Action_Thermostats
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
Line | |
---|
1 | basis: (
|
---|
2 | hydrogen: "pc-3": [
|
---|
3 | (type: [am=s]
|
---|
4 | {exp coef:0} = {
|
---|
5 | 0.77469e+03 0.13163e-03
|
---|
6 | 0.11616e+03 0.10226e-02
|
---|
7 | 0.26449e+02 0.53629e-02
|
---|
8 | 0.75015e+01 0.22285e-01
|
---|
9 | 0.24568e+01 0.75374e-01
|
---|
10 | })
|
---|
11 | (type: [am=s]
|
---|
12 | {exp coef:0} = {
|
---|
13 | 0.88774e+00 0.10000e+01
|
---|
14 | })
|
---|
15 | (type: [am=s]
|
---|
16 | {exp coef:0} = {
|
---|
17 | 0.34085e+00 0.10000e+01
|
---|
18 | })
|
---|
19 | (type: [am=s]
|
---|
20 | {exp coef:0} = {
|
---|
21 | 0.13477e+00 0.10000e+01
|
---|
22 | })
|
---|
23 | (type: [am=s]
|
---|
24 | {exp coef:0} = {
|
---|
25 | 0.52263e-01 0.10000e+01
|
---|
26 | })
|
---|
27 | (type: [am=p]
|
---|
28 | {exp coef:0} = {
|
---|
29 | 0.65000e+01 0.10000e+01
|
---|
30 | })
|
---|
31 | (type: [am=p]
|
---|
32 | {exp coef:0} = {
|
---|
33 | 0.15500e+01 0.10000e+01
|
---|
34 | })
|
---|
35 | (type: [am=p]
|
---|
36 | {exp coef:0} = {
|
---|
37 | 0.55000e+00 0.10000e+01
|
---|
38 | })
|
---|
39 | (type: [am=p]
|
---|
40 | {exp coef:0} = {
|
---|
41 | 0.20000e+00 0.10000e+01
|
---|
42 | })
|
---|
43 | (type: [(am=d puream=1)]
|
---|
44 | {exp coef:0} = {
|
---|
45 | 0.19500e+01 0.10000e+01
|
---|
46 | })
|
---|
47 | (type: [(am=d puream=1)]
|
---|
48 | {exp coef:0} = {
|
---|
49 | 0.65000e+00 0.10000e+01
|
---|
50 | })
|
---|
51 | (type: [(am=f puream=1)]
|
---|
52 | {exp coef:0} = {
|
---|
53 | 0.22000e+01 0.10000e+01
|
---|
54 | })
|
---|
55 | ]
|
---|
56 | carbon: "pc-3": [
|
---|
57 | (type: [am=s]
|
---|
58 | {exp coef:0} = {
|
---|
59 | 0.87141e+05 0.28180e-04
|
---|
60 | 0.13052e+05 0.21825e-03
|
---|
61 | 0.29706e+04 0.11508e-02
|
---|
62 | 0.84146e+03 0.47884e-02
|
---|
63 | 0.27459e+03 0.17126e-01
|
---|
64 | 0.99215e+02 0.51160e-01
|
---|
65 | 0.38694e+02 0.12794e+00
|
---|
66 | 0.15911e+02 0.22811e+00
|
---|
67 | 0.67668e+01 0.24690e+00
|
---|
68 | })
|
---|
69 | (type: [am=s]
|
---|
70 | {exp coef:0} = {
|
---|
71 | 0.84146e+03 0.11375e-03
|
---|
72 | 0.27459e+03 0.27554e-03
|
---|
73 | 0.99215e+02 0.50008e-02
|
---|
74 | 0.38694e+02 0.22297e-01
|
---|
75 | 0.15911e+02 0.14027e+00
|
---|
76 | 0.67668e+01 0.41571e+00
|
---|
77 | 0.28984e+01 0.82977e+00
|
---|
78 | })
|
---|
79 | (type: [am=s]
|
---|
80 | {exp coef:0} = {
|
---|
81 | 0.11246e+01 0.10000e+01
|
---|
82 | })
|
---|
83 | (type: [am=s]
|
---|
