source: ThirdParty/mpqc_open/lib/basis/pc-4.kv@ 581525

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_ChronosMutex Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction Subpackage_levmar Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Last change on this file since 581525 was 860145, checked in by Frederik Heber <heber@…>, 8 years ago

Merge commit '0b990dfaa8c6007a996d030163a25f7f5fc8a7e7' as 'ThirdParty/mpqc_open'

  • Property mode set to 100644
File size: 24.0 KB
Line 
1basis: (
2 hydrogen: "pc-4": [
3 (type: [am=s]
4 {exp coef:0} = {
5 0.30797e+04 0.23473e-04
6 0.46152e+03 0.18245e-03
7 0.10506e+03 0.95933e-03
8 0.29764e+02 0.40461e-02
9 0.97183e+01 0.14607e-01
10 })
11 (type: [am=s]
12 {exp coef:0} = {
13 0.35179e+01 0.10000e+01
14 })
15 (type: [am=s]
16 {exp coef:0} = {
17 0.13770e+01 0.10000e+01
18 })
19 (type: [am=s]
20 {exp coef:0} = {
21 0.56831e+00 0.10000e+01
22 })
23 (type: [am=s]
24 {exp coef:0} = {
25 0.24341e+00 0.10000e+01
26 })
27 (type: [am=s]
28 {exp coef:0} = {
29 0.10505e+00 0.10000e+01
30 })
31 (type: [am=s]
32 {exp coef:0} = {
33 0.44198e-01 0.10000e+01
34 })
35 (type: [am=p]
36 {exp coef:0} = {
37 0.30000e+02 0.10000e+01
38 })
39 (type: [am=p]
40 {exp coef:0} = {
41 0.66000e+01 0.10000e+01
42 })
43 (type: [am=p]
44 {exp coef:0} = {
45 0.21000e+01 0.10000e+01
46 })
47 (type: [am=p]
48 {exp coef:0} = {
49 0.95000e+00 0.10000e+01
50 })
51 (type: [am=p]
52 {exp coef:0} = {
53 0.45000e+00 0.10000e+01
54 })
55 (type: [am=p]
56 {exp coef:0} = {
57 0.15000e+00 0.10000e+01
58 })
59 (type: [(am=d puream=1)]
60 {exp coef:0} = {
61 0.21000e+01 0.10000e+01
62 })
63 (type: [(am=d puream=1)]
64 {exp coef:0} = {
65 0.70000e+00 0.10000e+01
66 })
67 (type: [(am=d puream=1)]
68 {exp coef:0} = {
69 0.30000e+00 0.10000e+01
70 })
71 (type: [(am=f puream=1)]
72 {exp coef:0} = {
73 0.25000e+01 0.10000e+01
74 })
75 (type: [(am=f puream=1)]
76 {exp coef:0} = {
77 0.90000e+00 0.10000e+01
78 })
79 (type: [(am=g puream=1)]
80 {exp coef:0} = {
81 0.32000e+01 0.10000e+01
82 })
83 ]
84 carbon: "pc-4": [
85 (type: [am=s]
86 {exp coef:0} = {
87 0.52778e+06 0.29660e-05
88 0.79105e+05 0.23134e-04
89 0.18006e+05 0.12091e-03
90 0.51008e+04 0.51430e-03
91 0.16647e+04 0.18471e-02
92 0.60166e+03 0.60209e-02
93 0.23540e+03 0.17055e-01
94 0.98263e+02 0.44034e-01
95 0.43269e+02 0.89625e-01
96 0.19858e+02 0.14845e+00
97 0.95692e+01 0.69092e-01
98 })
99 (type: [am=s]
100 {exp coef:0} = {
101 0.16647e+04 0.16830e-04
102 0.60166e+03 0.98080e-05
103 0.23540e+03 0.68920e-03
104 0.98263e+02 0.26428e-02
105 0.43269e+02 0.19725e-01
106 0.19858e+02 0.66280e-01
107 0.95692e+01 0.26732e+00
108 0.49373e+01 0.33642e+00
109 })
110 (type: [am=s]
111 {exp coef:0} = {
112 0.26687e+01 0.10000e+01
113 })
114 (type: [am=s]
115 {exp coef:0} = {
116 0.14674e+01 0.10000e+01
117 })
118 (type: [am=s]
119 {exp coef:0} = {
120 0.63863e+00 0.10000e+01
121 })
122 (type: [am=s]
123 {exp coef:0} = {
124 0.30240e+00 0.10000e+01
125 })
126 (type: [am=s]
127 {exp coef:0} = {
128 0.14116e+00 0.10000e+01
129 })
130 (type: [am=s]
131 {exp coef:0} = {
132 0.63749e-01 0.10000e+01
133 })
134 (type: [am=p]
135 {exp coef:0} = {
136 0.38221e+03 0.97576e-04
137 0.90489e+02 0.85864e-03
138 0.28871e+02 0.47882e-02
139 0.10385e+02 0.20388e-01
140 0.44972e+01 0.50005e-01
141 })
142 (type: [am=p]
143 {exp coef:0} = {
144 0.20274e+01 0.10000e+01
145 })
