SIRIUS 7.5.0
Electronic structure library and applications
atomic_data.hpp
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1// Warning! This is an automatically generated header file!
2/** \file atomic_data.hpp
3 * \brief Basic atomic data information.
4 */
5
6#ifndef __ATOMIC_DATA_HPP__
7#define __ATOMIC_DATA_HPP__
8
9#include <string>
10#include <vector>
11#include <map>
12
13/// Describes single atomic level.
14struct atomic_level_descriptor
15{
16 /// Principal quantum number.
17 int n;
18
19 /// Angular momentum quantum number.
20 int l;
21
22 /// Quantum number k.
23 int k;
24
25 /// Level occupancy.
26 double occupancy;
27
28 /// True if this is a core level.
29 bool core{false};
30};
31
32const std::vector<std::string> atomic_symb = {
33 "H", "He", "Li", "Be", "B", "C", "N", "O", "F", "Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca", "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As", "Se", "Br", "Kr", "Rb", "Sr", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Ag", "Cd", "In", "Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "At", "Rn", "Fr", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es", "Fm", "Md", "No", "Lr", "Rf"
34};
35
36const std::vector<std::string> atomic_name = {
37 "hydrogen", "helium", "lithium", "beryllium", "boron", "carbon", "nitrogen", "oxygen", "fluorine", "neon", "sodium", "magnesium", "aluminium", "silicon", "phosphorus", "sulphur", "chlorine", "argon", "potassium", "calcium", "scandium", "titanium", "vanadium", "chromium", "manganese", "iron", "cobalt", "nickel", "copper", "zinc", "gallium", "germanium", "arsenic", "selenium", "bromine", "krypton", "rubidium", "strontium", "yttrium", "zirconium", "niobium", "molybdenum", "technetium", "ruthenium", "rhodium", "palladium", "silver", "cadmium", "indium", "tin", "antimony", "tellurium", "iodine", "xenon", "cesium", "barium", "lanthanum", "cerium", "praseodymium", "neodymium", "promethium", "samarium", "europium", "gadolinium", "terbium", "dysprosium", "holmium", "erbium", "thulium", "ytterbium", "lutetium", "hafnium", "tantalum", "tungsten", "rhenium", "osmium", "iridium", "platinum", "gold", "mercury", "thallium", "lead", "bismuth", "polonium", "astatine", "radon", "francium", "radium", "actinium", "thorium", "protactinium", "uranium", "neptunium", "plutonium", "americium", "curium", "berkelium", "californium", "einsteinium", "fermium", "mendelevium", "nobelium", "lawrencium", "rutherfordium"
38};
39
40const std::map<std::string, int> atomic_zn = {
41 {"H", 1}, {"He", 2}, {"Li", 3}, {"Be", 4}, {"B", 5}, {"C", 6}, {"N", 7}, {"O", 8}, {"F", 9}, {"Ne", 10}, {"Na", 11}, {"Mg", 12}, {"Al", 13}, {"Si", 14}, {"P", 15}, {"S", 16}, {"Cl", 17}, {"Ar", 18}, {"K", 19}, {"Ca", 20}, {"Sc", 21}, {"Ti", 22}, {"V", 23}, {"Cr", 24}, {"Mn", 25}, {"Fe", 26}, {"Co", 27}, {"Ni", 28}, {"Cu", 29}, {"Zn", 30}, {"Ga", 31}, {"Ge", 32}, {"As", 33}, {"Se", 34}, {"Br", 35}, {"Kr", 36}, {"Rb", 37}, {"Sr", 38}, {"Y", 39}, {"Zr", 40}, {"Nb", 41}, {"Mo", 42}, {"Tc", 43}, {"Ru", 44}, {"Rh", 45}, {"Pd", 46}, {"Ag", 47}, {"Cd", 48}, {"In", 49}, {"Sn", 50}, {"Sb", 51}, {"Te", 52}, {"I", 53}, {"Xe", 54}, {"Cs", 55}, {"Ba", 56}, {"La", 57}, {"Ce", 58}, {"Pr", 59}, {"Nd", 60}, {"Pm", 61}, {"Sm", 62}, {"Eu", 63}, {"Gd", 64}, {"Tb", 65}, {"Dy", 66}, {"Ho", 67}, {"Er", 68}, {"Tm", 69}, {"Yb", 70}, {"Lu", 71}, {"Hf", 72}, {"Ta", 73}, {"W", 74}, {"Re", 75}, {"Os", 76}, {"Ir", 77}, {"Pt", 78}, {"Au", 79}, {"Hg", 80}, {"Tl", 81}, {"Pb", 82}, {"Bi", 83}, {"Po", 84}, {"At", 85}, {"Rn", 86}, {"Fr", 87}, {"Ra", 88}, {"Ac", 89}, {"Th", 90}, {"Pa", 91}, {"U", 92}, {"Np", 93}, {"Pu", 94}, {"Am", 95}, {"Cm", 96}, {"Bk", 97}, {"Cf", 98}, {"Es", 99}, {"Fm", 100}, {"Md", 101}, {"No", 102}, {"Lr", 103}, {"Rf", 104}
42};
43
44const std::vector<std::vector<atomic_level_descriptor>> atomic_conf = {
45 { // H, z = 1
46 {1, 0, 1, 1.000000},
47 },
48 { // He, z = 2
49 {1, 0, 1, 2.000000},
50 },
51 { // Li, z = 3
52 {1, 0, 1, 2.000000},
53 {2, 0, 1, 1.000000},
54 },
55 { // Be, z = 4
56 {1, 0, 1, 2.000000},
57 {2, 0, 1, 2.000000},
58 },
59 { // B, z = 5
60 {1, 0, 1, 2.000000},
61 {2, 0, 1, 2.000000},
62 {2, 1, 1, 1.000000},
63 },
64 { // C, z = 6
65 {1, 0, 1, 2.000000},
66 {2, 0, 1, 2.000000},
67 {2, 1, 1, 1.000000},
68 {2, 1, 2, 1.000000},
69 },
70 { // N, z = 7
71 {1, 0, 1, 2.000000},
72 {2, 0, 1, 2.000000},
73 {2, 1, 1, 1.000000},
74 {2, 1, 2, 2.000000},
75 },
76 { // O, z = 8
77 {1, 0, 1, 2.000000},
78 {2, 0, 1, 2.000000},
79 {2, 1, 1, 2.000000},
80 {2, 1, 2, 2.000000},
81 },
82 { // F, z = 9
83 {1, 0, 1, 2.000000},
84 {2, 0, 1, 2.000000},
85 {2, 1, 1, 2.000000},
86 {2, 1, 2, 3.000000},
87 },
88 { // Ne, z = 10
89 {1, 0, 1, 2.000000},
90 {2, 0, 1, 2.000000},
91 {2, 1, 1, 2.000000},
92 {2, 1, 2, 4.000000},
93 },
94 { // Na, z = 11
95 {1, 0, 1, 2.000000},
96 {2, 0, 1, 2.000000},
97 {2, 1, 1, 2.000000},
98 {2, 1, 2, 4.000000},
99 {3, 0, 1, 1.000000},
100 },
101 { // Mg, z = 12
102 {1, 0, 1, 2.000000},
103 {2, 0, 1, 2.000000},
104 {2, 1, 1, 2.000000},
105 {2, 1, 2, 4.000000},
106 {3, 0, 1, 2.000000},
107 },
108 { // Al, z = 13
109 {1, 0, 1, 2.000000},
110 {2, 0, 1, 2.000000},
111 {2, 1, 1, 2.000000},
112 {2, 1, 2, 4.000000},
113 {3, 0, 1, 2.000000},
114 {3, 1, 1, 1.000000},
115 },
116 { // Si, z = 14
117 {1, 0, 1, 2.000000},
118 {2, 0, 1, 2.000000},
119 {2, 1, 1, 2.000000},
120 {2, 1, 2, 4.000000},
121 {3, 0, 1, 2.000000},
122 {3, 1, 1, 1.000000},
123 {3, 1, 2, 1.000000},
124 },
125 { // P, z = 15
126 {1, 0, 1, 2.000000},
127 {2, 0, 1, 2.000000},
128 {2, 1, 1, 2.000000},
129 {2, 1, 2, 4.000000},
130 {3, 0, 1, 2.000000},
131 {3, 1, 1, 1.000000},
132 {3, 1, 2, 2.000000},
133 },
134 { // S, z = 16
135 {1, 0, 1, 2.000000},
136 {2, 0, 1, 2.000000},
137 {2, 1, 1, 2.000000},
138 {2, 1, 2, 4.000000},
139 {3, 0, 1, 2.000000},
140 {3, 1, 1, 2.000000},
141 {3, 1, 2, 2.000000},
142 },
143 { // Cl, z = 17
144 {1, 0, 1, 2.000000},
145 {2, 0, 1, 2.000000},
146 {2, 1, 1, 2.000000},
147 {2, 1, 2, 4.000000},
148 {3, 0, 1, 2.000000},
149 {3, 1, 1, 2.000000},
150 {3, 1, 2, 3.000000},
151 },
152 { // Ar, z = 18
153 {1, 0, 1, 2.000000},
154 {2, 0, 1, 2.000000},
155 {2, 1, 1, 2.000000},
156 {2, 1, 2, 4.000000},
157 {3, 0, 1, 2.000000},
158 {3, 1, 1, 2.000000},
159 {3, 1, 2, 4.000000},
160 },
161 { // K, z = 19
162 {1, 0, 1, 2.000000},
163 {2, 0, 1, 2.000000},
164 {2, 1, 1, 2.000000},
165 {2, 1, 2, 4.000000},
166 {3, 0, 1, 2.000000},
167 {3, 1, 1, 2.000000},
168 {3, 1, 2, 4.000000},
169 {4, 0, 1, 1.000000},
170 },
171 { // Ca, z = 20
172 {1, 0, 1, 2.000000},