84 | {exp coef:0} = {
|
---|
85 | 0.51446e+00 0.10000e+01
|
---|
86 | })
|
---|
87 | (type: [am=s]
|
---|
88 | {exp coef:0} = {
|
---|
89 | 0.21176e+00 0.10000e+01
|
---|
90 | })
|
---|
91 | (type: [am=s]
|
---|
92 | {exp coef:0} = {
|
---|
93 | 0.85017e-01 0.10000e+01
|
---|
94 | })
|
---|
95 | (type: [am=p]
|
---|
96 | {exp coef:0} = {
|
---|
97 | 0.14824e+03 0.50719e-03
|
---|
98 | 0.34912e+02 0.41794e-02
|
---|
99 | 0.10894e+02 0.21293e-01
|
---|
100 | 0.41934e+01 0.62269e-01
|
---|
101 | 0.17134e+01 0.16415e+00
|
---|
102 | })
|
---|
103 | (type: [am=p]
|
---|
104 | {exp coef:0} = {
|
---|
105 | 0.73566e+00 0.10000e+01
|
---|
106 | })
|
---|
107 | (type: [am=p]
|
---|
108 | {exp coef:0} = {
|
---|
109 | 0.31637e+00 0.10000e+01
|
---|
110 | })
|
---|
111 | (type: [am=p]
|
---|
112 | {exp coef:0} = {
|
---|
113 | 0.13242e+00 0.10000e+01
|
---|
114 | })
|
---|
115 | (type: [am=p]
|
---|
116 | {exp coef:0} = {
|
---|
117 | 0.51901e-01 0.10000e+01
|
---|
118 | })
|
---|
119 | (type: [(am=d puream=1)]
|
---|
120 | {exp coef:0} = {
|
---|
121 | 0.52000e+01 0.10000e+01
|
---|
122 | })
|
---|
123 | (type: [(am=d puream=1)]
|
---|
124 | {exp coef:0} = {
|
---|
125 | 0.13500e+01 0.10000e+01
|
---|
126 | })
|
---|
127 | (type: [(am=d puream=1)]
|
---|
128 | {exp coef:0} = {
|
---|
129 | 0.52000e+00 0.10000e+01
|
---|
130 | })
|
---|
131 | (type: [(am=d puream=1)]
|
---|
132 | {exp coef:0} = {
|
---|
133 | 0.20000e+00 0.10000e+01
|
---|
134 | })
|
---|
135 | (type: [(am=f puream=1)]
|
---|
136 | {exp coef:0} = {
|
---|
137 | 0.15000e+01 0.10000e+01
|
---|
138 | })
|
---|
139 | (type: [(am=f puream=1)]
|
---|
140 | {exp coef:0} = {
|
---|
141 | 0.65000e+00 0.10000e+01
|
---|
142 | })
|
---|
143 | (type: [(am=g puream=1)]
|
---|
144 | {exp coef:0} = {
|
---|
145 | 0.14000e+01 0.10000e+01
|
---|
146 | })
|
---|
147 | ]
|
---|
148 | nitrogen: "pc-3": [
|
---|
149 | (type: [am=s]
|
---|
150 | {exp coef:0} = {
|
---|
151 | 0.12455e+06 0.26672e-04
|
---|
152 | 0.18656e+05 0.20684e-03
|
---|
153 | 0.42451e+04 0.10893e-02
|
---|
154 | 0.12021e+04 0.45463e-02
|
---|
155 | 0.39214e+03 0.16237e-01
|
---|
156 | 0.14158e+03 0.48957e-01
|
---|
157 | 0.55136e+02 0.12317e+00
|
---|
158 | 0.22643e+02 0.22425e+00
|
---|
159 | 0.96566e+01 0.23876e+00
|
---|
160 | })
|
---|
161 | (type: [am=s]
|
---|
162 | {exp coef:0} = {
|
---|
163 | 0.12021e+04 0.81439e-04
|
---|
164 | 0.39214e+03 0.32439e-03
|
---|
165 | 0.14158e+03 0.43621e-02
|
---|
166 | 0.55136e+02 0.22838e-01