146 (type: [am=p]
147 {exp coef:0} = {
148 0.95154e+00 0.10000e+01
149 })
150 (type: [am=p]
151 {exp coef:0} = {
152 0.44815e+00 0.10000e+01
153 })
154 (type: [am=p]
155 {exp coef:0} = {
156 0.20721e+00 0.10000e+01
157 })
158 (type: [am=p]
159 {exp coef:0} = {
160 0.94870e-01 0.10000e+01
161 })
162 (type: [am=p]
163 {exp coef:0} = {
164 0.40843e-01 0.10000e+01
165 })
166 (type: [(am=d puream=1)]
167 {exp coef:0} = {
168 0.84000e+01 0.10000e+01
169 })
170 (type: [(am=d puream=1)]
171 {exp coef:0} = {
172 0.30000e+01 0.10000e+01
173 })
174 (type: [(am=d puream=1)]
175 {exp coef:0} = {
176 0.12000e+01 0.10000e+01
177 })
178 (type: [(am=d puream=1)]
179 {exp coef:0} = {
180 0.55000e+00 0.10000e+01
181 })
182 (type: [(am=d puream=1)]
183 {exp coef:0} = {
184 0.25000e+00 0.10000e+01
185 })
186 (type: [(am=d puream=1)]
187 {exp coef:0} = {
188 0.10000e+00 0.10000e+01
189 })
190 (type: [(am=f puream=1)]
191 {exp coef:0} = {
192 0.21000e+01 0.10000e+01
193 })
194 (type: [(am=f puream=1)]
195 {exp coef:0} = {
196 0.90000e+00 0.10000e+01
197 })
198 (type: [(am=f puream=1)]
199 {exp coef:0} = {
200 0.40000e+00 0.10000e+01
201 })
202 (type: [(am=g puream=1)]
203 {exp coef:0} = {
204 0.21000e+01 0.10000e+01
205 })
206 (type: [(am=g puream=1)]
207 {exp coef:0} = {
208 0.90000e+00 0.10000e+01
209 })
210 (type: [(am=h puream=1)]
211 {exp coef:0} = {
212 0.18500e+01 0.10000e+01
213 })
214 ]
215 nitrogen: "pc-4": [
216 (type: [am=s]
217 {exp coef:0} = {
218 0.89476e+06 0.22632e-05
219 0.13483e+06 0.17541e-04
220 0.30808e+05 0.91168e-04
221 0.87515e+04 0.38740e-03
222 0.28620e+04 0.13870e-02
223 0.10353e+04 0.45503e-02
224 0.40473e+03 0.13009e-01
225 0.16833e+03 0.34696e-01
226 0.73695e+02 0.74804e-01
227 0.33753e+02 0.13457e+00
228 0.16157e+02 0.11672e+00
229 })
230 (type: [am=s]
231 {exp coef:0} = {
232 0.28620e+04 0.13703e-04
233 0.10353e+04 -0.14862e-04
234 0.40473e+03 0.48102e-03
235 0.16833e+03 0.15384e-02
236 0.73695e+02 0.13555e-01
237 0.33753e+02 0.47311e-01
238 0.16157e+02 0.20160e+00
239 0.79688e+01 0.40713e+00
240 })
241 (type: [am=s]
242 {exp coef:0} = {
243 0.39521e+01 0.10000e+01
244 })
245 (type: [am=s]
246 {exp coef:0} = {
247 0.19454e+01 0.10000e+01
248 })
249 (type: [am=s]
250 {exp coef:0} = {
251 0.92929e+00 0.10000e+01
252 })
253 (type: [am=s]
254 {exp coef:0} = {
255 0.44085e+00 0.10000e+01
256 })
257 (type: [am=s]
258 {exp coef:0} = {
259 0.20340e+00 0.10000e+01
260 })
261 (type: [am=s]
262 {exp coef:0} = {
263 0.91226e-01 0.10000e+01
264 })
265 (type: [am=p]
266 {exp coef:0} = {
267 0.56623e+03 0.92433e-04
268 0.13410e+03 0.80898e-03
269 0.43013e+02 0.45463e-02
270 0.15612e+02 0.19622e-01
271 0.66427e+01 0.51754e-01
272 })
273 (type: [am=p]
274 {exp coef:0} = {
275 0.29748e+01 0.10000e+01
276 })
277 (type: [am=p]
278 {exp coef:0} = {
279 0.13885e+01 0.10000e+01
280 })
281 (type: [am=p]
282 {exp coef:0} = {
283 0.65012e+00 0.10000e+01
284 })
285 (type: [am=p]
286 {exp coef:0} = {
287 0.30028e+00 0.10000e+01
288 })
289 (type: [am=p]
290 {exp coef:0} = {
291 0.13620e+00 0.10000e+01
292 })
293 (type: [am=p]
294 {exp coef:0} = {
295 0.57845e-01 0.10000e+01
296 })
297 (type: [(am=d puream=1)]
298 {exp coef:0} = {
299 0.12800e+02 0.10000e+01
300 })
301 (type: [(am=d puream=1)]
302 {exp coef:0} = {
303 0.44000e+01 0.10000e+01
304 })
305 (type: [(am=d puream=1)]
306 {exp coef:0} = {
307 0.17500e+01 0.10000e+01
308 })