173 {2, 0, 1, 2.000000},
174 {2, 1, 1, 2.000000},
175 {2, 1, 2, 4.000000},
176 {3, 0, 1, 2.000000},
177 {3, 1, 1, 2.000000},
178 {3, 1, 2, 4.000000},
179 {4, 0, 1, 2.000000},
180 },
181 { // Sc, z = 21
182 {1, 0, 1, 2.000000},
183 {2, 0, 1, 2.000000},
184 {2, 1, 1, 2.000000},
185 {2, 1, 2, 4.000000},
186 {3, 0, 1, 2.000000},
187 {3, 1, 1, 2.000000},
188 {3, 1, 2, 4.000000},
189 {3, 2, 2, 1.000000},
190 {4, 0, 1, 2.000000},
191 },
192 { // Ti, z = 22
193 {1, 0, 1, 2.000000},
194 {2, 0, 1, 2.000000},
195 {2, 1, 1, 2.000000},
196 {2, 1, 2, 4.000000},
197 {3, 0, 1, 2.000000},
198 {3, 1, 1, 2.000000},
199 {3, 1, 2, 4.000000},
200 {3, 2, 2, 2.000000},
201 {4, 0, 1, 2.000000},
202 },
203 { // V, z = 23
204 {1, 0, 1, 2.000000},
205 {2, 0, 1, 2.000000},
206 {2, 1, 1, 2.000000},
207 {2, 1, 2, 4.000000},
208 {3, 0, 1, 2.000000},
209 {3, 1, 1, 2.000000},
210 {3, 1, 2, 4.000000},
211 {3, 2, 2, 3.000000},
212 {4, 0, 1, 2.000000},
213 },
214 { // Cr, z = 24
215 {1, 0, 1, 2.000000},
216 {2, 0, 1, 2.000000},
217 {2, 1, 1, 2.000000},
218 {2, 1, 2, 4.000000},
219 {3, 0, 1, 2.000000},
220 {3, 1, 1, 2.000000},
221 {3, 1, 2, 4.000000},
222 {3, 2, 2, 3.000000},
223 {3, 2, 3, 2.000000},
224 {4, 0, 1, 1.000000},
225 },
226 { // Mn, z = 25
227 {1, 0, 1, 2.000000},
228 {2, 0, 1, 2.000000},
229 {2, 1, 1, 2.000000},
230 {2, 1, 2, 4.000000},
231 {3, 0, 1, 2.000000},
232 {3, 1, 1, 2.000000},
233 {3, 1, 2, 4.000000},
234 {3, 2, 2, 3.000000},
235 {3, 2, 3, 2.000000},
236 {4, 0, 1, 2.000000},
237 },
238 { // Fe, z = 26
239 {1, 0, 1, 2.000000},
240 {2, 0, 1, 2.000000},
241 {2, 1, 1, 2.000000},
242 {2, 1, 2, 4.000000},
243 {3, 0, 1, 2.000000},
244 {3, 1, 1, 2.000000},
245 {3, 1, 2, 4.000000},
246 {3, 2, 2, 4.000000},
247 {3, 2, 3, 2.000000},
248 {4, 0, 1, 2.000000},
249 },
250 { // Co, z = 27
251 {1, 0, 1, 2.000000},
252 {2, 0, 1, 2.000000},
253 {2, 1, 1, 2.000000},
254 {2, 1, 2, 4.000000},
255 {3, 0, 1, 2.000000},
256 {3, 1, 1, 2.000000},
257 {3, 1, 2, 4.000000},
258 {3, 2, 2, 4.000000},
259 {3, 2, 3, 3.000000},
260 {4, 0, 1, 2.000000},
261 },
262 { // Ni, z = 28
263 {1, 0, 1, 2.000000},
264 {2, 0, 1, 2.000000},
265 {2, 1, 1, 2.000000},
266 {2, 1, 2, 4.000000},
267 {3, 0, 1, 2.000000},
268 {3, 1, 1, 2.000000},
269 {3, 1, 2, 4.000000},
270 {3, 2, 2, 4.000000},
271 {3, 2, 3, 4.000000},
272 {4, 0, 1, 2.000000},
273 },
274 { // Cu, z = 29
275 {1, 0, 1, 2.000000},
276 {2, 0, 1, 2.000000},
277 {2, 1, 1, 2.000000},
278 {2, 1, 2, 4.000000},
279 {3, 0, 1, 2.000000},
280 {3, 1, 1, 2.000000},
281 {3, 1, 2, 4.000000},
282 {3, 2, 2, 4.000000},
283 {3, 2, 3, 6.000000},
284 {4, 0, 1, 1.000000},
285 },
286 { // Zn, z = 30
287 {1, 0, 1, 2.000000},
288 {2, 0, 1, 2.000000},
289 {2, 1, 1, 2.000000},
290 {2, 1, 2, 4.000000},
291 {3, 0, 1, 2.000000},
292 {3, 1, 1, 2.000000},
293 {3, 1, 2, 4.000000},
294 {3, 2, 2, 4.000000},
295 {3, 2, 3, 6.000000},
296 {4, 0, 1, 2.000000},
297 },
298 { // Ga, z = 31
299 {1, 0, 1, 2.000000},
300 {2, 0, 1, 2.000000},
301 {2, 1, 1, 2.000000},
302 {2, 1, 2, 4.000000},
303 {3, 0, 1, 2.000000},
304 {3, 1, 1, 2.000000},
305 {3, 1, 2, 4.000000},
306 {3, 2, 2, 4.000000},
307 {3, 2, 3, 6.000000},
308 {4, 0, 1, 2.000000},
309 {4, 1, 1, 1.000000},
310 },
311 { // Ge, z = 32
312 {1, 0, 1, 2.000000},
313 {2, 0, 1, 2.000000},
314 {2, 1, 1, 2.000000},
315 {2, 1, 2, 4.000000},
316 {3, 0, 1, 2.000000},
317 {3, 1, 1, 2.000000},
318 {3, 1, 2, 4.000000},
319 {3, 2, 2, 4.000000},
320 {3, 2, 3, 6.000000},
321 {4, 0, 1, 2.000000},
322 {4, 1, 1, 1.000000},
323 {4, 1, 2, 1.000000},
324 },
325 { // As, z = 33
326 {1, 0, 1, 2.000000},
327 {2, 0, 1, 2.000000},
328 {2, 1, 1, 2.000000},
329 {2, 1, 2, 4.000000},
330 {3, 0, 1, 2.000000},
331 {3, 1, 1, 2.000000},
332 {3, 1, 2, 4.000000},
333 {3, 2, 2, 4.000000},
334 {3, 2, 3, 6.000000},
335 {4, 0, 1, 2.000000},
336 {4, 1, 1, 1.000000},
337 {4, 1, 2, 2.000000},
338 },
339 { // Se, z = 34
340 {1, 0, 1, 2.000000},
341 {2, 0, 1, 2.000000},
342 {2, 1, 1, 2.000000},
343 {2, 1, 2, 4.000000},
344 {3, 0, 1, 2.000000},
345 {3, 1, 1, 2.000000},
346 {3, 1, 2, 4.000000},
347 {3, 2, 2, 4.000000},
348 {3, 2, 3, 6.000000},
349 {4, 0, 1, 2.000000},
350 {4, 1, 1, 2.000000},
351 {4, 1, 2, 2.000000},
352 },
353 { // Br, z = 35
354 {1, 0, 1, 2.000000},
355 {2, 0, 1, 2.000000},
356 {2, 1, 1, 2.000000},
357 {2, 1, 2, 4.000000},
358 {3, 0, 1, 2.000000},
359 {3, 1, 1, 2.000000},
360 {3, 1, 2, 4.000000},
361 {3, 2, 2, 4.000000},
362 {3, 2, 3, 6.000000},
363 {4, 0, 1, 2.000000},
364 {4, 1, 1, 2.000000},
365 {4, 1, 2, 3.000000},
366 },
367 { // Kr, z = 36
368 {1, 0, 1, 2.000000},
369 {2, 0, 1, 2.000000},
370 {2, 1, 1, 2.000000},
371 {2, 1, 2, 4.000000},
372 {3, 0, 1, 2.000000},
373 {3, 1, 1, 2.000000},
374 {3, 1, 2, 4.000000},
375 {3, 2, 2, 4.000000},
376 {3, 2, 3, 6.000000},
377 {4, 0, 1, 2.000000},
378 {4, 1, 1, 2.000000},
379 {4, 1, 2, 4.000000},
380 },
381 { // Rb, z = 37
382 {1, 0, 1, 2.000000},
383 {2, 0, 1, 2.000000},
384 {2, 1, 1, 2.000000},
385 {2, 1, 2, 4.000000},
386 {3, 0, 1, 2.000000},
387 {3, 1, 1, 2.000000},
388 {3, 1, 2, 4.000000},
389 {3, 2, 2, 4.000000},
390 {3, 2, 3, 6.000000},
391 {4, 0, 1, 2.000000},
392 {4, 1, 1, 2.000000},
393 {4, 1, 2, 4.000000},
394 {5, 0, 1, 1.000000},
395 },
396 { // Sr, z = 38
397 {1, 0, 1, 2.000000},
398 {2, 0, 1, 2.000000},
399 {2, 1, 1, 2.000000},
400 {2, 1, 2, 4.000000},
401 {3, 0, 1, 2.000000},
402 {3, 1, 1, 2.000000},
403 {3, 1, 2, 4.000000},
404 {3, 2, 2, 4.000000},
405 {3, 2, 3, 6.000000},
406 {4, 0, 1, 2.000000},
407 {4, 1, 1, 2.000000},
408 {4, 1, 2, 4.000000},
409 {5, 0, 1, 2.000000},
410 },
411 { // Y, z = 39
412 {1, 0, 1, 2.000000},
413 {2, 0, 1, 2.000000},
414 {2, 1, 1, 2.000000},
415 {2, 1, 2, 4.000000},
416 {3, 0, 1, 2.000000},
417 {3, 1, 1, 2.000000},
418 {3, 1, 2, 4.000000},
419 {3, 2, 2, 4.000000},
420 {3, 2, 3, 6.000000},
421 {4, 0, 1, 2.000000},
422 {4, 1, 1, 2.000000},
423 {4, 1, 2, 4.000000},
424 {4, 2, 2, 1.000000},
425 {5, 0, 1, 2.000000},
426 },
427 { // Zr, z = 40
428 {1, 0, 1, 2.000000},
429 {2, 0, 1, 2.000000},
430 {2, 1, 1, 2.000000},
431 {2, 1, 2, 4.000000},
432 {3, 0, 1, 2.000000},
433 {3, 1, 1, 2.000000},
434 {3, 1, 2, 4.000000},
435 {3, 2, 2, 4.000000},
436 {3, 2, 3, 6.000000},
437 {4, 0, 1, 2.000000},
438 {4, 1, 1, 2.000000},
439 {4, 1, 2, 4.000000},
440 {4, 2, 2, 2.000000},
441 {5, 0, 1, 2.000000},
442 },
443 { // Nb, z = 41
444 {1, 0, 1, 2.000000},
445 {2, 0, 1, 2.000000},
446 {2, 1, 1, 2.000000},
447 {2, 1, 2, 4.000000},
448 {3, 0, 1, 2.000000},
449 {3, 1, 1, 2.000000},
450 {3, 1, 2, 4.000000},
451 {3, 2, 2, 4.000000},
452 {3, 2, 3, 6.000000},