|
---|
167 | 0.22643e+02 0.13462e+00
|
---|
168 | 0.96566e+01 0.42501e+00
|
---|
169 | 0.41685e+01 0.82517e+00
|
---|
170 | })
|
---|
171 | (type: [am=s]
|
---|
172 | {exp coef:0} = {
|
---|
173 | 0.16678e+01 0.10000e+01
|
---|
174 | })
|
---|
175 | (type: [am=s]
|
---|
176 | {exp coef:0} = {
|
---|
177 | 0.74574e+00 0.10000e+01
|
---|
178 | })
|
---|
179 | (type: [am=s]
|
---|
180 | {exp coef:0} = {
|
---|
181 | 0.30516e+00 0.10000e+01
|
---|
182 | })
|
---|
183 | (type: [am=s]
|
---|
184 | {exp coef:0} = {
|
---|
185 | 0.12089e+00 0.10000e+01
|
---|
186 | })
|
---|
187 | (type: [am=p]
|
---|
188 | {exp coef:0} = {
|
---|
189 | 0.21829e+03 0.48281e-03
|
---|
190 | 0.51488e+02 0.40420e-02
|
---|
191 | 0.16130e+02 0.20946e-01
|
---|
192 | 0.61307e+01 0.64757e-01
|
---|
193 | 0.25052e+01 0.17042e+00
|
---|
194 | })
|
---|
195 | (type: [am=p]
|
---|
196 | {exp coef:0} = {
|
---|
197 | 0.10730e+01 0.10000e+01
|
---|
198 | })
|
---|
199 | (type: [am=p]
|
---|
200 | {exp coef:0} = {
|
---|
201 | 0.45838e+00 0.10000e+01
|
---|
202 | })
|
---|
203 | (type: [am=p]
|
---|
204 | {exp coef:0} = {
|
---|
205 | 0.18948e+00 0.10000e+01
|
---|
206 | })
|
---|
207 | (type: [am=p]
|
---|
208 | {exp coef:0} = {
|
---|
209 | 0.73359e-01 0.10000e+01
|
---|
210 | })
|
---|
211 | (type: [(am=d puream=1)]
|
---|
212 | {exp coef:0} = {
|
---|
213 | 0.60000e+01 0.10000e+01
|
---|
214 | })
|
---|
215 | (type: [(am=d puream=1)]
|
---|
216 | {exp coef:0} = {
|
---|
217 | 0.16500e+01 0.10000e+01
|
---|
218 | })
|
---|
219 | (type: [(am=d puream=1)]
|
---|
220 | {exp coef:0} = {
|
---|
221 | 0.65000e+00 0.10000e+01
|
---|
222 | })
|
---|
223 | (type: [(am=d puream=1)]
|
---|
224 | {exp coef:0} = {
|
---|
225 | 0.25000e+00 0.10000e+01
|
---|
226 | })
|
---|
227 | (type: [(am=f puream=1)]
|
---|
228 | {exp coef:0} = {
|
---|
229 | 0.18000e+01 0.10000e+01
|
---|
230 | })
|
---|
231 | (type: [(am=f puream=1)]
|
---|
232 | {exp coef:0} = {
|
---|
233 | 0.77000e+00 0.10000e+01
|
---|
234 | })
|
---|
235 | (type: [(am=g puream=1)]
|
---|
236 | {exp coef:0} = {
|
---|
237 | 0.15000e+01 0.10000e+01
|
---|
238 | })
|
---|
239 | ]
|
---|
240 | oxygen: "pc-3": [
|
---|
241 | (type: [am=s]
|
---|
242 | {exp coef:0} = {
|
---|
243 | 0.16403e+06 0.26520e-04
|
---|
244 | 0.24567e+05 0.20574e-03
|
---|
245 | 0.55910e+04 0.10826e-02
|
---|
246 | 0.15836e+04 0.45202e-02
|
---|
247 | 0.51667e+03 0.16132e-01
|
---|
248 | 0.18656e+03 0.48733e-01
|
---|
