", 217 => 217.02466*u"amu", 237 => 237.0487304*u"amu", 233 => 233.0396355*u"amu", 235 => 235.0439301*u"amu", 227 => 227.031157*u"amu", 222 => 222.026*u"amu", 225 => 225.029391*u"amu", 228 => 228.031371*u"amu", 239 => 239.0542935*u"amu", 232 => 232.0371563*u"amu", 231 => 231.0362939*u"amu", 241 => 241.06033*u"amu", 243 => 243.06699*u"amu", 229 => 229.0335063*u"amu", 240 => 240.0565934*u"amu", 236 => 236.0455682*u"amu", 242 => 242.06293*u"amu", 226 => 226.029339*u"amu", 238 => 238.0507884*u"amu", 218 => 218.023523*u"amu", )), + +"Np" => AtomicSpecies(93, "Np", Dict{}(224 => 224.03422*u"amu", 230 => 230.037828*u"amu", 223 => 223.03285*u"amu", 220 => 220.03254*u"amu", 221 => 221.03204*u"amu", 234 => 234.0428953*u"amu", -1 => 0*u"amu", 219 => 219.03143*u"amu", 237 => 237.0481736*u"amu", 233 => 233.040741*u"amu", 235 => 235.0440635*u"amu", 227 => 227.034957*u"amu", 222 => 222.0333*u"amu", 225 => 225.033911*u"amu", 228 => 228.036067*u"amu", 239 => 239.0529392*u"amu", 232 => 232.04011*u"amu", 231 => 231.038245*u"amu", 241 => 241.058253*u"amu", 243 => 243.06428*u"amu", 245 => 245.0708*u"amu", 229 => 229.036264*u"amu", 240 => 240.056165*u"amu", 236 => 236.04657*u"amu", 242 => 242.06164*u"amu", 226 => 226.035188*u"amu", 238 => 238.0509466*u"amu", 244 => 244.06785*u"amu", )), + +"Pu" => AtomicSpecies(94, "Pu", Dict{}(230 => 230.03965*u"amu", 234 => 234.0433174*u"amu", -1 => 0*u"amu", 237 => 237.0484098*u"amu", 233 => 233.042998*u"amu", 235 => 235.045286*u"amu", 246 => 246.070205*u"amu", 239 => 239.0521636*u"amu", 228 => 228.038732*u"amu", 232 => 232.041185*u"amu", 247 => 247.07419*u"amu", 231 => 231.041102*u"amu", 241 => 241.0568517*u"amu", 243 => 243.0620036*u"amu", 245 => 245.067826*u"amu", 229 => 229.040144*u"amu", 240 => 240.0538138*u"amu", 236 => 236.0460581*u"amu", 242 => 242.0587428*u"amu", 238 => 238.0495601*u"amu", 244 => 244.0642053*u"amu", )), + +"Am" => AtomicSpecies(95, "Am", Dict{}(230 => 230.04609*u"amu", 234 => 234.04773*u"amu", -1 => 0*u"amu", 237 => 237.049996*u"amu", 233 => 233.04644*u"amu", 235 => 235.047908*u"amu", 246 => 246.069775*u"amu", 239 => 239.0530247*u"amu", 249 => 249.07848*u"amu", 232 => 232.04645*u"amu", 247 => 247.07209*u"amu", 231 => 231.04556*u"amu", 241 => 241.0568293*u"amu", 243 => 243.0613813*u"amu", 245 => 245.0664548*u"amu", 240 => 240.0553*u"amu", 236 => 236.04943*u"amu", 242 => 242.0595494*u"amu", 238 => 238.051985*u"amu", 244 => 244.0642851*u"amu", 248 => 248.07575*u"amu", )), + +"Cm" => AtomicSpecies(96, "Cm", Dict{}(252 => 252.08487*u"amu", 234 => 234.05016*u"amu", -1 => 0*u"amu", 237 => 237.052869*u"amu", 233 => 233.05077*u"amu", 235 => 235.05154*u"amu", 251 => 251.082286*u"amu", 246 => 246.0672238*u"amu", 239 => 239.05491*u"amu", 249 => 249.0759548*u"amu", 232 => 232.04982*u"amu", 247 => 247.0703541*u"amu", 241 => 241.0576532*u"amu", 243 => 243.0613893*u"amu", 245 => 245.0654915*u"amu", 240 => 240.0555297*u"amu", 236 => 236.051374*u"amu", 242 => 242.058836*u"amu", 238 => 238.053081*u"amu", 244 => 244.0627528*u"amu", 248 => 248.0723499*u"amu", 250 => 250.078358*u"amu", )), + +"Bk" => AtomicSpecies(97, "Bk", Dict{}(252 => 252.08431*u"amu", 234 => 234.05727*u"amu", -1 => 0*u"amu", 237 => 237.0571*u"amu", 235 => 235.05658*u"amu", 251 => 251.080762*u"amu", 253 => 253.08688*u"amu", 246 => 246.068673*u"amu", 239 => 239.05824*u"amu", 249 => 249.0749877*u"amu", 247 => 247.0703073*u"amu", 241 => 241.06016*u"amu", 243 => 243.0630078*u"amu", 245 => 245.0663618*u"amu", 240 => 240.05976*u"amu", 254 => 254.0906*u"amu", 236 => 236.05748*u"amu", 242 => 242.06198*u"amu", 238 => 238.0582*u"amu", 244 => 244.065181*u"amu", 248 => 248.073088*u"amu", 250 => 250.0783167*u"amu", )), + +"Cf" => AtomicSpecies(98, "Cf", Dict{}(255 => 255.09105*u"amu", 252 => 252.0816272*u"amu", 256 => 256.09344*u"amu", -1 => 0*u"amu", 237 => 237.062198*u"amu", 251 => 251.0795886*u"amu", 253 => 253.0851345*u"amu", 246 => 246.0688055*u"amu", 239 => 239.06253*u"amu", 249 => 249.0748539*u"amu", 247 => 247.070965*u"amu", 241 => 241.06369*u"amu", 243 => 243.06548*u"amu", 245 => 245.0680487*u"amu", 240 => 240.062256*u"amu", 254 => 254.087324*u"amu", 242 => 242.063754*u"amu", 238 => 238.06149*u"amu", 244 => 244.0660008*u"amu", 248 => 248.0721851*u"amu", 250 => 250.0764062*u"amu", )), + +"Es" => AtomicSpecies(99, "Es", Dict{}(258 => 