453 {4, 0, 1, 2.000000},
454 {4, 1, 1, 2.000000},
455 {4, 1, 2, 4.000000},
456 {4, 2, 2, 3.000000},
457 {4, 2, 3, 1.000000},
458 {5, 0, 1, 1.000000},
459 },
460 { // Mo, z = 42
461 {1, 0, 1, 2.000000},
462 {2, 0, 1, 2.000000},
463 {2, 1, 1, 2.000000},
464 {2, 1, 2, 4.000000},
465 {3, 0, 1, 2.000000},
466 {3, 1, 1, 2.000000},
467 {3, 1, 2, 4.000000},
468 {3, 2, 2, 4.000000},
469 {3, 2, 3, 6.000000},
470 {4, 0, 1, 2.000000},
471 {4, 1, 1, 2.000000},
472 {4, 1, 2, 4.000000},
473 {4, 2, 2, 3.000000},
474 {4, 2, 3, 2.000000},
475 {5, 0, 1, 1.000000},
476 },
477 { // Tc, z = 43
478 {1, 0, 1, 2.000000},
479 {2, 0, 1, 2.000000},
480 {2, 1, 1, 2.000000},
481 {2, 1, 2, 4.000000},
482 {3, 0, 1, 2.000000},
483 {3, 1, 1, 2.000000},
484 {3, 1, 2, 4.000000},
485 {3, 2, 2, 4.000000},
486 {3, 2, 3, 6.000000},
487 {4, 0, 1, 2.000000},
488 {4, 1, 1, 2.000000},
489 {4, 1, 2, 4.000000},
490 {4, 2, 2, 4.000000},
491 {4, 2, 3, 1.000000},
492 {5, 0, 1, 2.000000},
493 },
494 { // Ru, z = 44
495 {1, 0, 1, 2.000000},
496 {2, 0, 1, 2.000000},
497 {2, 1, 1, 2.000000},
498 {2, 1, 2, 4.000000},
499 {3, 0, 1, 2.000000},
500 {3, 1, 1, 2.000000},
501 {3, 1, 2, 4.000000},
502 {3, 2, 2, 4.000000},
503 {3, 2, 3, 6.000000},
504 {4, 0, 1, 2.000000},
505 {4, 1, 1, 2.000000},
506 {4, 1, 2, 4.000000},
507 {4, 2, 2, 4.000000},
508 {4, 2, 3, 3.000000},
509 {5, 0, 1, 1.000000},
510 },
511 { // Rh, z = 45
512 {1, 0, 1, 2.000000},
513 {2, 0, 1, 2.000000},
514 {2, 1, 1, 2.000000},
515 {2, 1, 2, 4.000000},
516 {3, 0, 1, 2.000000},
517 {3, 1, 1, 2.000000},
518 {3, 1, 2, 4.000000},
519 {3, 2, 2, 4.000000},
520 {3, 2, 3, 6.000000},
521 {4, 0, 1, 2.000000},
522 {4, 1, 1, 2.000000},
523 {4, 1, 2, 4.000000},
524 {4, 2, 2, 4.000000},
525 {4, 2, 3, 4.000000},
526 {5, 0, 1, 1.000000},
527 },
528 { // Pd, z = 46
529 {1, 0, 1, 2.000000},
530 {2, 0, 1, 2.000000},
531 {2, 1, 1, 2.000000},
532 {2, 1, 2, 4.000000},
533 {3, 0, 1, 2.000000},
534 {3, 1, 1, 2.000000},
535 {3, 1, 2, 4.000000},
536 {3, 2, 2, 4.000000},
537 {3, 2, 3, 6.000000},
538 {4, 0, 1, 2.000000},
539 {4, 1, 1, 2.000000},
540 {4, 1, 2, 4.000000},
541 {4, 2, 2, 4.000000},
542 {4, 2, 3, 6.000000},
543 },
544 { // Ag, z = 47
545 {1, 0, 1, 2.000000},
546 {2, 0, 1, 2.000000},
547 {2, 1, 1, 2.000000},
548 {2, 1, 2, 4.000000},
549 {3, 0, 1, 2.000000},
550 {3, 1, 1, 2.000000},
551 {3, 1, 2, 4.000000},
552 {3, 2, 2, 4.000000},
553 {3, 2, 3, 6.000000},
554 {4, 0, 1, 2.000000},
555 {4, 1, 1, 2.000000},
556 {4, 1, 2, 4.000000},
557 {4, 2, 2, 4.000000},
558 {4, 2, 3, 6.000000},
559 {5, 0, 1, 1.000000},
560 },
561 { // Cd, z = 48
562 {1, 0, 1, 2.000000},
563 {2, 0, 1, 2.000000},
564 {2, 1, 1, 2.000000},
565 {2, 1, 2, 4.000000},
566 {3, 0, 1, 2.000000},
567 {3, 1, 1, 2.000000},
568 {3, 1, 2, 4.000000},
569 {3, 2, 2, 4.000000},
570 {3, 2, 3, 6.000000},
571 {4, 0, 1, 2.000000},
572 {4, 1, 1, 2.000000},
573 {4, 1, 2, 4.000000},
574 {4, 2, 2, 4.000000},
575 {4, 2, 3, 6.000000},
576 {5, 0, 1, 2.000000},
577 },
578 { // In, z = 49
579 {1, 0, 1, 2.000000},
580 {2, 0, 1, 2.000000},
581 {2, 1, 1, 2.000000},
582 {2, 1, 2, 4.000000},
583 {3, 0, 1, 2.000000},
584 {3, 1, 1, 2.000000},
585 {3, 1, 2, 4.000000},
586 {3, 2, 2, 4.000000},
587 {3, 2, 3, 6.000000},
588 {4, 0, 1, 2.000000},
589 {4, 1, 1, 2.000000},
590 {4, 1, 2, 4.000000},
591 {4, 2, 2, 4.000000},
592 {4, 2, 3, 6.000000},
593 {5, 0, 1, 2.000000},
594 {5, 1, 1, 1.000000},
595 },
596 { // Sn, z = 50
597 {1, 0, 1, 2.000000},
598 {2, 0, 1, 2.000000},
599 {2, 1, 1, 2.000000},
600 {2, 1, 2, 4.000000},
601 {3, 0, 1, 2.000000},
602 {3, 1, 1, 2.000000},
603 {3, 1, 2, 4.000000},
604 {3, 2, 2, 4.000000},
605 {3, 2, 3, 6.000000},
606 {4, 0, 1, 2.000000},
607 {4, 1, 1, 2.000000},
608 {4, 1, 2, 4.000000},
609 {4, 2, 2, 4.000000},
610 {4, 2, 3, 6.000000},
611 {5, 0, 1, 2.000000},
612 {5, 1, 1, 1.000000},
613 {5, 1, 2, 1.000000},
614 },
615 { // Sb, z = 51
616 {1, 0, 1, 2.000000},
617 {2, 0, 1, 2.000000},
618 {2, 1, 1, 2.000000},
619 {2, 1, 2, 4.000000},
620 {3, 0, 1, 2.000000},
621 {3, 1, 1, 2.000000},
622 {3, 1, 2, 4.000000},
623 {3, 2, 2, 4.000000},
624 {3, 2, 3, 6.000000},
625 {4, 0, 1, 2.000000},
626 {4, 1, 1, 2.000000},
627 {4, 1, 2, 4.000000},
628 {4, 2, 2, 4.000000},
629 {4, 2, 3, 6.000000},
630 {5, 0, 1, 2.000000},
631 {5, 1, 1, 1.000000},
632 {5, 1, 2, 2.000000},
633 },
634 { // Te, z = 52
635 {1, 0, 1, 2.000000},
636 {2, 0, 1, 2.000000},
637 {2, 1, 1, 2.000000},
638 {2, 1, 2, 4.000000},
639 {3, 0, 1, 2.000000},
640 {3, 1, 1, 2.000000},
641 {3, 1, 2, 4.000000},
642 {3, 2, 2, 4.000000},
643 {3, 2, 3, 6.000000},
644 {4, 0, 1, 2.000000},
645 {4, 1, 1, 2.000000},
646 {4, 1, 2, 4.000000},
647 {4, 2, 2, 4.000000},
648 {4, 2, 3, 6.000000},
649 {5, 0, 1, 2.000000},
650 {5, 1, 1, 2.000000},
651 {5, 1, 2, 2.000000},
652 },
653 { // I, z = 53
654 {1, 0, 1, 2.000000},
655 {2, 0, 1, 2.000000},
656 {2, 1, 1, 2.000000},
657 {2, 1, 2, 4.000000},
658 {3, 0, 1, 2.000000},
659 {3, 1, 1, 2.000000},
660 {3, 1, 2, 4.000000},
661 {3, 2, 2, 4.000000},
662 {3, 2, 3, 6.000000},
663 {4, 0, 1, 2.000000},
664 {4, 1, 1, 2.000000},
665 {4, 1, 2, 4.000000},
666 {4, 2, 2, 4.000000},
667 {4, 2, 3, 6.000000},
668 {5, 0, 1, 2.000000},
669 {5, 1, 1, 2.000000},
670 {5, 1, 2, 3.000000},
671 },
672 { // Xe, z = 54
673 {1, 0, 1, 2.000000},
674 {2, 0, 1, 2.000000},
675 {2, 1, 1, 2.000000},
676 {2, 1, 2, 4.000000},
677 {3, 0, 1, 2.000000},
678 {3, 1, 1, 2.000000},
679 {3, 1, 2, 4.000000},
680 {3, 2, 2, 4.000000},
681 {3, 2, 3, 6.000000},
682 {4, 0, 1, 2.000000},
683 {4, 1, 1, 2.000000},
684 {4, 1, 2, 4.000000},
685 {4, 2, 2, 4.000000},
686 {4, 2, 3, 6.000000},
687 {5, 0, 1, 2.000000},
688 {5, 1, 1, 2.000000},
689 {5, 1, 2, 4.000000},
690 },
691 { // Cs, z = 55
692 {1, 0, 1, 2.000000},
693 {2, 0, 1, 2.000000},
694 {2, 1, 1, 2.000000},
695 {2, 1, 2, 4.000000},
696 {3, 0, 1, 2.000000},
697 {3, 1, 1, 2.000000},
698 {3, 1, 2, 4.000000},
699 {3, 2, 2, 4.000000},
700 {3, 2, 3, 6.000000},
701 {4, 0, 1, 2.000000},
702 {4, 1, 1, 2.000000},
703 {4, 1, 2, 4.000000},
704 {4, 2, 2, 4.000000},
705 {4, 2, 3, 6.000000},
706 {5, 0, 1, 2.000000},
707 {5, 1, 1, 2.000000},
708 {5, 1, 2, 4.000000},
709 {6, 0, 1, 1.000000},
710 },
711 { // Ba, z = 56
712 {1, 0, 1, 2.000000},
713 {2, 0, 1, 2.000000},
714 {2, 1, 1, 2.000000},
715 {2, 1, 2, 4.000000},
716 {3, 0, 1, 2.000000},
717 {3, 1, 1, 2.000000},
718 {3, 1, 2, 4.000000},
719 {3, 2, 2, 4.000000},
720 {3, 2, 3, 6.000000},
721 {4, 0, 1, 2.000000},
722 {4, 1, 1, 2.000000},
723 {4, 1, 2, 4.000000},
724 {4, 2, 2, 4.000000},
725 {4, 2, 3, 6.000000},
726 {5, 0, 1, 2.000000},