309 (type: [(am=d puream=1)]
310 {exp coef:0} = {
311 0.80000e+00 0.10000e+01
312 })
313 (type: [(am=d puream=1)]
314 {exp coef:0} = {
315 0.37000e+00 0.10000e+01
316 })
317 (type: [(am=d puream=1)]
318 {exp coef:0} = {
319 0.15000e+00 0.10000e+01
320 })
321 (type: [(am=f puream=1)]
322 {exp coef:0} = {
323 0.23000e+01 0.10000e+01
324 })
325 (type: [(am=f puream=1)]
326 {exp coef:0} = {
327 0.10000e+01 0.10000e+01
328 })
329 (type: [(am=f puream=1)]
330 {exp coef:0} = {
331 0.45000e+00 0.10000e+01
332 })
333 (type: [(am=g puream=1)]
334 {exp coef:0} = {
335 0.25500e+01 0.10000e+01
336 })
337 (type: [(am=g puream=1)]
338 {exp coef:0} = {
339 0.11000e+01 0.10000e+01
340 })
341 (type: [(am=h puream=1)]
342 {exp coef:0} = {
343 0.19500e+01 0.10000e+01
344 })
345 ]
346 oxygen: "pc-4": [
347 (type: [am=s]
348 {exp coef:0} = {
349 0.12597e+07 0.20683e-05
350 0.19011e+06 0.15946e-04
351 0.43449e+05 0.83352e-04
352 0.12342e+05 0.35168e-03
353 0.40350e+04 0.12720e-02
354 0.14597e+04 0.41256e-02
355 0.57066e+03 0.11983e-01
356 0.23750e+03 0.31496e-01
357 0.10411e+03 0.70151e-01
358 0.47581e+02 0.12667e+00
359 0.22546e+02 0.12061e+00
360 })
361 (type: [am=s]
362 {exp coef:0} = {
363 0.40350e+04 0.62153e-05
364 0.14597e+04 0.27247e-04
365 0.57066e+03 0.33552e-03
366 0.23750e+03 0.17960e-02
367 0.10411e+03 0.11237e-01
368 0.47581e+02 0.46776e-01
369 0.22546e+02 0.19054e+00
370 0.11093e+02 0.40519e+00
371 })
372 (type: [am=s]
373 {exp coef:0} = {
374 0.55409e+01 0.10000e+01
375 })
376 (type: [am=s]
377 {exp coef:0} = {
378 0.27794e+01 0.10000e+01
379 })
380 (type: [am=s]
381 {exp coef:0} = {
382 0.12837e+01 0.10000e+01
383 })
384 (type: [am=s]
385 {exp coef:0} = {
386 0.59649e+00 0.10000e+01
387 })
388 (type: [am=s]
389 {exp coef:0} = {
390 0.27057e+00 0.10000e+01
391 })
392 (type: [am=s]
393 {exp coef:0} = {
394 0.12028e+00 0.10000e+01
395 })
396 (type: [am=p]
397 {exp coef:0} = {
398 0.70861e+03 0.10433e-03
399 0.16786e+03 0.91174e-03
400 0.53967e+02 0.50886e-02
401 0.19807e+02 0.21544e-01
402 0.83832e+01 0.58879e-01
403 })
404 (type: [am=p]
405 {exp coef:0} = {
406 0.37447e+01 0.10000e+01
407 })
408 (type: [am=p]
409 {exp coef:0} = {
410 0.17322e+01 0.10000e+01
411 })
412 (type: [am=p]
413 {exp coef:0} = {
414 0.79977e+00 0.10000e+01
415 })
416 (type: [am=p]
417 {exp coef:0} = {
418 0.36323e+00 0.10000e+01
419 })
420 (type: [am=p]
421 {exp coef:0} = {
422 0.15963e+00 0.10000e+01
423 })
424 (type: [am=p]
425 {exp coef:0} = {
426 0.65664e-01 0.10000e+01
427 })
428 (type: [(am=d puream=1)]
429 {exp coef:0} = {
430 0.18200e+02 0.10000e+01
431 })
432 (type: [(am=d puream=1)]
433 {exp coef:0} = {
434 0.60000e+01 0.10000e+01
435 })
436 (type: [(am=d puream=1)]
437 {exp coef:0} = {
438 0.24000e+01 0.10000e+01
439 })
440 (type: [(am=d puream=1)]
441 {exp coef:0} = {
442 0.11000e+01 0.10000e+01
443 })
444 (type: [(am=d puream=1)]
445 {exp coef:0} = {
446 0.50000e+00 0.10000e+01
447 })
448 (type: [(am=d puream=1)]
449 {exp coef:0} = {
450 0.20000e+00 0.10000e+01
451 })
452 (type: [(am=f puream=1)]
453 {exp coef:0} = {
454 0.26000e+01 0.10000e+01
455 })
456 (type: [(am=f puream=1)]
457 {exp coef:0} = {
458 0.11500e+01 0.10000e+01
459 })
460 (type: [(am=f puream=1)]
461 {exp coef:0} = {
462 0.50000e+00 0.10000e+01
463 })
464 (type: [(am=g puream=1)]
465 {exp coef:0} = {
466 0.30500e+01 0.10000e+01
467 })
468 (type: [(am=g puream=1)]