258.09952*u"amu", 255 => 255.090275*u"amu", 252 => 252.08298*u"amu", 256 => 256.0936*u"amu", -1 => 0*u"amu", 251 => 251.0799936*u"amu", 253 => 253.0848257*u"amu", 246 => 246.0729*u"amu", 239 => 239.06823*u"amu", 249 => 249.076411*u"amu", 247 => 247.073622*u"amu", 241 => 241.06856*u"amu", 243 => 243.06951*u"amu", 245 => 245.07125*u"amu", 240 => 240.06892*u"amu", 254 => 254.0880222*u"amu", 242 => 242.06957*u"amu", 244 => 244.07088*u"amu", 248 => 248.075471*u"amu", 250 => 250.07861*u"amu", 257 => 257.09598*u"amu", )), + +"Fm" => AtomicSpecies(100, "Fm", Dict{}(260 => 260.10281*u"amu", 258 => 258.09708*u"amu", 255 => 255.089964*u"amu", 252 => 252.0824671*u"amu", 256 => 256.0917745*u"amu", -1 => 0*u"amu", 251 => 251.08154*u"amu", 253 => 253.0851846*u"amu", 246 => 246.07535*u"amu", 249 => 249.0789275*u"amu", 259 => 259.1006*u"amu", 247 => 247.07694*u"amu", 241 => 241.07421*u"amu", 243 => 243.07446*u"amu", 245 => 245.07535*u"amu", 254 => 254.0868544*u"amu", 242 => 242.07343*u"amu", 244 => 244.07404*u"amu", 248 => 248.0771865*u"amu", 250 => 250.079521*u"amu", 257 => 257.0951061*u"amu", )), + +"Md" => AtomicSpecies(101, "Md", Dict{}(260 => 260.10365*u"amu", 258 => 258.0984315*u"amu", 255 => 255.0910841*u"amu", 252 => 252.08643*u"amu", 256 => 256.09389*u"amu", -1 => 0*u"amu", 251 => 251.084774*u"amu", 253 => 253.087144*u"amu", 262 => 262.1091*u"amu", 246 => 246.08171*u"amu", 249 => 249.08291*u"amu", 259 => 259.10051*u"amu", 247 => 247.08152*u"amu", 245 => 245.08081*u"amu", 261 => 261.10583*u"amu", 254 => 254.08959*u"amu", 250 => 250.08441*u"amu", 248 => 248.08282*u"amu", 257 => 257.0955424*u"amu", )), + +"No" => AtomicSpecies(102, "No", Dict{}(260 => 260.10264*u"amu", 258 => 258.09821*u"amu", 255 => 255.093191*u"amu", 252 => 252.088967*u"amu", 256 => 256.0942829*u"amu", 264 => 264.11273*u"amu", -1 => 0*u"amu", 251 => 251.08894*u"amu", 253 => 253.0905641*u"amu", 262 => 262.10746*u"amu", 249 => 249.0878*u"amu", 259 => 259.10103*u"amu", 263 => 263.11071*u"amu", 261 => 261.1057*u"amu", 254 => 254.090956*u"amu", 250 => 250.08756*u"amu", 248 => 248.08655*u"amu", 257 => 257.0968878*u"amu", )), + +"Lr" => AtomicSpecies(103, "Lr", Dict{}(260 => 260.1055*u"amu", 265 => 265.11619*u"amu", 258 => 258.10176*u"amu", 255 => 255.096562*u"amu", 252 => 252.09526*u"amu", 256 => 256.098494*u"amu", 264 => 264.1142*u"amu", -1 => 0*u"amu", 266 => 266.11983*u"amu", 251 => 251.09418*u"amu", 253 => 253.09509*u"amu", 262 => 262.10961*u"amu", 259 => 259.102902*u"amu", 263 => 263.11136*u"amu", 261 => 261.10688*u"amu", 254 => 254.09648*u"amu", 257 => 257.099418*u"amu", )), + +"Rf" => AtomicSpecies(104, "Rf", Dict{}(260 => 260.10644*u"amu", 265 => 265.11668*u"amu", 258 => 258.103428*u"amu", 268 => 268.12397*u"amu", 255 => 255.10127*u"amu", 256 => 256.101152*u"amu", 264 => 264.11388*u"amu", -1 => 0*u"amu", 266 => 266.11817*u"amu", 253 => 253.10044*u"amu", 262 => 262.10992*u"amu", 267 => 267.12179*u"amu", 259 => 259.105596*u"amu", 263 => 263.11249*u"amu", 261 => 261.108773*u"amu", 254 => 254.10005*u"amu", 257 => 257.102918*u"amu", )), + +"Db" => AtomicSpecies(105, "Db", Dict{}(260 => 260.1113*u"amu", 265 => 265.11861*u"amu", 258 => 258.10928*u"amu", 268 => 268.12567*u"amu", 255 => 255.10707*u"amu", 256 => 256.10789*u"amu", 264 => 264.11741*u"amu", -1 => 0*u"amu", 266 => 266.12103*u"amu", 262 => 262.11407*u"amu", 270 => 270.13136*u"amu", 267 => 267.12247*u"amu", 259 => 259.109492*u"amu", 263 => 263.11499*u"amu", 261 => 261.11192*u"amu", 269 => 269.12791*u"amu", 257 => 257.10758*u"amu", )), + +"Sg" => AtomicSpecies(106, "Sg", Dict{}(260 => 260.114384*u"amu", 265 => 265.12109*u"amu", 258 => 258.11298*u"amu", 268 => 268.12539*u"amu", 271 => 271.13393*u"amu", 264 => 264.11893*u"amu", -1 => 0*u"amu", 266 => 266.12198*u"amu", 272 => 272.13589*u"amu", 262 => 262.116337*u"amu", 270 => 270.13043*u"amu", 267 => 267.12436*u"amu", 259 => 259.1144*u"amu", 263 => 263.11829*u"amu", 261 => 261.115949*u"amu", 269 => 269.12863*u"amu", 273 => 273.13958*u"amu", )), + +"Bh" => AtomicSpecies(107, "Bh", Dict{}(260 => 260.12166*u"amu", 265 => 265.12491*u"amu", 268 => 268.12969*u"amu", 271 => 271.13526*u"amu", 264 => 264.12459*u"amu", -1 => 0*u"amu", 266 => 266.12679*u"amu", 272 => 272.13826*u"amu", 262 => 262.12297*u"amu", 275 => 275.14567*u"amu", 270 => 270.13336*u"amu", 274 => 274.14355*u"amu", 267 => 267.1275*u"amu", 263 => 263.12292*u"amu", 261 => 261.12145*u"amu", 269 => 269.13042*u"amu", 273 => 273.14024*u"amu", )), + +"Hs" => AtomicSpecies(108, "Hs", Dict{}(265 => 265.129793*u"amu", 268 => 268.13186*u"amu", 271 => 271.13717*u"amu", 277 => 277.1519*u"amu", 264 => 264.128357*u"amu", -1 => 0*u"amu", 266 => 266.130046*u"amu", 272 => 272.1385*u"amu", 275 => 275.14667*u"amu", 270 => 270.13429*u"amu", 274 => 274.1433*u"amu", 267 => 267.13167*u"amu", 276 => 276.14846*u"amu", 263 => 263.12852*u"amu", 269 => 269.13375*u"amu", 273 => 273.14168*u"amu", )), + +"Mt" => AtomicSpecies(109, "Mt", Dict{}(279 => 279.15808*u"amu", 265 => 265.136*u"amu", 268 => 268.13865*u"amu", 278 => 278.15631*u"amu", 271 => 271.14074*u"amu", 277 => 277.15327*u"amu", -1 => 0*u"amu", 266 => 266.13737*u"amu", 272 => 272.14341*u"amu", 275 => 275.14882*u"amu", 270 => 270.14033*u"amu", 274 => 274.14724*u"amu", 267 => 267.13719*u"amu", 276 => 276.15159*u"amu", 273 => 273.1444*u"amu", 269 => 269.13882*u"amu", )), + +"Ds" => AtomicSpecies(110, "Ds", Dict{}(279 => 279.1601*u"amu", 268 => 268.14348*u"amu", 278 => 278.15704*u"amu", 271 => 271.14595*u"amu", 277 => 277.15591*u"amu", -1 => 0*u"amu", 272 => 272.14602*u"amu", 281 => 281.16451*u"amu", 275 => 275.15203*u"amu", 270 => 270.144584*u"amu", 274 => 274.14941*u"amu", 267 => 267.14377*u"amu", 276 => 276.15303*u"amu", 280 => 280.16131*u"amu", 273 => 273.14856*u"amu", 269 => 269.144752*u"amu", )), + +"Rg" => AtomicSpecies(111, "Rg", Dict{}(279 => 279.16272*u"amu", 278 => 278.16149*u"amu", 277 => 277.15907*u"amu", -1 => 0*u"amu", 282 => 282.16912*u"amu", 272 => 272.15327*u"amu", 281 => 281.16636*u"amu", 275 => 275.15594*u"amu", 274 => 274.15525*u"amu", 276 => 276.15833*u"amu", 280 => 280.16514*u"amu", 283 => 283.17054*u"amu", 273 => 273.15313*u"amu", )), + +"Cn" => AtomicSpecies(112, "Cn", Dict{}(279 => 279.16654*u"amu", 285 => 285.17712*u"amu", 278 => 278.16416*u"amu", 277 => 277.16364*u"amu", -1 => 0*u"amu", 282 => 282.1705*u"amu", 281 => 281.16975*u"amu", 276 => 276.16141*u"amu", 280 => 280.16715*u"amu", 283 => 283.17327*u"amu", 284 => 284.17416*u"amu", )), + +"Nh" => AtomicSpecies(113, "Nh", Dict{}(279 => 279.17095*u"amu", 287 => 287.18339*u"amu", 285 => 285.17973*u"amu", 278 => 278.17058*u"amu", -1 => 0*u"amu", 282 => 282.17567*u"amu", 286 => 286.18221*u"amu", 281 => 281.17348*u"amu", 280 => 280.17293*u"amu", 283 => 283.17657*u"amu", 284 => 284.17873*u"amu", )), + +"Fl" => AtomicSpecies(114, "Fl", Dict{}(289 => 289.19042*u"amu", -1 => 0*u"amu", 287 => 287.18678*u"amu", 285 => 285.18364*u"amu", 286 => 286.18423*u"amu", 288 => 288.18757*u"amu", )), + +"Mc" => AtomicSpecies(115, "Mc", Dict{}(289 => 289.19363*u"amu", 290 => 290.19598*u"amu", 291 => 291.19707*u"amu", -1 => 0*u"amu", 287 => 287.1907*u"amu", 288 => 288.19274*u"amu", )), + +"Lv" => AtomicSpecies(116, "Lv", Dict{}(289 => 289.19816*u"amu", 290 => 290.19864*u"amu", 291 => 291.20108*u"amu", -1 => 0*u"amu", 293 => 293.20449*u"amu", 292 => 292.20174*u"amu", )), + +"Ts" => AtomicSpecies(117, "Ts", Dict{}(291 => 291.20553*u"amu", -1 => 0*u"amu", 293 => 293.20824*u"amu", 292 => 292.20746*u"amu", 294 => 294.21046*u"amu", )), + +"Og" => AtomicSpecies(118, "Og", Dict{}(-1 => 0*u"amu", 293 => 293.21356*u"amu", 294 => 294.21392*u"amu", 295 => 295.21624*u"amu", )) +); export ATOMIC_SPECIES \ No newline at end of file diff --git a/src/particle_functions.jl b/src/particle_functions.jl index 1b5a47a..9c59077 100644 --- a/src/particle_functions.jl +++ b/src/particle_functions.jl @@ -1,16 +1,6 @@ -""" - charge_per_mass(particle::Species) - -Calculate the charge per unit mass in whichever unit system you're using. -""" -charge_per_mass -function charge_per_mass(particle::Species) - return particle.charge / particle.mass -end; -export charge_per_mass # ------------------------------------------------------------------------------------------------------------ @@ -24,8 +14,8 @@ Get the atomic number (positive nuclear charge) of a tracked particle. atomicnumber function atomicnumber(particle::Species) - if haskey(Atomic_Particles, particle.name) - return Atomic_Particles[name].Z + if haskey(ATOMIC_SPECIES, particle.name) + return ATOMIC_SPECIES[name].Z else print(f"{particle.name} is not an atom, and thus no atomic number.") return diff --git a/src/physical_constants.jl