727 {5, 1, 1, 2.000000},
728 {5, 1, 2, 4.000000},
729 {6, 0, 1, 2.000000},
730 },
731 { // La, z = 57
732 {1, 0, 1, 2.000000},
733 {2, 0, 1, 2.000000},
734 {2, 1, 1, 2.000000},
735 {2, 1, 2, 4.000000},
736 {3, 0, 1, 2.000000},
737 {3, 1, 1, 2.000000},
738 {3, 1, 2, 4.000000},
739 {3, 2, 2, 4.000000},
740 {3, 2, 3, 6.000000},
741 {4, 0, 1, 2.000000},
742 {4, 1, 1, 2.000000},
743 {4, 1, 2, 4.000000},
744 {4, 2, 2, 4.000000},
745 {4, 2, 3, 6.000000},
746 {5, 0, 1, 2.000000},
747 {5, 1, 1, 2.000000},
748 {5, 1, 2, 4.000000},
749 {5, 2, 2, 1.000000},
750 {6, 0, 1, 2.000000},
751 },
752 { // Ce, z = 58
753 {1, 0, 1, 2.000000},
754 {2, 0, 1, 2.000000},
755 {2, 1, 1, 2.000000},
756 {2, 1, 2, 4.000000},
757 {3, 0, 1, 2.000000},
758 {3, 1, 1, 2.000000},
759 {3, 1, 2, 4.000000},
760 {3, 2, 2, 4.000000},
761 {3, 2, 3, 6.000000},
762 {4, 0, 1, 2.000000},
763 {4, 1, 1, 2.000000},
764 {4, 1, 2, 4.000000},
765 {4, 2, 2, 4.000000},
766 {4, 2, 3, 6.000000},
767 {4, 3, 3, 1.000000},
768 {5, 0, 1, 2.000000},
769 {5, 1, 1, 2.000000},
770 {5, 1, 2, 4.000000},
771 {5, 2, 2, 1.000000},
772 {6, 0, 1, 2.000000},
773 },
774 { // Pr, z = 59
775 {1, 0, 1, 2.000000},
776 {2, 0, 1, 2.000000},
777 {2, 1, 1, 2.000000},
778 {2, 1, 2, 4.000000},
779 {3, 0, 1, 2.000000},
780 {3, 1, 1, 2.000000},
781 {3, 1, 2, 4.000000},
782 {3, 2, 2, 4.000000},
783 {3, 2, 3, 6.000000},
784 {4, 0, 1, 2.000000},
785 {4, 1, 1, 2.000000},
786 {4, 1, 2, 4.000000},
787 {4, 2, 2, 4.000000},
788 {4, 2, 3, 6.000000},
789 {4, 3, 3, 3.000000},
790 {5, 0, 1, 2.000000},
791 {5, 1, 1, 2.000000},
792 {5, 1, 2, 4.000000},
793 {6, 0, 1, 2.000000},
794 },
795 { // Nd, z = 60
796 {1, 0, 1, 2.000000},
797 {2, 0, 1, 2.000000},
798 {2, 1, 1, 2.000000},
799 {2, 1, 2, 4.000000},
800 {3, 0, 1, 2.000000},
801 {3, 1, 1, 2.000000},
802 {3, 1, 2, 4.000000},
803 {3, 2, 2, 4.000000},
804 {3, 2, 3, 6.000000},
805 {4, 0, 1, 2.000000},
806 {4, 1, 1, 2.000000},
807 {4, 1, 2, 4.000000},
808 {4, 2, 2, 4.000000},
809 {4, 2, 3, 6.000000},
810 {4, 3, 3, 3.000000},
811 {4, 3, 4, 1.000000},
812 {5, 0, 1, 2.000000},
813 {5, 1, 1, 2.000000},
814 {5, 1, 2, 4.000000},
815 {6, 0, 1, 2.000000},
816 },
817 { // Pm, z = 61
818 {1, 0, 1, 2.000000},
819 {2, 0, 1, 2.000000},
820 {2, 1, 1, 2.000000},
821 {2, 1, 2, 4.000000},
822 {3, 0, 1, 2.000000},
823 {3, 1, 1, 2.000000},
824 {3, 1, 2, 4.000000},
825 {3, 2, 2, 4.000000},
826 {3, 2, 3, 6.000000},
827 {4, 0, 1, 2.000000},
828 {4, 1, 1, 2.000000},
829 {4, 1, 2, 4.000000},
830 {4, 2, 2, 4.000000},
831 {4, 2, 3, 6.000000},
832 {4, 3, 3, 3.000000},
833 {4, 3, 4, 2.000000},
834 {5, 0, 1, 2.000000},
835 {5, 1, 1, 2.000000},
836 {5, 1, 2, 4.000000},
837 {6, 0, 1, 2.000000},
838 },
839 { // Sm, z = 62
840 {1, 0, 1, 2.000000},
841 {2, 0, 1, 2.000000},
842 {2, 1, 1, 2.000000},
843 {2, 1, 2, 4.000000},
844 {3, 0, 1, 2.000000},
845 {3, 1, 1, 2.000000},
846 {3, 1, 2, 4.000000},
847 {3, 2, 2, 4.000000},
848 {3, 2, 3, 6.000000},
849 {4, 0, 1, 2.000000},
850 {4, 1, 1, 2.000000},
851 {4, 1, 2, 4.000000},
852 {4, 2, 2, 4.000000},
853 {4, 2, 3, 6.000000},
854 {4, 3, 3, 3.000000},
855 {4, 3, 4, 3.000000},
856 {5, 0, 1, 2.000000},
857 {5, 1, 1, 2.000000},
858 {5, 1, 2, 4.000000},
859 {6, 0, 1, 2.000000},
860 },
861 { // Eu, z = 63
862 {1, 0, 1, 2.000000},
863 {2, 0, 1, 2.000000},
864 {2, 1, 1, 2.000000},
865 {2, 1, 2, 4.000000},
866 {3, 0, 1, 2.000000},
867 {3, 1, 1, 2.000000},
868 {3, 1, 2, 4.000000},
869 {3, 2, 2, 4.000000},
870 {3, 2, 3, 6.000000},
871 {4, 0, 1, 2.000000},
872 {4, 1, 1, 2.000000},
873 {4, 1, 2, 4.000000},
874 {4, 2, 2, 4.000000},
875 {4, 2, 3, 6.000000},
876 {4, 3, 3, 3.000000},
877 {4, 3, 4, 4.000000},
878 {5, 0, 1, 2.000000},
879 {5, 1, 1, 2.000000},
880 {5, 1, 2, 4.000000},
881 {6, 0, 1, 2.000000},
882 },
883 { // Gd, z = 64
884 {1, 0, 1, 2.000000},
885 {2, 0, 1, 2.000000},
886 {2, 1, 1, 2.000000},
887 {2, 1, 2, 4.000000},
888 {3, 0, 1, 2.000000},
889 {3, 1, 1, 2.000000},
890 {3, 1, 2, 4.000000},
891 {3, 2, 2, 4.000000},
892 {3, 2, 3, 6.000000},
893 {4, 0, 1, 2.000000},
894 {4, 1, 1, 2.000000},
895 {4, 1, 2, 4.000000},
896 {4, 2, 2, 4.000000},
897 {4, 2, 3, 6.000000},
898 {4, 3, 3, 3.000000},
899 {4, 3, 4, 4.000000},
900 {5, 0, 1, 2.000000},
901 {5, 1, 1, 2.000000},
902 {5, 1, 2, 4.000000},
903 {5, 2, 2, 1.000000},
904 {6, 0, 1, 2.000000},
905 },
906 { // Tb, z = 65
907 {1, 0, 1, 2.000000},
908 {2, 0, 1, 2.000000},
909 {2, 1, 1, 2.000000},
910 {2, 1, 2, 4.000000},
911 {3, 0, 1, 2.000000},
912 {3, 1, 1, 2.000000},
913 {3, 1, 2, 4.000000},
914 {3, 2, 2, 4.000000},
915 {3, 2, 3, 6.000000},
916 {4, 0, 1, 2.000000},
917 {4, 1, 1, 2.000000},
918 {4, 1, 2, 4.000000},
919 {4, 2, 2, 4.000000},
920 {4, 2, 3, 6.000000},
921 {4, 3, 3, 5.000000},
922 {4, 3, 4, 4.000000},
923 {5, 0, 1, 2.000000},
924 {5, 1, 1, 2.000000},
925 {5, 1, 2, 4.000000},
926 {6, 0, 1, 2.000000},
927 },
928 { // Dy, z = 66
929 {1, 0, 1, 2.000000},
930 {2, 0, 1, 2.000000},
931 {2, 1, 1, 2.000000},
932 {2, 1, 2, 4.000000},
933 {3, 0, 1, 2.000000},
934 {3, 1, 1, 2.000000},
935 {3, 1, 2, 4.000000},
936 {3, 2, 2, 4.000000},
937 {3, 2, 3, 6.000000},
938 {4, 0, 1, 2.000000},
939 {4, 1, 1, 2.000000},
940 {4, 1, 2, 4.000000},
941 {4, 2, 2, 4.000000},
942 {4, 2, 3, 6.000000},
943 {4, 3, 3, 6.000000},
944 {4, 3, 4, 4.000000},
945 {5, 0, 1, 2.000000},
946 {5, 1, 1, 2.000000},
947 {5, 1, 2, 4.000000},
948 {6, 0, 1, 2.000000},
949 },
950 { // Ho, z = 67
951 {1, 0, 1, 2.000000},
952 {2, 0, 1, 2.000000},
953 {2, 1, 1, 2.000000},
954 {2, 1, 2, 4.000000},
955 {3, 0, 1, 2.000000},
956 {3, 1, 1, 2.000000},
957 {3, 1, 2, 4.000000},
958 {3, 2, 2, 4.000000},
959 {3, 2, 3, 6.000000},
960 {4, 0, 1, 2.000000},
961 {4, 1, 1, 2.000000},
962 {4, 1, 2, 4.000000},
963 {4, 2, 2, 4.000000},
964 {4, 2, 3, 6.000000},
965 {4, 3, 3, 6.000000},
966 {4, 3, 4, 5.000000},
967 {5, 0, 1, 2.000000},
968 {5, 1, 1, 2.000000},
969 {5, 1, 2, 4.000000},
970 {6, 0, 1, 2.000000},
971 },
972 { // Er, z = 68
973 {1, 0, 1, 2.000000},
974 {2, 0, 1, 2.000000},
975 {2, 1, 1, 2.000000},
976 {2, 1, 2, 4.000000},
977 {3, 0, 1, 2.000000},
978 {3, 1, 1, 2.000000},
979 {3, 1, 2, 4.000000},
980 {3, 2, 2, 4.000000},
981 {3, 2, 3, 6.000000},
982 {4, 0, 1, 2.000000},
983 {4, 1, 1, 2.000000},
984 {4, 1, 2, 4.000000},
985 {4, 2, 2, 4.000000},
986 {4, 2, 3, 6.000000},
987 {4, 3, 3, 6.000000},
988 {4, 3, 4, 6.000000},
989 {5, 0, 1, 2.000000},
990 {5, 1, 1, 2.000000},
991 {5, 1, 2, 4.000000},
992 {6, 0, 1, 2.000000},
993 },
994 { // Tm, z = 69
995 {1, 0, 1, 2.000000},
996 {2, 0, 1, 2.000000},
997 {2, 1, 1, 2.000000},
998 {2, 1, 2, 4.000000},