469 {exp coef:0} = {
470 0.13000e+01 0.10000e+01
471 })
472 (type: [(am=h puream=1)]
473 {exp coef:0} = {
474 0.20500e+01 0.10000e+01
475 })
476 ]
477 fluorine: "pc-4": [
478 (type: [am=s]
479 {exp coef:0} = {
480 0.18560e+07 0.17171e-05
481 0.28007e+06 0.13237e-04
482 0.64078e+05 0.69031e-04
483 0.18216e+05 0.29141e-03
484 0.59578e+04 0.10528e-02
485 0.21550e+04 0.34267e-02
486 0.84196e+03 0.99773e-02
487 0.34982e+03 0.26593e-01
488 0.15279e+03 0.60475e-01
489 0.69367e+02 0.11449e+00
490 0.32574e+02 0.11554e+00
491 })
492 (type: [am=s]
493 {exp coef:0} = {
494 0.59578e+04 0.52091e-05
495 0.21550e+04 0.14902e-04
496 0.84196e+03 0.25857e-03
497 0.34982e+03 0.12838e-02
498 0.15279e+03 0.87364e-02
499 0.69367e+02 0.36990e-01
500 0.32574e+02 0.16180e+00
501 0.15889e+02 0.37507e+00
502 })
503 (type: [am=s]
504 {exp coef:0} = {
505 0.78651e+01 0.10000e+01
506 })
507 (type: [am=s]
508 {exp coef:0} = {
509 0.39199e+01 0.10000e+01
510 })
511 (type: [am=s]
512 {exp coef:0} = {
513 0.17861e+01 0.10000e+01
514 })
515 (type: [am=s]
516 {exp coef:0} = {
517 0.82065e+00 0.10000e+01
518 })
519 (type: [am=s]
520 {exp coef:0} = {
521 0.36937e+00 0.10000e+01
522 })
523 (type: [am=s]
524 {exp coef:0} = {
525 0.16198e+00 0.10000e+01
526 })
527 (type: [am=p]
528 {exp coef:0} = {
529 0.91789e+03 0.10430e-03
530 0.21741e+03 0.91436e-03
531 0.69939e+02 0.51142e-02
532 0.25831e+02 0.21545e-01
533 0.10969e+02 0.59682e-01
534 })
535 (type: [am=p]
536 {exp coef:0} = {
537 0.49215e+01 0.10000e+01
538 })
539 (type: [am=p]
540 {exp coef:0} = {
541 0.22839e+01 0.10000e+01
542 })
543 (type: [am=p]
544 {exp coef:0} = {
545 0.10579e+01 0.10000e+01
546 })
547 (type: [am=p]
548 {exp coef:0} = {
549 0.48135e+00 0.10000e+01
550 })
551 (type: [am=p]
552 {exp coef:0} = {
553 0.20902e+00 0.10000e+01
554 })
555 (type: [am=p]
556 {exp coef:0} = {
557 0.85556e-01 0.10000e+01
558 })
559 (type: [(am=d puream=1)]
560 {exp coef:0} = {
561 0.25500e+02 0.10000e+01
562 })
563 (type: [(am=d puream=1)]
564 {exp coef:0} = {
565 0.80000e+01 0.10000e+01
566 })
567 (type: [(am=d puream=1)]
568 {exp coef:0} = {
569 0.32000e+01 0.10000e+01
570 })
571 (type: [(am=d puream=1)]
572 {exp coef:0} = {
573 0.14500e+01 0.10000e+01
574 })
575 (type: [(am=d puream=1)]
576 {exp coef:0} = {
577 0.65000e+00 0.10000e+01
578 })
579 (type: [(am=d puream=1)]
580 {exp coef:0} = {
581 0.25000e+00 0.10000e+01
582 })
583 (type: [(am=f puream=1)]
584 {exp coef:0} = {
585 0.31000e+01 0.10000e+01
586 })
587 (type: [(am=f puream=1)]
588 {exp coef:0} = {
589 0.13500e+01 0.10000e+01
590 })
591 (type: [(am=f puream=1)]
592 {exp coef:0} = {
593 0.60000e+00 0.10000e+01
594 })
595 (type: [(am=g puream=1)]
596 {exp coef:0} = {
597 0.36000e+01 0.10000e+01
598 })
599 (type: [(am=g puream=1)]
600 {exp coef:0} = {
601 0.15500e+01 0.10000e+01
602 })
603 (type: [(am=h puream=1)]
604 {exp coef:0} = {
605 0.21500e+01 0.10000e+01
606 })
607 ]
608 silicon: "pc-4": [
609 (type: [am=s]
610 {exp coef:0} = {
611 0.71901e+06 0.12134e-04
612 0.16999e+06 0.60969e-04
613 0.49400e+05 0.25124e-03
614 0.16385e+05 0.90088e-03
615 0.59854e+04 0.29039e-02
616 0.23541e+04 0.85852e-02
617 0.98140e+03 0.23421e-01
618 0.42890e+03 0.58422e-01
619 0.19454e+03 0.12977e+00
620 0.90777e+02 0.24037e+00
621 0.43715e+02 0.32480e+00
622 0.21491e+02 0.26684e+00
623 0.10669e+02 0.91324e-01
624 0.48882e+01 0.53424e-02
625 })
626 (type: [am=s]