b/src/physical_constants.jl deleted file mode 100644 index 6e5e273..0000000 --- a/src/physical_constants.jl +++ /dev/null @@ -1,105 +0,0 @@ - -# Constants pulled from the NIST table of -# the 2022 CODATA release - - - -# Format is: -# const __b_const_name = value; -# Constant Name const_unit - - -const __b_m_electron = 510998.95069 * u"eV/c^2" -# Electron Mass [eV]/c^2 -const __b_m_proton = 9.382720894300001e8 * u"eV/c^2" -# Proton Mass [eV]/c^2 -const __b_m_neutron = 9.395654219399999e8 * u"eV/c^2" -# Neutron Mass [eV]/c^2 -const __b_m_muon = 1.056583755e8 * u"eV/c^2" -# Muon Mass [eV]/c^2 -const __b_m_helion = 2.80839161112e9 * u"eV/c^2" -# Helion Mass He3 nucleus [eV]/c^2 -const __b_m_deuteron = 1.875612945e9 * u"eV/c^2" -# Deuteron Mass [eV]/c^2 -const __b_c_light = 2.99792458e8 * u"m/s" -# speed of light [m/s] -const __b_h_planck = 4.135667696e-15 * u"eV*s" -# Planck's constant [eV*s] -const __b_r_e = 2.8179403205e-15 * u"m" -# classical electron radius [m] -const __b_mu_0_vac = 1.25663706127e-6 * u"N/A^2" -# Vacuum permeability in [N/A^2] (newtons per ampere squared) - - -const __b_e_charge = 1.602176634e-19 * u"C" -# elementary charge [C] -const __b_N_avogadro = 6.02214076e23 -# Avogadro's constant: Number / mole (exact) - - - -const __b_fine_structure = 0.0072973525643 -# fine structure constant -const __b_kg_per_amu = 1.66053906892e-27 * u"kg/amu" -# kg per standard atomic mass unit (dalton) -const __b_eV_per_amu = 9.3149410372e8 * u"(eV/c^2)/amu" -# eV per standard atomic mass unit (dalton) -const __b_J_per_eV = 1.602176634e-19 * u"J/eV" -# Joules per eV - - - - - -const __b_mu_deuteron = 4.330735087e-27 * u"eV/T" -# deuteron magnetic moment in [eV/T] -const __b_mu_electron = -9.2847646917e-24 * u"eV/T" -# electron magnetic moment in [eV/T] -const __b_mu_helion = -1.07461755198e-26 * u"eV/T" -# helion magnetic moment in [eV/T] -const __b_mu_muon = -4.4904483e-26 * u"eV/T" -# muon magnetic moment in [eV/T] -const __b_mu_neutron = -9.6623653e-27 * u"eV/T" -# neutron magnetic moment in [eV/T] -const __b_mu_proton = 1.41060679545e-26 * u"eV/T" -# proton magnetic moment in [eV/T] -const __b_mu_triton = 1.5046095178e-26 * u"eV/T" -# triton magnetic moment in [eV/T] - - - - - - -# values calculated from other constants in this collection - - - - -const __b_classical_radius_factor = __b_r_e * __b_m_electron; -# e^2 / (4 pi eps_0) = classical_radius * mass * c^2. -# Is same for all particles of charge +/- 1. -const __b_r_p = __b_r_e * __b_m_electron / __b_m_proton; -# proton radius [m] -const __b_h_bar_planck = __b_h_planck / 2pi; -# h_planck/twopi [eV*s] -const __b_eps_0_vac = 8.8541878188e-12 * u"F/m" -# Permittivity of free space in [F/m] - - - - - - - -# constants mysteriously missing from the release -# picked up from PDG -const __b_m_pion_0 = 1.349768277676847e8 * u"eV/c^2" -# uncharged pion mass [eV]/c^2 -const __b_m_pion_charged = 1.3957039098368132e8 * u"eV/c^2" -# charged pion mass [eV]/c^2 - - - - -#--------------------------------------------------------------------------------------------------- \ No newline at end of file diff --git a/src/set_units.jl b/src/set_units.jl index 47b1ffd..e40deb3 100644 --- a/src/set_units.jl +++ b/src/set_units.jl @@ -158,7 +158,7 @@ function massof(species::Species, unit::Union{Unitful.FreeUnits,AbstractString}) if dimension(unit) != dimension(u"kg") error("mass unit doesn't have proper dimension") end - return (species.mass_in_eV * u"eV/c^2" |> unit).val + return (species.mass |> unit).val end @@ -185,7 +185,7 @@ function chargeof(species::Species, unit::Union{Unitful.FreeUnits,AbstractString if dimension(unit) != dimension(u"C") throw(ErrorException("charge unit doesn't have proper dimension")) end - return (species.charge * u"e" |> unit).val + return (species.charge |> unit).val end diff --git a/src/subatomic_species.jl b/src/subatomic_species.jl index 6c1ea28..2807677 100644 --- a/src/subatomic_species.jl +++ b/src/subatomic_species.jl @@ -1,33 +1,4 @@ -""" -SubtomicSpecies - -### Description: -> mutable struct to store all (possibly degenerate) information about a subatomic particle< - -### Fields: -- `species_name` -- String common name for (anti) baryon -- `charge` -- electric charge on the given particle in units of [e+] -- `mass_in_eV` -- mass of the given particle in [eV/c^2] -- `mu` -- magnetic moment of particle in [eV/T] -- `spin` -- spin of the particle in [ħ] - -### Notes: -some parameters in this struct are likely named constants from PhysicalConstants.jl - -### Examples: -- `SubatomicSpecies("neutron", 0, m_neutron, anom_mag_moment_neutron, 0.5)` -- `SubatomicSpecies("pion-", -1, m_pion_charged, 0.0, 0.0)` -""" -SubatomicSpecies - -struct SubatomicSpecies - species_name::String # common species_name of the particle - charge::Int # charge on the particle in units of e+ - mass_in_eV::Float64 # mass of the particle in [eV/c^2] - mu::Float64 # anomalous magnetic moment - spin::Float64 # spin magnetic moment in [ħ] -end; # ----------------------------------------------------------------------------------------------- @@ -48,20 +19,20 @@ Subatomic_Particles["some-particle"] = SubatomicSpecies("some-particle", ...) """ const SUBATOMIC_SPECIES = Dict{String,SubatomicSpecies}( - "pion0" => SubatomicSpecies("pion0", 0, __b_m_pion_0.val, 0.0, 0.0), - "neutron" => SubatomicSpecies("neutron", 0, __b_m_neutron.val, __b_mu_neutron.val, 0.5), - "deuteron" => SubatomicSpecies("deuteron", 1, __b_m_deuteron.val, __b_mu_deuteron.val, 1.0), - "pion+" => SubatomicSpecies("pion+", 1, __b_m_pion_charged.val, 0.0, 0.0), - "anti_muon" => SubatomicSpecies("anti-muon", 1, __b_m_muon.val, __b_mu_muon.val, 0.5), - "proton" => SubatomicSpecies("proton", 1, __b_m_proton.val, __b_mu_proton.val, 0.5), - "positron" => SubatomicSpecies("positron", 1, __b_m_electron.val, __b_mu_electron.val, 0.5), - "photon" => SubatomicSpecies("photon", 0, 0.0, 0.0, 0.0), - "electron" => SubatomicSpecies("electron", -1, __b_m_electron.val, __b_mu_electron.val, 0.5), - "anti_proton" => SubatomicSpecies("anti-proton", -1, __b_m_proton.val, __b_mu_proton.val, 0.5), - "muon" => SubatomicSpecies("muon", -1, __b_m_muon.val, __b_mu_muon.val, 0.5), - "pion-" => SubatomicSpecies("pion-", -1, __b_m_pion_charged.val, 0.0, 0.0), - "anti_deuteron" => SubatomicSpecies("anti-deuteron", -1, __b_m_deuteron.val, __b_mu_deuteron.val, 1.0), - "anti_neutron" => SubatomicSpecies("anti-neutron", 0, __b_m_neutron.val, __b_mu_neutron.val, 0.5) + "pion0" => SubatomicSpecies("pion0", 0*u"q", __b_m_pion_0, 0.0*u"J/T", 0.0*u"ħ"), + "neutron" => SubatomicSpecies("neutron", 0*u"q", __b_m_neutron, __b_mu_neutron, 0.5*u"ħ"), + "deuteron" => SubatomicSpecies("deuteron", 1*u"q", __b_m_deuteron, __b_mu_deuteron, 1.0*u"ħ"), + "pion+" => SubatomicSpecies("pion+", 1*u"q", __b_m_pion_charged, 0.0*u"J/T", 0.0*u"ħ"), + "anti-muon" => SubatomicSpecies("anti-muon", 1*u"q", __b_m_muon, __b_mu_muon, 0.5*u"ħ"), + "proton" => SubatomicSpecies("proton", 1*u"q", __b_m_proton, __b_mu_proton, 0.5*u"ħ"), + "positron" => SubatomicSpecies("positron", 1*u"q", __b_m_electron, __b_mu_electron, 0.5*u"ħ"), + "photon" => SubatomicSpecies("photon", 0*u"q", 0.0*u"MeV/c^2", 0.0*u"J/T", 0.0*u"ħ"), + "electron" => SubatomicSpecies("electron", -1*u"q", __b_m_electron, __b_mu_electron, 0.5*u"ħ"), + "anti-proton" => SubatomicSpecies("anti-proton", -1*u"q", __b_m_proton, __b_mu_proton, 0.5*u"ħ"), + "muon" => SubatomicSpecies("muon", -1*u"q", __b_m_muon, __b_mu_muon, 0.5*u"ħ"), + "pion-" => SubatomicSpecies("pion-", -1*u"q", __b_m_pion_charged, 0.0*u"J/T", 0.0*u"ħ"), + "anti-deuteron" => SubatomicSpecies("anti-deuteron", -1*u"q", __b_m_deuteron, __b_mu_deuteron, 1.0*u"ħ"), + "anti-neutron" => SubatomicSpecies("anti-neutron", 0*u"q", __b_m_neutron, __b_mu_neutron, 0.5*u"ħ") ) diff --git a/src/types.jl b/src/types.jl new file mode 100644 index 0000000..abd5331 --- /dev/null +++ b/src/types.jl @@ -0,0 +1,92 @@ +# types.Julia + +struct Species + name::String # name of the particle to track + charge::typeof(1u"q") # charge of the particle (important to consider ionized atoms) in [e] + mass::typeof(1.0u"MeV/c^2") # mass of the particle in [eV/c^2] + planck_spin::typeof(1.0u"ħ") # spin of the particle in [ħ] + moment::typeof(1.0u"J/T") # magnetic moment of the particle (for now it's 0 unless we have a recorded value) + iso::Int # if the particle is an atomic isotope, this is the mass number, otherwise 0 +end; +export Species +# The docstring for this struct is with its constructor, in the file +# src/constructors.jl + +##################################################################### +##################################################################### + +""" +SubtomicSpecies + +### Description: +> mutable struct to store all (possibly degenerate) information about a subatomic particle< + +### Fields: +- `species_name` -- String common name for (anti) baryon +- `charge` -- electric charge on the given particle in units of [e+] +- `mass` -- mass of the given particle in [eV/c^2] +- `mu` -- magnetic moment of particle in [eV/T] +- `spin` -- spin of the particle in [ħ] + +### Notes: +some parameters in this struct are likely named constants from PhysicalConstants.jl + +### Examples: +- `SubatomicSpecies("neutron", 0, m_neutron, anom_mag_moment_neutron, 0.5)` +- `SubatomicSpecies("pion-", -1, m_pion_charged, 0.0, 0.0)` +""" +SubatomicSpecies + +struct SubatomicSpecies + species_name::String # common species_name of the particle + charge::typeof(1.0u"q") # charge on the particle in units of e+ + mass::typeof(1.0u"MeV/c^2") # mass of the particle in [eV/c^2] + mu::typeof(1.0u"J/T") # anomalous magnetic moment + planck_spin::typeof(1.0u"ħ") # spin magnetic moment in [ħ] +end; + + +##################################################################### +##################################################################### + + +""" +Struct AtomicSpecies + +### Description: +> mutable struct to store all (possibly degenerate) information about a particular element< + +### Fields: +- `Z` -- Integer atomic number (i.e. protons in the nucleus) +- `species_name` -- String periodic table symbol for element +- `mass` -- > Dict{Int, Float64}(isotope::Int, mass::Float64) isotope masses + > key -1 refers to the average common atomic mass, other keys refer to + > the number of nucleons present in the isotope < + +### Examples: +- `AtomicSpeciesData(3, "Li", Dict(Int64, Float64)(-1 => 6.9675, 3 => 3.0308, 4 => 4.02719, + 5 => 5.012538, 6 => 6.0151228874, 7 => 7.0160034366, 8 => 8.022486246, 9 => 9.02679019, + 10 => 10.035483, 11 => 11.04372358, 12 => 12.052517, 13 => 13.06263))` +- `AtomicSpeciesData(47, "Ag", Dict(Int64, Float64)(-1 => 107.8682, 92 => 92.95033, + 93 => 93.94373, 94 => 94.93602, 95 => 95.930744, 96 => 96.92397, 97 => 97.92156, + 98 => 98.9176458, 99 => 99.9161154, 100 => 100.912684, 101 => 101.9117047, + 102 => 102.9089631, 103 => 103.9086239, 104 => 104.9065256, 105 => 105.9066636, + 106 => 106.9050916, 107 => 107.9059503, 108 => 108.9047553, 109 => 109.9061102, + 110 => 110.9052959, 111 => 111.9070486, 112 => 112.906573, 113 => 113.908823, + 114 => 114.908767, 115 => 115.9113868, 116 => 116.911774, 117 => 117.9145955, + 118 => 118.91557, 119 => 119.9187848, 120 => 120.920125, 121 => 121.923664, + 122 => 122.925337, 123 => 123.92893, 124 => 124.93105, 125 => 125.93475, + 126 => 126.93711, 127 => 127.94106, 128 => 128.94395, 129 => 129.9507))` +""" +AtomicSpecies + +struct AtomicSpecies + Z::Int # number of protons + species_name::String # periodic table element symbol + mass::Dict # a dict to store the masses, keyed by isotope + #= + keyvalue -1 => average mass of common isotopes [amu], + keyvalue n ∈ {0} ∪ N is the mass number of the isotope + => mass of that isotope [amu] + =# +end \ No newline at end of file diff --git a/src/update_constants.jl b/src/update_constants.jl index 0eb2edb..3f02077 100644 --- a/src/update_constants.jl +++ b/src/update_constants.jl @@ -10,31 +10,31 @@ fetched values so they can be written to file""" CODATA_Consts -CODATA_Consts = Dict{AbstractString,Dict{AbstractString,Float64}}( - "electron mass energy equivalent in MeV" => Dict("__b_m_electron" => __b_m_electron.val), - "proton mass energy equivalent in MeV" => Dict("__b_m_proton" => __b_m_proton.val), - "neutron mass energy equivalent in MeV" => Dict("__b_m_neutron" => __b_m_neutron.val), - "muon mass energy equivalent in MeV" => Dict("__b_m_muon" => __b_m_muon.val), - "helion mass energy equivalent in MeV" => Dict("__b_m_helion" => __b_m_helion.val), - "deuteron mass energy equivalent in MeV" => Dict("__b_m_deuteron" => __b_m_deuteron.val), - "speed of light in vacuum" => Dict("__b_c_light" => __b_c_light.val), - "Planck constant in eV/Hz" => Dict("__b_h_planck" => __b_h_planck.val), - "classical electron radius" => Dict("__b_r_e" => __b_r_e.val), +CODATA_Consts = Dict{AbstractString,Dict}( + "electron mass energy equivalent in