999 {3, 0, 1, 2.000000},
1000 {3, 1, 1, 2.000000},
1001 {3, 1, 2, 4.000000},
1002 {3, 2, 2, 4.000000},
1003 {3, 2, 3, 6.000000},
1004 {4, 0, 1, 2.000000},
1005 {4, 1, 1, 2.000000},
1006 {4, 1, 2, 4.000000},
1007 {4, 2, 2, 4.000000},
1008 {4, 2, 3, 6.000000},
1009 {4, 3, 3, 6.000000},
1010 {4, 3, 4, 7.000000},
1011 {5, 0, 1, 2.000000},
1012 {5, 1, 1, 2.000000},
1013 {5, 1, 2, 4.000000},
1014 {6, 0, 1, 2.000000},
1015 },
1016 { // Yb, z = 70
1017 {1, 0, 1, 2.000000},
1018 {2, 0, 1, 2.000000},
1019 {2, 1, 1, 2.000000},
1020 {2, 1, 2, 4.000000},
1021 {3, 0, 1, 2.000000},
1022 {3, 1, 1, 2.000000},
1023 {3, 1, 2, 4.000000},
1024 {3, 2, 2, 4.000000},
1025 {3, 2, 3, 6.000000},
1026 {4, 0, 1, 2.000000},
1027 {4, 1, 1, 2.000000},
1028 {4, 1, 2, 4.000000},
1029 {4, 2, 2, 4.000000},
1030 {4, 2, 3, 6.000000},
1031 {4, 3, 3, 6.000000},
1032 {4, 3, 4, 8.000000},
1033 {5, 0, 1, 2.000000},
1034 {5, 1, 1, 2.000000},
1035 {5, 1, 2, 4.000000},
1036 {6, 0, 1, 2.000000},
1037 },
1038 { // Lu, z = 71
1039 {1, 0, 1, 2.000000},
1040 {2, 0, 1, 2.000000},
1041 {2, 1, 1, 2.000000},
1042 {2, 1, 2, 4.000000},
1043 {3, 0, 1, 2.000000},
1044 {3, 1, 1, 2.000000},
1045 {3, 1, 2, 4.000000},
1046 {3, 2, 2, 4.000000},
1047 {3, 2, 3, 6.000000},
1048 {4, 0, 1, 2.000000},
1049 {4, 1, 1, 2.000000},
1050 {4, 1, 2, 4.000000},
1051 {4, 2, 2, 4.000000},
1052 {4, 2, 3, 6.000000},
1053 {4, 3, 3, 6.000000},
1054 {4, 3, 4, 8.000000},
1055 {5, 0, 1, 2.000000},
1056 {5, 1, 1, 2.000000},
1057 {5, 1, 2, 4.000000},
1058 {5, 2, 2, 1.000000},
1059 {6, 0, 1, 2.000000},
1060 },
1061 { // Hf, z = 72
1062 {1, 0, 1, 2.000000},
1063 {2, 0, 1, 2.000000},
1064 {2, 1, 1, 2.000000},
1065 {2, 1, 2, 4.000000},
1066 {3, 0, 1, 2.000000},
1067 {3, 1, 1, 2.000000},
1068 {3, 1, 2, 4.000000},
1069 {3, 2, 2, 4.000000},
1070 {3, 2, 3, 6.000000},
1071 {4, 0, 1, 2.000000},
1072 {4, 1, 1, 2.000000},
1073 {4, 1, 2, 4.000000},
1074 {4, 2, 2, 4.000000},
1075 {4, 2, 3, 6.000000},
1076 {4, 3, 3, 6.000000},
1077 {4, 3, 4, 8.000000},
1078 {5, 0, 1, 2.000000},
1079 {5, 1, 1, 2.000000},
1080 {5, 1, 2, 4.000000},
1081 {5, 2, 2, 2.000000},
1082 {6, 0, 1, 2.000000},
1083 },
1084 { // Ta, z = 73
1085 {1, 0, 1, 2.000000},
1086 {2, 0, 1, 2.000000},
1087 {2, 1, 1, 2.000000},
1088 {2, 1, 2, 4.000000},
1089 {3, 0, 1, 2.000000},
1090 {3, 1, 1, 2.000000},
1091 {3, 1, 2, 4.000000},
1092 {3, 2, 2, 4.000000},
1093 {3, 2, 3, 6.000000},
1094 {4, 0, 1, 2.000000},
1095 {4, 1, 1, 2.000000},
1096 {4, 1, 2, 4.000000},
1097 {4, 2, 2, 4.000000},
1098 {4, 2, 3, 6.000000},
1099 {4, 3, 3, 6.000000},
1100 {4, 3, 4, 8.000000},
1101 {5, 0, 1, 2.000000},
1102 {5, 1, 1, 2.000000},
1103 {5, 1, 2, 4.000000},
1104 {5, 2, 2, 3.000000},
1105 {6, 0, 1, 2.000000},
1106 },
1107 { // W, z = 74
1108 {1, 0, 1, 2.000000},
1109 {2, 0, 1, 2.000000},
1110 {2, 1, 1, 2.000000},
1111 {2, 1, 2, 4.000000},
1112 {3, 0, 1, 2.000000},
1113 {3, 1, 1, 2.000000},
1114 {3, 1, 2, 4.000000},
1115 {3, 2, 2, 4.000000},
1116 {3, 2, 3, 6.000000},
1117 {4, 0, 1, 2.000000},
1118 {4, 1, 1, 2.000000},
1119 {4, 1, 2, 4.000000},
1120 {4, 2, 2, 4.000000},
1121 {4, 2, 3, 6.000000},
1122 {4, 3, 3, 6.000000},
1123 {4, 3, 4, 8.000000},
1124 {5, 0, 1, 2.000000},
1125 {5, 1, 1, 2.000000},
1126 {5, 1, 2, 4.000000},
1127 {5, 2, 2, 3.000000},
1128 {5, 2, 3, 1.000000},
1129 {6, 0, 1, 2.000000},
1130 },
1131 { // Re, z = 75
1132 {1, 0, 1, 2.000000},
1133 {2, 0, 1, 2.000000},
1134 {2, 1, 1, 2.000000},
1135 {2, 1, 2, 4.000000},
1136 {3, 0, 1, 2.000000},
1137 {3, 1, 1, 2.000000},
1138 {3, 1, 2, 4.000000},
1139 {3, 2, 2, 4.000000},
1140 {3, 2, 3, 6.000000},
1141 {4, 0, 1, 2.000000},
1142 {4, 1, 1, 2.000000},
1143 {4, 1, 2, 4.000000},
1144 {4, 2, 2, 4.000000},
1145 {4, 2, 3, 6.000000},
1146 {4, 3, 3, 6.000000},
1147 {4, 3, 4, 8.000000},
1148 {5, 0, 1, 2.000000},
1149 {5, 1, 1, 2.000000},
1150 {5, 1, 2, 4.000000},
1151 {5, 2, 2, 3.000000},
1152 {5, 2, 3, 2.000000},
1153 {6, 0, 1, 2.000000},
1154 },
1155 { // Os, z = 76
1156 {1, 0, 1, 2.000000},
1157 {2, 0, 1, 2.000000},
1158 {2, 1, 1, 2.000000},
1159 {2, 1, 2, 4.000000},
1160 {3, 0, 1, 2.000000},
1161 {3, 1, 1, 2.000000},
1162 {3, 1, 2, 4.000000},
1163 {3, 2, 2, 4.000000},
1164 {3, 2, 3, 6.000000},
1165 {4, 0, 1, 2.000000},
1166 {4, 1, 1, 2.000000},
1167 {4, 1, 2, 4.000000},
1168 {4, 2, 2, 4.000000},
1169 {4, 2, 3, 6.000000},
1170 {4, 3, 3, 6.000000},
1171 {4, 3, 4, 8.000000},
1172 {5, 0, 1, 2.000000},
1173 {5, 1, 1, 2.000000},
1174 {5, 1, 2, 4.000000},
1175 {5, 2, 2, 4.000000},
1176 {5, 2, 3, 2.000000},
1177 {6, 0, 1, 2.000000},
1178 },
1179 { // Ir, z = 77
1180 {1, 0, 1, 2.000000},
1181 {2, 0, 1, 2.000000},
1182 {2, 1, 1, 2.000000},
1183 {2, 1, 2, 4.000000},
1184 {3, 0, 1, 2.000000},
1185 {3, 1, 1, 2.000000},
1186 {3, 1, 2, 4.000000},
1187 {3, 2, 2, 4.000000},
1188 {3, 2, 3, 6.000000},
1189 {4, 0, 1, 2.000000},
1190 {4, 1, 1, 2.000000},
1191 {4, 1, 2, 4.000000},
1192 {4, 2, 2, 4.000000},
1193 {4, 2, 3, 6.000000},
1194 {4, 3, 3, 6.000000},
1195 {4, 3, 4, 8.000000},
1196 {5, 0, 1, 2.000000},
1197 {5, 1, 1, 2.000000},
1198 {5, 1, 2, 4.000000},
1199 {5, 2, 2, 4.000000},
1200 {5, 2, 3, 3.000000},
1201 {6, 0, 1, 2.000000},
1202 },
1203 { // Pt, z = 78
1204 {1, 0, 1, 2.000000},
1205 {2, 0, 1, 2.000000},
1206 {2, 1, 1, 2.000000},
1207 {2, 1, 2, 4.000000},
1208 {3, 0, 1, 2.000000},
1209 {3, 1, 1, 2.000000},
1210 {3, 1, 2, 4.000000},
1211 {3, 2, 2, 4.000000},
1212 {3, 2, 3, 6.000000},
1213 {4, 0, 1, 2.000000},
1214 {4, 1, 1, 2.000000},
1215 {4, 1, 2, 4.000000},
1216 {4, 2, 2, 4.000000},
1217 {4, 2, 3, 6.000000},
1218 {4, 3, 3, 6.000000},
1219 {4, 3, 4, 8.000000},
1220 {5, 0, 1, 2.000000},
1221 {5, 1, 1, 2.000000},
1222 {5, 1, 2, 4.000000},
1223 {5, 2, 2, 4.000000},
1224 {5, 2, 3, 5.000000},
1225 {6, 0, 1, 1.000000},
1226 },
1227 { // Au, z = 79
1228 {1, 0, 1, 2.000000},
1229 {2, 0, 1, 2.000000},
1230 {2, 1, 1, 2.000000},
1231 {2, 1, 2, 4.000000},
1232 {3, 0, 1, 2.000000},
1233 {3, 1, 1, 2.000000},
1234 {3, 1, 2, 4.000000},
1235 {3, 2, 2, 4.000000},
1236 {3, 2, 3, 6.000000},
1237 {4, 0, 1, 2.000000},
1238 {4, 1, 1, 2.000000},
1239 {4, 1, 2, 4.000000},
1240 {4, 2, 2, 4.000000},
1241 {4, 2, 3, 6.000000},
1242 {4, 3, 3, 6.000000},
1243 {4, 3, 4, 8.000000},
1244 {5, 0, 1, 2.000000},
1245 {5, 1, 1, 2.000000},
1246 {5, 1, 2, 4.000000},
1247 {5, 2, 2, 4.000000},
1248 {5, 2, 3, 6.000000},
1249 {6, 0, 1, 1.000000},
1250 },
1251 { // Hg, z = 80
1252 {1, 0, 1, 2.000000},
1253 {2, 0, 1, 2.000000},
1254 {2, 1, 1, 2.000000},
1255 {2, 1, 2, 4.000000},
1256 {3, 0, 1, 2.000000},
1257 {3, 1, 1, 2.000000},
1258 {3, 1, 2, 4.000000},