627 {exp coef:0} = {
628 0.23541e+04 0.42175e-05
629 0.98140e+03 0.20469e-04
630 0.42890e+03 0.14261e-03
631 0.19454e+03 0.63795e-03
632 0.90777e+02 0.28664e-02
633 0.43715e+02 0.75695e-02
634 0.21491e+02 0.15473e-01
635 0.10669e+02 -0.15913e-02
636 0.48882e+01 -0.46344e-01
637 0.23361e+01 -0.60218e-01
638 })
639 (type: [am=s]
640 {exp coef:0} = {
641 0.23541e+04 -0.57997e-04
642 0.98140e+03 -0.37736e-03
643 0.42890e+03 -0.21933e-02
644 0.19454e+03 -0.10675e-01
645 0.90777e+02 -0.45499e-01
646 0.43715e+02 -0.12587e+00
647 0.21491e+02 -0.25051e+00
648 0.10669e+02 0.10433e-01
649 0.48882e+01 0.86160e+00
650 0.23361e+01 0.14367e+01
651 0.10967e+01 0.76721e+00
652 })
653 (type: [am=s]
654 {exp coef:0} = {
655 0.42312e+00 0.10000e+01
656 })
657 (type: [am=s]
658 {exp coef:0} = {
659 0.24276e+00 0.10000e+01
660 })
661 (type: [am=s]
662 {exp coef:0} = {
663 0.11703e+00 0.10000e+01
664 })
665 (type: [am=s]
666 {exp coef:0} = {
667 0.52861e-01 0.10000e+01
668 })
669 (type: [am=p]
670 {exp coef:0} = {
671 0.64533e+04 0.21653e-04
672 0.15339e+04 0.19162e-03
673 0.49838e+03 0.11143e-02
674 0.18898e+03 0.50830e-02
675 0.77887e+02 0.19269e-01
676 0.35514e+02 0.53091e-01
677 0.17016e+02 0.12639e+00
678 0.84977e+01 0.22312e+00
679 0.43544e+01 0.29854e+00
680 0.22575e+01 0.28651e+00
681 0.11597e+01 0.17168e+00
682 })
683 (type: [am=p]
684 {exp coef:0} = {
685 0.18898e+03 0.19921e-04
686 0.77887e+02 -0.38970e-04
687 0.35514e+02 0.63327e-04
688 0.17016e+02 -0.14057e-02
689 0.84977e+01 -0.12080e-02
690 0.43544e+01 -0.11390e-01
691 0.22575e+01 0.46079e-02
692 0.11597e+01 -0.57688e-03
693 0.59343e+00 0.13174e+00
694 })
695 (type: [am=p]
696 {exp coef:0} = {
697 0.29012e+00 0.10000e+01
698 })
699 (type: [am=p]
700 {exp coef:0} = {
701 0.13825e+00 0.10000e+01
702 })
703 (type: [am=p]
704 {exp coef:0} = {
705 0.64594e-01 0.10000e+01
706 })
707 (type: [am=p]
708 {exp coef:0} = {
709 0.28354e-01 0.10000e+01
710 })
711 (type: [(am=d puream=1)]
712 {exp coef:0} = {
713 0.19520e+02 0.10000e+01
714 })
715 (type: [(am=d puream=1)]
716 {exp coef:0} = {
717 0.55800e+01 0.10000e+01
718 })
719 (type: [(am=d puream=1)]
720 {exp coef:0} = {
721 0.19200e+01 0.10000e+01
722 })
723 (type: [(am=d puream=1)]
724 {exp coef:0} = {
725 0.69000e+00 0.10000e+01
726 })
727 (type: [(am=d puream=1)]
728 {exp coef:0} = {
729 0.29900e+00 0.10000e+01
730 })
731 (type: [(am=d puream=1)]
732 {exp coef:0} = {
733 0.12500e+00 0.10000e+01
734 })
735 (type: [(am=f puream=1)]
736 {exp coef:0} = {
737 0.26400e+01 0.10000e+01
738 })
739 (type: [(am=f puream=1)]
740 {exp coef:0} = {
741 0.62000e+00 0.10000e+01
742 })
743 (type: [(am=f puream=1)]
744 {exp coef:0} = {
745 0.26000e+00 0.10000e+01
746 })
747 (type: [(am=g puream=1)]
748 {exp coef:0} = {
749 0.13500e+01 0.10000e+01
750 })
751 (type: [(am=g puream=1)]
752 {exp coef:0} = {
753 0.45000e+00 0.10000e+01
754 })
755 (type: [(am=h puream=1)]
756 {exp coef:0} = {
757 0.78000e+00 0.10000e+01
758 })
759 ]
760 phosphorus: "pc-4": [
761 (type: [am=s]
762 {exp coef:0} = {
763 0.82213e+06 0.12207e-04
764 0.19425e+06 0.61440e-04
765 0.56424e+05 0.25322e-03
766 0.18716e+05 0.90752e-03
767 0.68393e+04 0.29230e-02
768 0.26931e+04 0.86138e-02
769 0.11265e+04 0.23329e-01
770 0.49521e+03 0.57641e-01
771 0.22638e+03 0.12694e+00
772 0.10662e+03 0.23408e+00
773 0.51905e+02 0.31805e+00
774 0.25851e+02 0.27002e+00
775 0.13022e+02 0.10197e+00