249 | 0.72696e+02 0.12262e+00
|
---|
250 | 0.29992e+02 0.22209e+00
|
---|
251 | 0.12899e+02 0.23890e+00
|
---|
252 | })
|
---|
253 | (type: [am=s]
|
---|
254 | {exp coef:0} = {
|
---|
255 | 0.15836e+04 0.75682e-04
|
---|
256 | 0.51667e+03 0.35568e-03
|
---|
257 | 0.18656e+03 0.43918e-02
|
---|
258 | 0.72696e+02 0.23820e-01
|
---|
259 | 0.29992e+02 0.13830e+00
|
---|
260 | 0.12899e+02 0.43028e+00
|
---|
261 | 0.56135e+01 0.85179e+00
|
---|
262 | })
|
---|
263 | (type: [am=s]
|
---|
264 | {exp coef:0} = {
|
---|
265 | 0.22986e+01 0.10000e+01
|
---|
266 | })
|
---|
267 | (type: [am=s]
|
---|
268 | {exp coef:0} = {
|
---|
269 | 0.99980e+00 0.10000e+01
|
---|
270 | })
|
---|
271 | (type: [am=s]
|
---|
272 | {exp coef:0} = {
|
---|
273 | 0.40746e+00 0.10000e+01
|
---|
274 | })
|
---|
275 | (type: [am=s]
|
---|
276 | {exp coef:0} = {
|
---|
277 | 0.15922e+00 0.10000e+01
|
---|
278 | })
|
---|
279 | (type: [am=p]
|
---|
280 | {exp coef:0} = {
|
---|
281 | 0.27202e+03 0.54881e-03
|
---|
282 | 0.64243e+02 0.45733e-02
|
---|
283 | 0.20249e+02 0.23534e-01
|
---|
284 | 0.76438e+01 0.74362e-01
|
---|
285 | 0.31232e+01 0.18659e+00
|
---|
286 | })
|
---|
287 | (type: [am=p]
|
---|
288 | {exp coef:0} = {
|
---|
289 | 0.13251e+01 0.10000e+01
|
---|
290 | })
|
---|
291 | (type: [am=p]
|
---|
292 | {exp coef:0} = {
|
---|
293 | 0.55551e+00 0.10000e+01
|
---|
294 | })
|
---|
295 | (type: [am=p]
|
---|
296 | {exp coef:0} = {
|
---|
297 | 0.22229e+00 0.10000e+01
|
---|
298 | })
|
---|
299 | (type: [am=p]
|
---|
300 | {exp coef:0} = {
|
---|
301 | 0.84010e-01 0.10000e+01
|
---|
302 | })
|
---|
303 | (type: [(am=d puream=1)]
|
---|
304 | {exp coef:0} = {
|
---|
305 | 0.70000e+01 0.10000e+01
|
---|
306 | })
|
---|
307 | (type: [(am=d puream=1)]
|
---|
308 | {exp coef:0} = {
|
---|
309 | 0.20000e+01 0.10000e+01
|
---|
310 | })
|
---|
311 | (type: [(am=d puream=1)]
|
---|
312 | {exp coef:0} = {
|
---|
313 | 0.80000e+00 0.10000e+01
|
---|
314 | })
|
---|
315 | (type: [(am=d puream=1)]
|
---|
316 | {exp coef:0} = {
|
---|
317 | 0.30000e+00 0.10000e+01
|
---|
318 | })
|
---|
319 | (type: [(am=f puream=1)]
|
---|
320 | {exp coef:0} = {
|
---|
321 | 0.21000e+01 0.10000e+01
|
---|
322 | })
|
---|
323 | (type: [(am=f puream=1)]
|
---|
324 | {exp coef:0} = {
|
---|
325 | 0.90000e+00 0.10000e+01
|
---|
326 | })
|
---|
327 | (type: [(am=g puream=1)]
|
---|
328 | {exp coef:0} = {
|
---|
329 | 0.16000e+01 0.10000e+01
|
---|
330 | })
|
---|
331 | ]
|
---|
332 | fluorine: "pc-3": [