MeV" => Dict("__b_m_electron" => __b_m_electron), + "proton mass energy equivalent in MeV" => Dict("__b_m_proton" => __b_m_proton), + "neutron mass energy equivalent in MeV" => Dict("__b_m_neutron" => __b_m_neutron), + "muon mass energy equivalent in MeV" => Dict("__b_m_muon" => __b_m_muon), + "helion mass energy equivalent in MeV" => Dict("__b_m_helion" => __b_m_helion), + "deuteron mass energy equivalent in MeV" => Dict("__b_m_deuteron" => __b_m_deuteron), + "deuteron mag. mom." => Dict("__b_mu_deuteron" => __b_mu_deuteron), + "electron mag. mom." => Dict("__b_mu_electron" => __b_mu_electron), + "helion mag. mom." => Dict("__b_mu_helion" => __b_mu_helion), + "muon mag. mom." => Dict("__b_mu_muon" => __b_mu_muon), + "neutron mag. mom." => Dict("__b_mu_neutron" => __b_mu_neutron), + "proton mag. mom." => Dict("__b_mu_proton" => __b_mu_proton), + "triton mag. mom." => Dict("__b_mu_triton" => __b_mu_triton), + "classical electron radius" => Dict("__b_r_e" => __b_r_e), + "speed of light in vacuum" => Dict("__b_c_light" => __b_c_light), + "Planck constant in eV/Hz" => Dict("__b_h_planck" => __b_h_planck), "Avogadro constant" => Dict("__b_N_avogadro" => __b_N_avogadro), - "vacuum electric permittivity" => Dict("__b_eps_0_vac" => __b_eps_0_vac.val), - "vacuum mag. permeability" => Dict("__b_mu_0_vac" => __b_mu_0_vac.val), + "vacuum electric permittivity" => Dict("__b_eps_0_vac" => __b_eps_0_vac), + "vacuum mag. permeability" => Dict("__b_mu_0_vac" => __b_mu_0_vac), "fine-structure constant" => Dict("__b_fine_structure" => __b_fine_structure), - "deuteron mag. mom." => Dict("__b_mu_deuteron" => __b_mu_deuteron.val), - "electron mag. mom." => Dict("__b_mu_electron" => __b_mu_electron.val), - "helion mag. mom." => Dict("__b_mu_helion" => __b_mu_helion.val), - "muon mag. mom." => Dict("__b_mu_muon" => __b_mu_muon.val), - "neutron mag. mom." => Dict("__b_mu_neutron" => __b_mu_neutron.val), - "proton mag. mom." => Dict("__b_mu_proton" => __b_mu_proton.val), - "triton mag. mom." => Dict("__b_mu_triton" => __b_mu_triton.val), - "elementary charge" => Dict("__b_e_charge" => __b_e_charge.val), - "atomic mass unit-kilogram relationship" => Dict("__b_kg_per_amu" => __b_kg_per_amu.val), - "atomic mass unit-electron volt relationship" => Dict("__b_eV_per_amu" => __b_eV_per_amu.val), - "electron volt-joule relationship" => Dict("__b_J_per_eV" => __b_J_per_eV.val) + "elementary charge" => Dict("__b_e_charge" => __b_e_charge), + "atomic mass unit-kilogram relationship" => Dict("__b_kg_per_amu" => __b_kg_per_amu), + "atomic mass unit-electron volt relationship" => Dict("__b_eV_per_amu" => __b_eV_per_amu), + "electron volt-joule relationship" => Dict("__b_J_per_eV" => __b_J_per_eV) ) @@ -92,13 +92,39 @@ function getCODATA(path::String, CODATA_Consts::Dict) end + if occursin("mag. mom.", line[1]) == true + CODATA_Consts[line[1]][first(keys(CODATA_Consts[line[1]]))] = parse(Float64, line[2]) * u"J/T" - if line[1] == "unified atomic mass unit" - CODATA_Consts[line[1]]["atomic_mass_unit"] = kg_to_ev * parse(Float64, line[2]) - elseif occursin(line[1], "mag. mom.") == true - CODATA_Consts[line[1]][first(keys(CODATA_Consts[line[1]]))] = parse(Float64, line[2]) / __b_J_per_eV elseif occursin("MeV", line[1]) - CODATA_Consts[line[1]][first(keys(CODATA_Consts[line[1]]))] = parse(Float64, line[2]) * 1e6 + CODATA_Consts[line[1]][first(keys(CODATA_Consts[line[1]]))] = parse(Float64, line[2]) * u"MeV/c^2" + + elseif occursin("relationship", line[1]) + if occursin("joule") == true + CODATA_Consts[line[1]][first(keys(CODATA_Consts[line[1]]))] = parse(Float64, line[2]) * u"J/eV" + elseif occursin("kilogram") == true + CODATA_Consts[line[1]][first(keys(CODATA_Consts[line[1]]))] = parse(Float64, line[2]) * u"kg/amu" + else + CODATA_Consts[line[1]][first(keys(CODATA_Consts[line[1]]))] = parse(Float64, line[2]) * u"(eV/c^2)/amu" + end + + elseif occursin("radius", line[1]) + CODATA_Consts[line[1]][first(keys(CODATA_Consts[line[1]]))] = parse(Float64, line[2]) * u"m" + + elseif occursin("light", line[1]) + CODATA_Consts[line[1]][first(keys(CODATA_Consts[line[1]]))] = parse(Float64, line[2]) * u"m/s" + + elseif occursin("Planck", line[1]) + CODATA_Consts[line[1]][first(keys(CODATA_Consts[line[1]]))] = parse(Float64, line[2]) * u"eV/Hz" + + elseif