776 0.60568e+01 0.80899e-02
777 })
778 (type: [am=s]
779 {exp coef:0} = {
780 0.26931e+04 0.36778e-05
781 0.11265e+04 0.16467e-04
782 0.49521e+03 0.11861e-03
783 0.22638e+03 0.50936e-03
784 0.10662e+03 0.22939e-02
785 0.51905e+02 0.59503e-02
786 0.25851e+02 0.12532e-01
787 0.13022e+02 0.34088e-03
788 0.60568e+01 -0.33461e-01
789 0.29574e+01 -0.50380e-01
790 })
791 (type: [am=s]
792 {exp coef:0} = {
793 0.26931e+04 -0.75718e-04
794 0.11265e+04 -0.48033e-03
795 0.49521e+03 -0.27731e-02
796 0.22638e+03 -0.13224e-01
797 0.10662e+03 -0.55695e-01
798 0.51905e+02 -0.15313e+00
799 0.25851e+02 -0.31055e+00
800 0.13022e+02 -0.34248e-01
801 0.60568e+01 0.97684e+00
802 0.29574e+01 0.18179e+01
803 0.14078e+01 0.10730e+01
804 })
805 (type: [am=s]
806 {exp coef:0} = {
807 0.57187e+00 0.10000e+01
808 })
809 (type: [am=s]
810 {exp coef:0} = {
811 0.31078e+00 0.10000e+01
812 })
813 (type: [am=s]
814 {exp coef:0} = {
815 0.14947e+00 0.10000e+01
816 })
817 (type: [am=s]
818 {exp coef:0} = {
819 0.68313e-01 0.10000e+01
820 })
821 (type: [am=p]
822 {exp coef:0} = {
823 0.77486e+04 0.20870e-04
824 0.18336e+04 0.18596e-03
825 0.59555e+03 0.10799e-02
826 0.22661e+03 0.48946e-02
827 0.94191e+02 0.18320e-01
828 0.43332e+02 0.50669e-01
829 0.20907e+02 0.12156e+00
830 0.10502e+02 0.21931e+00
831 0.54255e+01 0.29640e+00
832 0.28818e+01 0.28179e+00
833 0.15284e+01 0.17853e+00
834 })
835 (type: [am=p]
836 {exp coef:0} = {
837 0.22661e+03 0.15973e-04
838 0.94191e+02 -0.47396e-04
839 0.20907e+02 -0.15832e-02
840 0.10502e+02 -0.18117e-02
841 0.54255e+01 -0.13465e-01
842 0.28818e+01 0.61503e-02
843 0.15284e+01 -0.71444e-02
844 0.81081e+00 0.14315e+00
845 })
846 (type: [am=p]
847 {exp coef:0} = {
848 0.39028e+00 0.10000e+01
849 })
850 (type: [am=p]
851 {exp coef:0} = {
852 0.18645e+00 0.10000e+01
853 })
854 (type: [am=p]
855 {exp coef:0} = {
856 0.87567e-01 0.10000e+01
857 })
858 (type: [am=p]
859 {exp coef:0} = {
860 0.38673e-01 0.10000e+01
861 })
862 (type: [(am=d puream=1)]
863 {exp coef:0} = {
864 0.21230e+02 0.10000e+01
865 })
866 (type: [(am=d puream=1)]
867 {exp coef:0} = {
868 0.60700e+01 0.10000e+01
869 })
870 (type: [(am=d puream=1)]
871 {exp coef:0} = {
872 0.20900e+01 0.10000e+01
873 })
874 (type: [(am=d puream=1)]
875 {exp coef:0} = {
876 0.75000e+00 0.10000e+01
877 })
878 (type: [(am=d puream=1)]
879 {exp coef:0} = {
880 0.32500e+00 0.10000e+01
881 })
882 (type: [(am=d puream=1)]
883 {exp coef:0} = {
884 0.13500e+00 0.10000e+01
885 })
886 (type: [(am=f puream=1)]
887 {exp coef:0} = {
888 0.31200e+01 0.10000e+01
889 })
890 (type: [(am=f puream=1)]
891 {exp coef:0} = {
892 0.73000e+00 0.10000e+01
893 })
894 (type: [(am=f puream=1)]
895 {exp coef:0} = {
896 0.30000e+00 0.10000e+01
897 })
898 (type: [(am=g puream=1)]
899 {exp coef:0} = {
900 0.15500e+01 0.10000e+01
901 })
902 (type: [(am=g puream=1)]
903 {exp coef:0} = {
904 0.52000e+00 0.10000e+01
905 })
906 (type: [(am=h puream=1)]
907 {exp coef:0} = {
908 0.87000e+00 0.10000e+01
909 })
910 ]
911 sulfur: "pc-4": [
912 (type: [am=s]
913 {exp coef:0} = {
914 0.98389e+06 0.11563e-04
915 0.22977e+06 0.59017e-04
916 0.66276e+05 0.24474e-03
917 0.21884e+05 0.88159e-03
918 0.79696e+04 0.28494e-02
919 0.31299e+04 0.84273e-02
920 0.13052e+04 0.22951e-01
921 0.57170e+03 0.57038e-01
922 0.26058e+03 0.12616e+00
923 0.12248e+03 0.23373e+00
924 0.59518e+02 0.31883e+00
925 0.29627e+02 0.27098e+00