1259 {3, 2, 2, 4.000000},
1260 {3, 2, 3, 6.000000},
1261 {4, 0, 1, 2.000000},
1262 {4, 1, 1, 2.000000},
1263 {4, 1, 2, 4.000000},
1264 {4, 2, 2, 4.000000},
1265 {4, 2, 3, 6.000000},
1266 {4, 3, 3, 6.000000},
1267 {4, 3, 4, 8.000000},
1268 {5, 0, 1, 2.000000},
1269 {5, 1, 1, 2.000000},
1270 {5, 1, 2, 4.000000},
1271 {5, 2, 2, 4.000000},
1272 {5, 2, 3, 6.000000},
1273 {6, 0, 1, 2.000000},
1274 },
1275 { // Tl, z = 81
1276 {1, 0, 1, 2.000000},
1277 {2, 0, 1, 2.000000},
1278 {2, 1, 1, 2.000000},
1279 {2, 1, 2, 4.000000},
1280 {3, 0, 1, 2.000000},
1281 {3, 1, 1, 2.000000},
1282 {3, 1, 2, 4.000000},
1283 {3, 2, 2, 4.000000},
1284 {3, 2, 3, 6.000000},
1285 {4, 0, 1, 2.000000},
1286 {4, 1, 1, 2.000000},
1287 {4, 1, 2, 4.000000},
1288 {4, 2, 2, 4.000000},
1289 {4, 2, 3, 6.000000},
1290 {4, 3, 3, 6.000000},
1291 {4, 3, 4, 8.000000},
1292 {5, 0, 1, 2.000000},
1293 {5, 1, 1, 2.000000},
1294 {5, 1, 2, 4.000000},
1295 {5, 2, 2, 4.000000},
1296 {5, 2, 3, 6.000000},
1297 {6, 0, 1, 2.000000},
1298 {6, 1, 1, 1.000000},
1299 },
1300 { // Pb, z = 82
1301 {1, 0, 1, 2.000000},
1302 {2, 0, 1, 2.000000},
1303 {2, 1, 1, 2.000000},
1304 {2, 1, 2, 4.000000},
1305 {3, 0, 1, 2.000000},
1306 {3, 1, 1, 2.000000},
1307 {3, 1, 2, 4.000000},
1308 {3, 2, 2, 4.000000},
1309 {3, 2, 3, 6.000000},
1310 {4, 0, 1, 2.000000},
1311 {4, 1, 1, 2.000000},
1312 {4, 1, 2, 4.000000},
1313 {4, 2, 2, 4.000000},
1314 {4, 2, 3, 6.000000},
1315 {4, 3, 3, 6.000000},
1316 {4, 3, 4, 8.000000},
1317 {5, 0, 1, 2.000000},
1318 {5, 1, 1, 2.000000},
1319 {5, 1, 2, 4.000000},
1320 {5, 2, 2, 4.000000},
1321 {5, 2, 3, 6.000000},
1322 {6, 0, 1, 2.000000},
1323 {6, 1, 1, 1.000000},
1324 {6, 1, 2, 1.000000},
1325 },
1326 { // Bi, z = 83
1327 {1, 0, 1, 2.000000},
1328 {2, 0, 1, 2.000000},
1329 {2, 1, 1, 2.000000},
1330 {2, 1, 2, 4.000000},
1331 {3, 0, 1, 2.000000},
1332 {3, 1, 1, 2.000000},
1333 {3, 1, 2, 4.000000},
1334 {3, 2, 2, 4.000000},
1335 {3, 2, 3, 6.000000},
1336 {4, 0, 1, 2.000000},
1337 {4, 1, 1, 2.000000},
1338 {4, 1, 2, 4.000000},
1339 {4, 2, 2, 4.000000},
1340 {4, 2, 3, 6.000000},
1341 {4, 3, 3, 6.000000},
1342 {4, 3, 4, 8.000000},
1343 {5, 0, 1, 2.000000},
1344 {5, 1, 1, 2.000000},
1345 {5, 1, 2, 4.000000},
1346 {5, 2, 2, 4.000000},
1347 {5, 2, 3, 6.000000},
1348 {6, 0, 1, 2.000000},
1349 {6, 1, 1, 1.000000},
1350 {6, 1, 2, 2.000000},
1351 },
1352 { // Po, z = 84
1353 {1, 0, 1, 2.000000},
1354 {2, 0, 1, 2.000000},
1355 {2, 1, 1, 2.000000},
1356 {2, 1, 2, 4.000000},
1357 {3, 0, 1, 2.000000},
1358 {3, 1, 1, 2.000000},
1359 {3, 1, 2, 4.000000},
1360 {3, 2, 2, 4.000000},
1361 {3, 2, 3, 6.000000},
1362 {4, 0, 1, 2.000000},
1363 {4, 1, 1, 2.000000},
1364 {4, 1, 2, 4.000000},
1365 {4, 2, 2, 4.000000},
1366 {4, 2, 3, 6.000000},
1367 {4, 3, 3, 6.000000},
1368 {4, 3, 4, 8.000000},
1369 {5, 0, 1, 2.000000},
1370 {5, 1, 1, 2.000000},
1371 {5, 1, 2, 4.000000},
1372 {5, 2, 2, 4.000000},
1373 {5, 2, 3, 6.000000},
1374 {6, 0, 1, 2.000000},
1375 {6, 1, 1, 2.000000},
1376 {6, 1, 2, 2.000000},
1377 },
1378 { // At, z = 85
1379 {1, 0, 1, 2.000000},
1380 {2, 0, 1, 2.000000},
1381 {2, 1, 1, 2.000000},
1382 {2, 1, 2, 4.000000},
1383 {3, 0, 1, 2.000000},
1384 {3, 1, 1, 2.000000},
1385 {3, 1, 2, 4.000000},
1386 {3, 2, 2, 4.000000},
1387 {3, 2, 3, 6.000000},
1388 {4, 0, 1, 2.000000},
1389 {4, 1, 1, 2.000000},
1390 {4, 1, 2, 4.000000},
1391 {4, 2, 2, 4.000000},
1392 {4, 2, 3, 6.000000},
1393 {4, 3, 3, 6.000000},
1394 {4, 3, 4, 8.000000},
1395 {5, 0, 1, 2.000000},
1396 {5, 1, 1, 2.000000},
1397 {5, 1, 2, 4.000000},
1398 {5, 2, 2, 4.000000},
1399 {5, 2, 3, 6.000000},
1400 {6, 0, 1, 2.000000},
1401 {6, 1, 1, 2.000000},
1402 {6, 1, 2, 3.000000},
1403 },
1404 { // Rn, z = 86
1405 {1, 0, 1, 2.000000},
1406 {2, 0, 1, 2.000000},
1407 {2, 1, 1, 2.000000},
1408 {2, 1, 2, 4.000000},
1409 {3, 0, 1, 2.000000},
1410 {3, 1, 1, 2.000000},
1411 {3, 1, 2, 4.000000},
1412 {3, 2, 2, 4.000000},
1413 {3, 2, 3, 6.000000},
1414 {4, 0, 1, 2.000000},
1415 {4, 1, 1, 2.000000},
1416 {4, 1, 2, 4.000000},
1417 {4, 2, 2, 4.000000},
1418 {4, 2, 3, 6.000000},
1419 {4, 3, 3, 6.000000},
1420 {4, 3, 4, 8.000000},
1421 {5, 0, 1, 2.000000},
1422 {5, 1, 1, 2.000000},
1423 {5, 1, 2, 4.000000},
1424 {5, 2, 2, 4.000000},
1425 {5, 2, 3, 6.000000},
1426 {6, 0, 1, 2.000000},
1427 {6, 1, 1, 2.000000},
1428 {6, 1, 2, 4.000000},
1429 },
1430 { // Fr, z = 87
1431 {1, 0, 1, 2.000000},
1432 {2, 0, 1, 2.000000},
1433 {2, 1, 1, 2.000000},
1434 {2, 1, 2, 4.000000},
1435 {3, 0, 1, 2.000000},
1436 {3, 1, 1, 2.000000},
1437 {3, 1, 2, 4.000000},
1438 {3, 2, 2, 4.000000},
1439 {3, 2, 3, 6.000000},
1440 {4, 0, 1, 2.000000},
1441 {4, 1, 1, 2.000000},
1442 {4, 1, 2, 4.000000},
1443 {4, 2, 2, 4.000000},
1444 {4, 2, 3, 6.000000},
1445 {4, 3, 3, 6.000000},
1446 {4, 3, 4, 8.000000},
1447 {5, 0, 1, 2.000000},
1448 {5, 1, 1, 2.000000},
1449 {5, 1, 2, 4.000000},
1450 {5, 2, 2, 4.000000},
1451 {5, 2, 3, 6.000000},
1452 {6, 0, 1, 2.000000},
1453 {6, 1, 1, 2.000000},
1454 {6, 1, 2, 4.000000},
1455 {7, 0, 1, 1.000000},
1456 },
1457 { // Ra, z = 88
1458 {1, 0, 1, 2.000000},
1459 {2, 0, 1, 2.000000},
1460 {2, 1, 1, 2.000000},
1461 {2, 1, 2, 4.000000},
1462 {3, 0, 1, 2.000000},
1463 {3, 1, 1, 2.000000},
1464 {3, 1, 2, 4.000000},
1465 {3, 2, 2, 4.000000},
1466 {3, 2, 3, 6.000000},
1467 {4, 0, 1, 2.000000},
1468 {4, 1, 1, 2.000000},
1469 {4, 1, 2, 4.000000},
1470 {4, 2, 2, 4.000000},
1471 {4, 2, 3, 6.000000},
1472 {4, 3, 3, 6.000000},
1473 {4, 3, 4, 8.000000},
1474 {5, 0, 1, 2.000000},
1475 {5, 1, 1, 2.000000},
1476 {5, 1, 2, 4.000000},
1477 {5, 2, 2, 4.000000},
1478 {5, 2, 3, 6.000000},
1479 {6, 0, 1, 2.000000},
1480 {6, 1, 1, 2.000000},
1481 {6, 1, 2, 4.000000},
1482 {7, 0, 1, 2.000000},
1483 },
1484 { // Ac, z = 89
1485 {1, 0, 1, 2.000000},
1486 {2, 0, 1, 2.000000},
1487 {2, 1, 1, 2.000000},
1488 {2, 1, 2, 4.000000},
1489 {3, 0, 1, 2.000000},
1490 {3, 1, 1, 2.000000},
1491 {3, 1, 2, 4.000000},
1492 {3, 2, 2, 4.000000},
1493 {3, 2, 3, 6.000000},
1494 {4, 0, 1, 2.000000},
1495 {4, 1, 1, 2.000000},
1496 {4, 1, 2, 4.000000},
1497 {4, 2, 2, 4.000000},
1498 {4, 2, 3, 6.000000},
1499 {4, 3, 3, 6.000000},
1500 {4, 3, 4, 8.000000},
1501 {5, 0, 1, 2.000000},
1502 {5, 1, 1, 2.000000},
1503 {5, 1, 2, 4.000000},
1504 {5, 2, 2, 4.000000},
1505 {5, 2, 3, 6.000000},
1506 {6, 0, 1, 2.000000},
1507 {6, 1, 1, 2.000000},
1508 {6, 1, 2, 4.000000},
1509 {6, 2, 2, 1.000000},
1510 {7, 0, 1, 2.000000},
1511 },
1512 { // Th, z = 90
1513 {1, 0, 1, 2.000000},
1514 {2, 0, 1, 2.000000},
1515 {2, 1, 1, 2.000000},
1516 {2, 1, 2, 4.000000},
1517 {3, 0, 1, 2.000000},
1518 {3, 1, 1, 2.000000},