occursin("permittivity", line[1]) + CODATA_Consts[line[1]][first(keys(CODATA_Consts[line[1]]))] = parse(Float64, line[2]) * u"F/m" + + elseif occursin("permeability", line[1]) + CODATA_Consts[line[1]][first(keys(CODATA_Consts[line[1]]))] = parse(Float64, line[2]) * u"N/A^2" + + elseif occursin("elementary", line[1]) + CODATA_Consts[line[1]][first(keys(CODATA_Consts[line[1]]))] = parse(Float64, line[2]) * u"C" + else CODATA_Consts[line[1]][first(keys(CODATA_Consts[line[1]]))] = parse(Float64, line[2]) end @@ -124,7 +150,7 @@ writeCODATA function writeCODATA(year::Int, new_consts) yearregex = r"[1-2][0-9][0-9][-0-9]" - f = open(pwd() * "/src/physical_constants.jl", "r") + f = open(pwd() * "/src/constants.jl", "r") everyline = readlines(f) newf = open(pwd() * f"/src/{year}_constants.jl", "a+") newlines = [] @@ -171,7 +197,7 @@ function writeCODATA(year::Int, new_consts) if line == "\n" println(newf, "\n") elseif line[1] == "#" - line = join(pushfirst!(line, repeat(" ", 28)), " ") + line = join(line, " ") println(newf, line) else newl = join(line, " ") diff --git a/src/update_iso_masses.jl b/src/update_isos.jl similarity index 84% rename from src/update_iso_masses.jl rename to src/update_isos.jl index 78ece62..023bfbf 100644 --- a/src/update_iso_masses.jl +++ b/src/update_isos.jl @@ -93,10 +93,10 @@ function writeIsos(Elements::Dict{Int64, AtomicSpecies}) date = today() Z_eles = 1:1:118 - topmat = """# AtomicAndPhysicalConstants.jl/src/AtomicIsotopes.jl\n\n\n\n""" - brek = """\n\n\n# -------------------------------------------------------\n\n\n\n""" + topmat = f"""\n# AtomicAndPhysicalConstants.jl/src/{date}_isotopes.jl\n\n\n""" + brek = """#########################################################\n\n\n""" qs = '"' - docplus = qs*qs*qs*"""Atomic_Particles \n\ + docplus = qs*qs*qs*"""ATOMIC_SPECIES \n\ Isotopes from NIST data $date \n\ a dictionary of all the available atomic species, \n\ with all the NIST isotopes included; \n\ @@ -104,11 +104,11 @@ function writeIsos(Elements::Dict{Int64, AtomicSpecies}) n the periodic table, and the value is the relevant \n\ AtomicSpecies struct, _eg_ \n\ \n\ - Atomic_Particles["He"] = AtomicSpecies(2, "He", ...)"""*qs*qs*qs*" Atomic_Particles \n\ + ATOMIC_SPECIES["He"] = AtomicSpecies(2, "He", ...)"""*qs*qs*qs*" ATOMIC_SPECIES \n\ \n\ - Atomic_Particles = Dict{String, AtomicSpecies}(\n" + ATOMIC_SPECIES = Dict{String, AtomicSpecies}(\n" - f = open(pwd() * f"/src/{date}_AtomicIsotopes.jl", "w") + f = open(pwd() * f"/src/{date}_isotopes.jl", "w") write(f, topmat) write(f, brek) write(f, docplus) @@ -117,13 +117,20 @@ function writeIsos(Elements::Dict{Int64, AtomicSpecies}) nlen = length(sym) space = repeat(" ", 7-nlen) - atom_entry = qs*Elements[Z].species_name*qs*space*f"=> {Elements[Z]}" + atom_entry = qs*Elements[Z].species_name*qs*space#*f"=> {Elements[Z]}" + atom_entry *= f"=> AtomicSpecies({Elements[Z].Z}," + atom_entry *= f""" "{Elements[Z].species_name}", """ + atom_entry *= "Dict{}(" + for (k, v) in Elements[Z].mass + atom_entry *= f"""{k} => {v}*u"amu", """ + end + atom_entry *= "))" write(f, atom_entry) if Z < 118 write(f, ",\n\n") else - write(f, "\n); export Atomic_Particles") + write(f, "\n); export ATOMIC_SPECIES") end end diff --git a/src/update_pion_mass.jl b/src/update_pion_mass.jl index 1373713..1f9b8d8 100644 --- a/src/update_pion_mass.jl +++ b/src/update_pion_mass.jl @@ -14,7 +14,7 @@ function download_pdg_pion_masses() # the information of the mass is only at 1 for i in [1] - mass[info["summaries"]["properties"][i]["description"]] = info["summaries"]["properties"][i]["pdg_values"][1]["value"]*10^6 + mass[info["summaries"]["properties"][i]["description"]] = info["summaries"]["properties"][i]["pdg_values"][1]["value"] end # extracting informations from the S008 json file @@ -24,10 +24,10 @@ function download_pdg_pion_masses() # the information of the mass is only at 1 for i in [1] - mass[info["summaries"]["properties"][i]["description"]] = info["summaries"]["properties"][i]["pdg_values"][1]["value"]*10^6 + mass[info["summaries"]["properties"][i]["description"]] = info["summaries"]["properties"][i]["pdg_values"][1]["value"] end # return the mass of pion 0, pion +, pion - - return [mass["pi0 MASS"],mass["pi+- MASS"]] + return [mass["pi0 MASS"]*u"MeV/c^2",mass["pi+- MASS"]*u"MeV/c^2"] end \ No newline at end of file