926 0.14943e+02 0.10217e+00
927 0.70479e+01 0.81326e-02
928 })
929 (type: [am=s]
930 {exp coef:0} = {
931 0.31299e+04 0.34121e-05
932 0.13052e+04 0.15187e-04
933 0.57170e+03 0.11093e-03
934 0.26058e+03 0.47967e-03
935 0.12248e+03 0.21682e-02
936 0.59518e+02 0.56908e-02
937 0.29627e+02 0.11915e-01
938 0.14943e+02 0.27168e-03
939 0.70479e+01 -0.30365e-01
940 0.35040e+01 -0.47588e-01
941 })
942 (type: [am=s]
943 {exp coef:0} = {
944 0.31299e+04 -0.84316e-04
945 0.13052e+04 -0.54837e-03
946 0.57170e+03 -0.31574e-02
947 0.26058e+03 -0.15292e-01
948 0.12248e+03 -0.64288e-01
949 0.59518e+02 -0.17969e+00
950 0.29627e+02 -0.36055e+00
951 0.14943e+02 -0.42524e-01
952 0.70479e+01 0.11075e+01
953 0.35040e+01 0.20784e+01
954 0.16997e+01 0.12396e+01
955 })
956 (type: [am=s]
957 {exp coef:0} = {
958 0.73101e+00 0.10000e+01
959 })
960 (type: [am=s]
961 {exp coef:0} = {
962 0.37948e+00 0.10000e+01
963 })
964 (type: [am=s]
965 {exp coef:0} = {
966 0.18185e+00 0.10000e+01
967 })
968 (type: [am=s]
969 {exp coef:0} = {
970 0.83961e-01 0.10000e+01
971 })
972 (type: [am=p]
973 {exp coef:0} = {
974 0.93414e+04 0.19493e-04
975 0.22086e+04 0.17432e-03
976 0.71627e+03 0.10161e-02
977 0.27251e+03 0.46172e-02
978 0.11377e+03 0.17163e-01
979 0.52571e+02 0.48132e-01
980 0.25397e+02 0.11704e+00
981 0.12770e+02 0.21602e+00
982 0.66224e+01 0.29528e+00
983 0.35388e+01 0.28825e+00
984 0.18756e+01 0.17982e+00
985 })
986 (type: [am=p]
987 {exp coef:0} = {
988 0.27251e+03 0.10626e-04
989 0.11377e+03 -0.50176e-04
990 0.52571e+02 -0.78047e-04
991 0.25397e+02 -0.16188e-02
992 0.12770e+02 -0.26551e-02
993 0.66224e+01 -0.13777e-01
994 0.35388e+01 0.24246e-02
995 0.18756e+01 0.58572e-03
996 0.99018e+00 0.16518e+00
997 })
998 (type: [am=p]
999 {exp coef:0} = {
1000 0.47723e+00 0.10000e+01
1001 })
1002 (type: [am=p]
1003 {exp coef:0} = {
1004 0.22692e+00 0.10000e+01
1005 })
1006 (type: [am=p]
1007 {exp coef:0} = {
1008 0.10473e+00 0.10000e+01
1009 })
1010 (type: [am=p]
1011 {exp coef:0} = {
1012 0.45303e-01 0.10000e+01
1013 })
1014 (type: [(am=d puream=1)]
1015 {exp coef:0} = {
1016 0.22930e+02 0.10000e+01
1017 })
1018 (type: [(am=d puream=1)]
1019 {exp coef:0} = {
1020 0.65500e+01 0.10000e+01
1021 })
1022 (type: [(am=d puream=1)]
1023 {exp coef:0} = {
1024 0.22600e+01 0.10000e+01
1025 })
1026 (type: [(am=d puream=1)]
1027 {exp coef:0} = {
1028 0.81000e+00 0.10000e+01
1029 })
1030 (type: [(am=d puream=1)]
1031 {exp coef:0} = {
1032 0.35100e+00 0.10000e+01
1033 })
1034 (type: [(am=d puream=1)]
1035 {exp coef:0} = {
1036 0.14600e+00 0.10000e+01
1037 })
1038 (type: [(am=f puream=1)]
1039 {exp coef:0} = {
1040 0.35900e+01 0.10000e+01
1041 })
1042 (type: [(am=f puream=1)]
1043 {exp coef:0} = {
1044 0.84000e+00 0.10000e+01
1045 })
1046 (type: [(am=f puream=1)]
1047 {exp coef:0} = {
1048 0.35000e+00 0.10000e+01
1049 })
1050 (type: [(am=g puream=1)]
1051 {exp coef:0} = {
1052 0.17600e+01 0.10000e+01
1053 })
1054 (type: [(am=g puream=1)]
1055 {exp coef:0} = {
1056 0.59000e+00 0.10000e+01
1057 })
1058 (type: [(am=h puream=1)]
1059 {exp coef:0} = {
1060 0.95000e+00 0.10000e+01
1061 })
1062 ]
1063 chlorine: "pc-4": [
1064 (type: [am=s]
1065 {exp coef:0} = {
1066 0.11411e+07 0.11243e-04
1067 0.26443e+06 0.58000e-04
1068 0.75791e+05 0.24215e-03
1069 0.24925e+05 0.87550e-03
1070 0.90526e+04 0.28376e-02
1071 0.35481e+04 0.84086e-02
1072 0.14780e+04 0.22906e-01