1519 {3, 1, 2, 4.000000},
1520 {3, 2, 2, 4.000000},
1521 {3, 2, 3, 6.000000},
1522 {4, 0, 1, 2.000000},
1523 {4, 1, 1, 2.000000},
1524 {4, 1, 2, 4.000000},
1525 {4, 2, 2, 4.000000},
1526 {4, 2, 3, 6.000000},
1527 {4, 3, 3, 6.000000},
1528 {4, 3, 4, 8.000000},
1529 {5, 0, 1, 2.000000},
1530 {5, 1, 1, 2.000000},
1531 {5, 1, 2, 4.000000},
1532 {5, 2, 2, 4.000000},
1533 {5, 2, 3, 6.000000},
1534 {6, 0, 1, 2.000000},
1535 {6, 1, 1, 2.000000},
1536 {6, 1, 2, 4.000000},
1537 {6, 2, 2, 2.000000},
1538 {7, 0, 1, 2.000000},
1539 },
1540 { // Pa, z = 91
1541 {1, 0, 1, 2.000000},
1542 {2, 0, 1, 2.000000},
1543 {2, 1, 1, 2.000000},
1544 {2, 1, 2, 4.000000},
1545 {3, 0, 1, 2.000000},
1546 {3, 1, 1, 2.000000},
1547 {3, 1, 2, 4.000000},
1548 {3, 2, 2, 4.000000},
1549 {3, 2, 3, 6.000000},
1550 {4, 0, 1, 2.000000},
1551 {4, 1, 1, 2.000000},
1552 {4, 1, 2, 4.000000},
1553 {4, 2, 2, 4.000000},
1554 {4, 2, 3, 6.000000},
1555 {4, 3, 3, 6.000000},
1556 {4, 3, 4, 8.000000},
1557 {5, 0, 1, 2.000000},
1558 {5, 1, 1, 2.000000},
1559 {5, 1, 2, 4.000000},
1560 {5, 2, 2, 4.000000},
1561 {5, 2, 3, 6.000000},
1562 {5, 3, 3, 2.000000},
1563 {6, 0, 1, 2.000000},
1564 {6, 1, 1, 2.000000},
1565 {6, 1, 2, 4.000000},
1566 {6, 2, 2, 1.000000},
1567 {7, 0, 1, 2.000000},
1568 },
1569 { // U, z = 92
1570 {1, 0, 1, 2.000000},
1571 {2, 0, 1, 2.000000},
1572 {2, 1, 1, 2.000000},
1573 {2, 1, 2, 4.000000},
1574 {3, 0, 1, 2.000000},
1575 {3, 1, 1, 2.000000},
1576 {3, 1, 2, 4.000000},
1577 {3, 2, 2, 4.000000},
1578 {3, 2, 3, 6.000000},
1579 {4, 0, 1, 2.000000},
1580 {4, 1, 1, 2.000000},
1581 {4, 1, 2, 4.000000},
1582 {4, 2, 2, 4.000000},
1583 {4, 2, 3, 6.000000},
1584 {4, 3, 3, 6.000000},
1585 {4, 3, 4, 8.000000},
1586 {5, 0, 1, 2.000000},
1587 {5, 1, 1, 2.000000},
1588 {5, 1, 2, 4.000000},
1589 {5, 2, 2, 4.000000},
1590 {5, 2, 3, 6.000000},
1591 {5, 3, 3, 3.000000},
1592 {6, 0, 1, 2.000000},
1593 {6, 1, 1, 2.000000},
1594 {6, 1, 2, 4.000000},
1595 {6, 2, 2, 1.000000},
1596 {7, 0, 1, 2.000000},
1597 },
1598 { // Np, z = 93
1599 {1, 0, 1, 2.000000},
1600 {2, 0, 1, 2.000000},
1601 {2, 1, 1, 2.000000},
1602 {2, 1, 2, 4.000000},
1603 {3, 0, 1, 2.000000},
1604 {3, 1, 1, 2.000000},
1605 {3, 1, 2, 4.000000},
1606 {3, 2, 2, 4.000000},
1607 {3, 2, 3, 6.000000},
1608 {4, 0, 1, 2.000000},
1609 {4, 1, 1, 2.000000},
1610 {4, 1, 2, 4.000000},
1611 {4, 2, 2, 4.000000},
1612 {4, 2, 3, 6.000000},
1613 {4, 3, 3, 6.000000},
1614 {4, 3, 4, 8.000000},
1615 {5, 0, 1, 2.000000},
1616 {5, 1, 1, 2.000000},
1617 {5, 1, 2, 4.000000},
1618 {5, 2, 2, 4.000000},
1619 {5, 2, 3, 6.000000},
1620 {5, 3, 3, 3.000000},
1621 {5, 3, 4, 1.000000},
1622 {6, 0, 1, 2.000000},
1623 {6, 1, 1, 2.000000},
1624 {6, 1, 2, 4.000000},
1625 {6, 2, 2, 1.000000},
1626 {7, 0, 1, 2.000000},
1627 },
1628 { // Pu, z = 94
1629 {1, 0, 1, 2.000000},
1630 {2, 0, 1, 2.000000},
1631 {2, 1, 1, 2.000000},
1632 {2, 1, 2, 4.000000},
1633 {3, 0, 1, 2.000000},
1634 {3, 1, 1, 2.000000},
1635 {3, 1, 2, 4.000000},
1636 {3, 2, 2, 4.000000},
1637 {3, 2, 3, 6.000000},
1638 {4, 0, 1, 2.000000},
1639 {4, 1, 1, 2.000000},
1640 {4, 1, 2, 4.000000},
1641 {4, 2, 2, 4.000000},
1642 {4, 2, 3, 6.000000},
1643 {4, 3, 3, 6.000000},
1644 {4, 3, 4, 8.000000},
1645 {5, 0, 1, 2.000000},
1646 {5, 1, 1, 2.000000},
1647 {5, 1, 2, 4.000000},
1648 {5, 2, 2, 4.000000},
1649 {5, 2, 3, 6.000000},
1650 {5, 3, 3, 3.000000},
1651 {5, 3, 4, 3.000000},
1652 {6, 0, 1, 2.000000},
1653 {6, 1, 1, 2.000000},
1654 {6, 1, 2, 4.000000},
1655 {7, 0, 1, 2.000000},
1656 },
1657 { // Am, z = 95
1658 {1, 0, 1, 2.000000},
1659 {2, 0, 1, 2.000000},
1660 {2, 1, 1, 2.000000},
1661 {2, 1, 2, 4.000000},
1662 {3, 0, 1, 2.000000},
1663 {3, 1, 1, 2.000000},
1664 {3, 1, 2, 4.000000},
1665 {3, 2, 2, 4.000000},
1666 {3, 2, 3, 6.000000},
1667 {4, 0, 1, 2.000000},
1668 {4, 1, 1, 2.000000},
1669 {4, 1, 2, 4.000000},
1670 {4, 2, 2, 4.000000},
1671 {4, 2, 3, 6.000000},
1672 {4, 3, 3, 6.000000},
1673 {4, 3, 4, 8.000000},
1674 {5, 0, 1, 2.000000},
1675 {5, 1, 1, 2.000000},
1676 {5, 1, 2, 4.000000},
1677 {5, 2, 2, 4.000000},
1678 {5, 2, 3, 6.000000},
1679 {5, 3, 3, 3.000000},
1680 {5, 3, 4, 4.000000},
1681 {6, 0, 1, 2.000000},
1682 {6, 1, 1, 2.000000},
1683 {6, 1, 2, 4.000000},
1684 {7, 0, 1, 2.000000},
1685 },
1686 { // Cm, z = 96
1687 {1, 0, 1, 2.000000},
1688 {2, 0, 1, 2.000000},
1689 {2, 1, 1, 2.000000},
1690 {2, 1, 2, 4.000000},
1691 {3, 0, 1, 2.000000},
1692 {3, 1, 1, 2.000000},
1693 {3, 1, 2, 4.000000},
1694 {3, 2, 2, 4.000000},
1695 {3, 2, 3, 6.000000},
1696 {4, 0, 1, 2.000000},
1697 {4, 1, 1, 2.000000},
1698 {4, 1, 2, 4.000000},
1699 {4, 2, 2, 4.000000},
1700 {4, 2, 3, 6.000000},
1701 {4, 3, 3, 6.000000},
1702 {4, 3, 4, 8.000000},
1703 {5, 0, 1, 2.000000},
1704 {5, 1, 1, 2.000000},
1705 {5, 1, 2, 4.000000},
1706 {5, 2, 2, 4.000000},
1707 {5, 2, 3, 6.000000},
1708 {5, 3, 3, 3.000000},
1709 {5, 3, 4, 4.000000},
1710 {6, 0, 1, 2.000000},
1711 {6, 1, 1, 2.000000},
1712 {6, 1, 2, 4.000000},
1713 {6, 2, 2, 1.000000},
1714 {7, 0, 1, 2.000000},
1715 },
1716 { // Bk, z = 97
1717 {1, 0, 1, 2.000000},
1718 {2, 0, 1, 2.000000},
1719 {2, 1, 1, 2.000000},
1720 {2, 1, 2, 4.000000},
1721 {3, 0, 1, 2.000000},
1722 {3, 1, 1, 2.000000},
1723 {3, 1, 2, 4.000000},
1724 {3, 2, 2, 4.000000},
1725 {3, 2, 3, 6.000000},
1726 {4, 0, 1, 2.000000},
1727 {4, 1, 1, 2.000000},
1728 {4, 1, 2, 4.000000},
1729 {4, 2, 2, 4.000000},
1730 {4, 2, 3, 6.000000},
1731 {4, 3, 3, 6.000000},
1732 {4, 3, 4, 8.000000},
1733 {5, 0, 1, 2.000000},
1734 {5, 1, 1, 2.000000},
1735 {5, 1, 2, 4.000000},
1736 {5, 2, 2, 4.000000},
1737 {5, 2, 3, 6.000000},
1738 {5, 3, 3, 5.000000},
1739 {5, 3, 4, 4.000000},
1740 {6, 0, 1, 2.000000},
1741 {6, 1, 1, 2.000000},
1742 {6, 1, 2, 4.000000},
1743 {7, 0, 1, 2.000000},
1744 },
1745 { // Cf, z = 98
1746 {1, 0, 1, 2.000000},
1747 {2, 0, 1, 2.000000},
1748 {2, 1, 1, 2.000000},
1749 {2, 1, 2, 4.000000},
1750 {3, 0, 1, 2.000000},
1751 {3, 1, 1, 2.000000},
1752 {3, 1, 2, 4.000000},
1753 {3, 2, 2, 4.000000},
1754 {3, 2, 3, 6.000000},
1755 {4, 0, 1, 2.000000},
1756 {4, 1, 1, 2.000000},
1757 {4, 1, 2, 4.000000},
1758 {4, 2, 2, 4.000000},
1759 {4, 2, 3, 6.000000},
1760 {4, 3, 3, 6.000000},
1761 {4, 3, 4, 8.000000},
1762 {5, 0, 1, 2.000000},
1763 {5, 1, 1, 2.000000},
1764 {5, 1, 2, 4.000000},
1765 {5, 2, 2, 4.000000},
1766 {5, 2, 3, 6.000000},
1767 {5, 3, 3, 6.000000},
1768 {5, 3, 4, 4.000000},
1769 {6, 0, 1, 2.000000},
1770 {6, 1, 1, 2.000000},
1771 {6, 1, 2, 4.000000},
1772 {7, 0, 1, 2.000000},
1773 },
1774 { // Es, z = 99
1775 {1, 0, 1, 2.000000},
1776 {2, 0, 1, 2.000000},