1073 0.64735e+03 0.56895e-01
1074 0.29533e+03 0.12569e+00
1075 0.13898e+03 0.23327e+00
1076 0.67549e+02 0.31894e+00
1077 0.33661e+02 0.27117e+00
1078 0.17027e+02 0.10247e+00
1079 0.81504e+01 0.83067e-02
1080 })
1081 (type: [am=s]
1082 {exp coef:0} = {
1083 0.35481e+04 0.58169e-05
1084 0.14780e+04 0.26634e-04
1085 0.64735e+03 0.19172e-03
1086 0.29533e+03 0.83597e-03
1087 0.13898e+03 0.37502e-02
1088 0.67549e+02 0.99495e-02
1089 0.33661e+02 0.20640e-01
1090 0.17027e+02 0.52063e-03
1091 0.81504e+01 -0.50048e-01
1092 0.41319e+01 -0.83332e-01
1093 })
1094 (type: [am=s]
1095 {exp coef:0} = {
1096 0.35481e+04 -0.58469e-04
1097 0.14780e+04 -0.37803e-03
1098 0.64735e+03 -0.21881e-02
1099 0.29533e+03 -0.10582e-01
1100 0.13898e+03 -0.44410e-01
1101 0.67549e+02 -0.12491e+00
1102 0.33661e+02 -0.24877e+00
1103 0.17027e+02 -0.29947e-01
1104 0.81504e+01 0.72881e+00
1105 0.41319e+01 0.13743e+01
1106 0.20457e+01 0.78685e+00
1107 })
1108 (type: [am=s]
1109 {exp coef:0} = {
1110 0.94029e+00 0.10000e+01
1111 })
1112 (type: [am=s]
1113 {exp coef:0} = {
1114 0.46901e+00 0.10000e+01
1115 })
1116 (type: [am=s]
1117 {exp coef:0} = {
1118 0.22219e+00 0.10000e+01
1119 })
1120 (type: [am=s]
1121 {exp coef:0} = {
1122 0.10220e+00 0.10000e+01
1123 })
1124 (type: [am=p]
1125 {exp coef:0} = {
1126 0.11035e+05 0.18514e-04
1127 0.26115e+04 0.16527e-03
1128 0.84802e+03 0.96233e-03
1129 0.32300e+03 0.43777e-02
1130 0.13533e+03 0.16218e-01
1131 0.62684e+02 0.46104e-01
1132 0.30298e+02 0.11348e+00
1133 0.15240e+02 0.21353e+00
1134 0.79259e+01 0.29438e+00
1135 0.42853e+01 0.28778e+00
1136 0.23043e+01 0.18269e+00
1137 })
1138 (type: [am=p]
1139 {exp coef:0} = {
1140 0.32300e+03 0.92007e-05
1141 0.13533e+03 -0.51118e-04
1142 0.62684e+02 -0.10597e-03
1143 0.30298e+02 -0.16689e-02
1144 0.15240e+02 -0.30998e-02
1145 0.79259e+01 -0.14628e-01
1146 0.42853e+01 0.12345e-02
1147 0.23043e+01 0.15315e-02
1148 0.12357e+01 0.16993e+00
1149 })
1150 (type: [am=p]
1151 {exp coef:0} = {
1152 0.60021e+00 0.10000e+01
1153 })
1154 (type: [am=p]
1155 {exp coef:0} = {
1156 0.28739e+00 0.10000e+01
1157 })
1158 (type: [am=p]
1159 {exp coef:0} = {
1160 0.13185e+00 0.10000e+01
1161 })
1162 (type: [am=p]
1163 {exp coef:0} = {
1164 0.56970e-01 0.10000e+01
1165 })
1166 (type: [(am=d puream=1)]
1167 {exp coef:0} = {
1168 0.24630e+02 0.10000e+01
1169 })
1170 (type: [(am=d puream=1)]
1171 {exp coef:0} = {
1172 0.70400e+01 0.10000e+01
1173 })
1174 (type: [(am=d puream=1)]
1175 {exp coef:0} = {
1176 0.24300e+01 0.10000e+01
1177 })
1178 (type: [(am=d puream=1)]
1179 {exp coef:0} = {
1180 0.87000e+00 0.10000e+01
1181 })
1182 (type: [(am=d puream=1)]
1183 {exp coef:0} = {
1184 0.37700e+00 0.10000e+01
1185 })
1186 (type: [(am=d puream=1)]
1187 {exp coef:0} = {
1188 0.15700e+00 0.10000e+01
1189 })
1190 (type: [(am=f puream=1)]
1191 {exp coef:0} = {
1192 0.40600e+01 0.10000e+01
1193 })
1194 (type: [(am=f puream=1)]
1195 {exp coef:0} = {
1196 0.95000e+00 0.10000e+01
1197 })
1198 (type: [(am=f puream=1)]
1199 {exp coef:0} = {
1200 0.39000e+00 0.10000e+01
1201 })
1202 (type: [(am=g puream=1)]
1203 {exp coef:0} = {
1204 0.19700e+01 0.10000e+01
1205 })
1206 (type: [(am=g puream=1)]
1207 {exp coef:0} = {
1208 0.66000e+00 0.10000e+01
1209 })
1210 (type: [(am=h puream=1)]
1211 {exp coef:0} = {
1212 0.10400e+01 0.10000e+01
1213 })
1214 ]
1215)
Note: See TracBrowser for help on using the repository browser.