1777 {2, 1, 1, 2.000000},
1778 {2, 1, 2, 4.000000},
1779 {3, 0, 1, 2.000000},
1780 {3, 1, 1, 2.000000},
1781 {3, 1, 2, 4.000000},
1782 {3, 2, 2, 4.000000},
1783 {3, 2, 3, 6.000000},
1784 {4, 0, 1, 2.000000},
1785 {4, 1, 1, 2.000000},
1786 {4, 1, 2, 4.000000},
1787 {4, 2, 2, 4.000000},
1788 {4, 2, 3, 6.000000},
1789 {4, 3, 3, 6.000000},
1790 {4, 3, 4, 8.000000},
1791 {5, 0, 1, 2.000000},
1792 {5, 1, 1, 2.000000},
1793 {5, 1, 2, 4.000000},
1794 {5, 2, 2, 4.000000},
1795 {5, 2, 3, 6.000000},
1796 {5, 3, 3, 6.000000},
1797 {5, 3, 4, 5.000000},
1798 {6, 0, 1, 2.000000},
1799 {6, 1, 1, 2.000000},
1800 {6, 1, 2, 4.000000},
1801 {7, 0, 1, 2.000000},
1802 },
1803 { // Fm, z = 100
1804 {1, 0, 1, 2.000000},
1805 {2, 0, 1, 2.000000},
1806 {2, 1, 1, 2.000000},
1807 {2, 1, 2, 4.000000},
1808 {3, 0, 1, 2.000000},
1809 {3, 1, 1, 2.000000},
1810 {3, 1, 2, 4.000000},
1811 {3, 2, 2, 4.000000},
1812 {3, 2, 3, 6.000000},
1813 {4, 0, 1, 2.000000},
1814 {4, 1, 1, 2.000000},
1815 {4, 1, 2, 4.000000},
1816 {4, 2, 2, 4.000000},
1817 {4, 2, 3, 6.000000},
1818 {4, 3, 3, 6.000000},
1819 {4, 3, 4, 8.000000},
1820 {5, 0, 1, 2.000000},
1821 {5, 1, 1, 2.000000},
1822 {5, 1, 2, 4.000000},
1823 {5, 2, 2, 4.000000},
1824 {5, 2, 3, 6.000000},
1825 {5, 3, 3, 6.000000},
1826 {5, 3, 4, 6.000000},
1827 {6, 0, 1, 2.000000},
1828 {6, 1, 1, 2.000000},
1829 {6, 1, 2, 4.000000},
1830 {7, 0, 1, 2.000000},
1831 },
1832 { // Md, z = 101
1833 {1, 0, 1, 2.000000},
1834 {2, 0, 1, 2.000000},
1835 {2, 1, 1, 2.000000},
1836 {2, 1, 2, 4.000000},
1837 {3, 0, 1, 2.000000},
1838 {3, 1, 1, 2.000000},
1839 {3, 1, 2, 4.000000},
1840 {3, 2, 2, 4.000000},
1841 {3, 2, 3, 6.000000},
1842 {4, 0, 1, 2.000000},
1843 {4, 1, 1, 2.000000},
1844 {4, 1, 2, 4.000000},
1845 {4, 2, 2, 4.000000},
1846 {4, 2, 3, 6.000000},
1847 {4, 3, 3, 6.000000},
1848 {4, 3, 4, 8.000000},
1849 {5, 0, 1, 2.000000},
1850 {5, 1, 1, 2.000000},
1851 {5, 1, 2, 4.000000},
1852 {5, 2, 2, 4.000000},
1853 {5, 2, 3, 6.000000},
1854 {5, 3, 3, 6.000000},
1855 {5, 3, 4, 7.000000},
1856 {6, 0, 1, 2.000000},
1857 {6, 1, 1, 2.000000},
1858 {6, 1, 2, 4.000000},
1859 {7, 0, 1, 2.000000},
1860 },
1861 { // No, z = 102
1862 {1, 0, 1, 2.000000},
1863 {2, 0, 1, 2.000000},
1864 {2, 1, 1, 2.000000},
1865 {2, 1, 2, 4.000000},
1866 {3, 0, 1, 2.000000},
1867 {3, 1, 1, 2.000000},
1868 {3, 1, 2, 4.000000},
1869 {3, 2, 2, 4.000000},
1870 {3, 2, 3, 6.000000},
1871 {4, 0, 1, 2.000000},
1872 {4, 1, 1, 2.000000},
1873 {4, 1, 2, 4.000000},
1874 {4, 2, 2, 4.000000},
1875 {4, 2, 3, 6.000000},
1876 {4, 3, 3, 6.000000},
1877 {4, 3, 4, 8.000000},
1878 {5, 0, 1, 2.000000},
1879 {5, 1, 1, 2.000000},
1880 {5, 1, 2, 4.000000},
1881 {5, 2, 2, 4.000000},
1882 {5, 2, 3, 6.000000},
1883 {5, 3, 3, 6.000000},
1884 {5, 3, 4, 8.000000},
1885 {6, 0, 1, 2.000000},
1886 {6, 1, 1, 2.000000},
1887 {6, 1, 2, 4.000000},
1888 {7, 0, 1, 2.000000},
1889 },
1890 { // Lr, z = 103
1891 {1, 0, 1, 2.000000},
1892 {2, 0, 1, 2.000000},
1893 {2, 1, 1, 2.000000},
1894 {2, 1, 2, 4.000000},
1895 {3, 0, 1, 2.000000},
1896 {3, 1, 1, 2.000000},
1897 {3, 1, 2, 4.000000},
1898 {3, 2, 2, 4.000000},
1899 {3, 2, 3, 6.000000},
1900 {4, 0, 1, 2.000000},
1901 {4, 1, 1, 2.000000},
1902 {4, 1, 2, 4.000000},
1903 {4, 2, 2, 4.000000},
1904 {4, 2, 3, 6.000000},
1905 {4, 3, 3, 6.000000},
1906 {4, 3, 4, 8.000000},
1907 {5, 0, 1, 2.000000},
1908 {5, 1, 1, 2.000000},
1909 {5, 1, 2, 4.000000},
1910 {5, 2, 2, 4.000000},
1911 {5, 2, 3, 6.000000},
1912 {5, 3, 3, 6.000000},
1913 {5, 3, 4, 8.000000},
1914 {6, 0, 1, 2.000000},
1915 {6, 1, 1, 2.000000},
1916 {6, 1, 2, 4.000000},
1917 {6, 2, 2, 1.000000},
1918 {7, 0, 1, 2.000000},
1919 },
1920 { // Rf, z = 104
1921 {1, 0, 1, 2.000000},
1922 {2, 0, 1, 2.000000},
1923 {2, 1, 1, 2.000000},
1924 {2, 1, 2, 4.000000},
1925 {3, 0, 1, 2.000000},
1926 {3, 1, 1, 2.000000},
1927 {3, 1, 2, 4.000000},
1928 {3, 2, 2, 4.000000},
1929 {3, 2, 3, 6.000000},
1930 {4, 0, 1, 2.000000},
1931 {4, 1, 1, 2.000000},
1932 {4, 1, 2, 4.000000},
1933 {4, 2, 2, 4.000000},
1934 {4, 2, 3, 6.000000},
1935 {4, 3, 3, 6.000000},
1936 {4, 3, 4, 8.000000},
1937 {5, 0, 1, 2.000000},
1938 {5, 1, 1, 2.000000},
1939 {5, 1, 2, 4.000000},
1940 {5, 2, 2, 4.000000},
1941 {5, 2, 3, 6.000000},
1942 {5, 3, 3, 6.000000},
1943 {5, 3, 4, 8.000000},
1944 {6, 0, 1, 2.000000},
1945 {6, 1, 1, 2.000000},
1946 {6, 1, 2, 4.000000},
1947 {6, 2, 2, 2.000000},
1948 {7, 0, 1, 2.000000},
1949 },
1950};
1951
1952const std::vector<double> atomic_energy_NIST_LDA = {
1953 -0.4456710, -2.8348360, -7.3351950, -14.4472090, -24.3441980, -37.4257490, -54.0250160, -74.4730770, -99.0996480, -128.2334810, -161.4400600, -199.1394060, -241.3155730, -288.1983970, -339.9462190, -396.7160810, -458.6641790, -525.9461950, -598.2005900, -675.7422830, -758.6792750, -847.2772160, -941.6789040, -1042.0302380, -1148.4493720, -1261.0930560, -1380.0912640, -1505.5801970, -1637.7858610, -1776.5738500, -1921.8464560, -2073.8073320, -2232.5349780, -2398.1114400, -2570.6207000, -2750.1479400, -2936.3372930, -3129.4531610, -3329.5206040, -3536.7377510, -3751.1961750, -3973.0132350, -4202.1888570, -4438.9812280, -4683.3010310, -4935.3684060, -5195.0312150, -5462.3909820, -5737.3090640, -6019.9533530, -6310.3762680, -6608.6314130, -6914.7730920, -7228.8561070, -7550.5577100, -7880.1115780, -8217.5752300, -8563.3602850, -8917.6643690, -9280.3110370, -9651.4841340, -10031.2590900, -10419.7107750, -10816.6538770, -11222.9419750, -11637.8696640, -12061.7705490, -12494.7183040, -12936.7864940, -13388.0485940, -13848.2303750, -14317.4937200, -14795.8842020, -15283.4488220, -15780.2360240, -16286.2954080, -16801.6774710, -17326.5763770, -17860.7909430, -18404.2742200, -18956.9576270, -19518.9931450, -20090.4144490, -20671.2565390, -21261.5552150, -21861.3468690, -22470.3196550, -23088.6880830, -23716.4969520, -24353.8322310, -25001.2913820, -25658.4178890, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000
1954};
1955
1956#endif
atomic_level_descriptor
Describes single atomic level.
Definition: atomic_data.hpp:15
atomic_level_descriptor::core
bool core
True if this is a core level.
Definition: atomic_data.hpp:29
atomic_level_descriptor::k
int k
Quantum number k.
Definition: atomic_data.hpp:23
atomic_level_descriptor::n
int n
Principal quantum number.
Definition: atomic_data.hpp:17
atomic_level_descriptor::occupancy
double occupancy
Level occupancy.
Definition: atomic_data.hpp:26
atomic_level_descriptor::l
int l
Angular momentum quantum number.
Definition: atomic_data.hpp:20
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