|
---|
333 | (type: [am=s]
|
---|
334 | {exp coef:0} = {
|
---|
335 | 0.21566e+06 0.25377e-04
|
---|
336 | 0.32299e+05 0.19695e-03
|
---|
337 | 0.73504e+04 0.10359e-02
|
---|
338 | 0.20818e+04 0.43300e-02
|
---|
339 | 0.67909e+03 0.15459e-01
|
---|
340 | 0.24510e+03 0.46915e-01
|
---|
341 | 0.95462e+02 0.11877e+00
|
---|
342 | 0.39422e+02 0.21727e+00
|
---|
343 | 0.17018e+02 0.23687e+00
|
---|
344 | })
|
---|
345 | (type: [am=s]
|
---|
346 | {exp coef:0} = {
|
---|
347 | 0.20818e+04 0.65619e-04
|
---|
348 | 0.67909e+03 0.35364e-03
|
---|
349 | 0.24510e+03 0.41021e-02
|
---|
350 | 0.95462e+02 0.23212e-01
|
---|
351 | 0.39422e+02 0.13371e+00
|
---|
352 | 0.17018e+02 0.42345e+00
|
---|
353 | 0.74525e+01 0.86202e+00
|
---|
354 | })
|
---|
355 | (type: [am=s]
|
---|
356 | {exp coef:0} = {
|
---|
357 | 0.31329e+01 0.10000e+01
|
---|
358 | })
|
---|
359 | (type: [am=s]
|
---|
360 | {exp coef:0} = {
|
---|
361 | 0.13395e+01 0.10000e+01
|
---|
362 | })
|
---|
363 | (type: [am=s]
|
---|
364 | {exp coef:0} = {
|
---|
365 | 0.54218e+00 0.10000e+01
|
---|
366 | })
|
---|
367 | (type: [am=s]
|
---|
368 | {exp coef:0} = {
|
---|
369 | 0.20904e+00 0.10000e+01
|
---|
370 | })
|
---|
371 | (type: [am=p]
|
---|
372 | {exp coef:0} = {
|
---|
373 | 0.35122e+03 0.55257e-03
|
---|
374 | 0.82978e+02 0.46211e-02
|
---|
375 | 0.26267e+02 0.23794e-01
|
---|
376 | 0.99307e+01 0.76241e-01
|
---|
377 | 0.40670e+01 0.18912e+00
|
---|
378 | })
|
---|
379 | (type: [am=p]
|
---|
380 | {exp coef:0} = {
|
---|
381 | 0.17246e+01 0.10000e+01
|
---|
382 | })
|
---|
383 | (type: [am=p]
|
---|
384 | {exp coef:0} = {
|
---|
385 | 0.71976e+00 0.10000e+01
|
---|
386 | })
|
---|
387 | (type: [am=p]
|
---|
388 | {exp coef:0} = {
|
---|
389 | 0.28624e+00 0.10000e+01
|
---|
390 | })
|
---|
391 | (type: [am=p]
|
---|
392 | {exp coef:0} = {
|
---|
393 | 0.10789e+00 0.10000e+01
|
---|
394 | })
|
---|
395 | (type: [(am=d puream=1)]
|
---|
396 | {exp coef:0} = {
|
---|
397 | 0.84000e+01 0.10000e+01
|
---|
398 | })
|
---|
399 | (type: [(am=d puream=1)]
|
---|
400 | {exp coef:0} = {
|
---|
401 | 0.26000e+01 0.10000e+01
|
---|
402 | })
|
---|
403 | (type: [(am=d puream=1)]
|
---|
404 | {exp coef:0} = {
|
---|
405 | 0.10000e+01 0.10000e+01
|
---|
406 | })
|
---|
407 | (type: [(am=d puream=1)]
|
---|
408 | {exp coef:0} = {
|
---|
409 | 0.35000e+00 0.10000e+01
|
---|
410 | })
|
---|
411 | (type: [(am=f puream=1)]
|
---|
412 | {exp coef:0} = {
|
---|
413 | 0.26000e+01 0.10000e+01
|
---|
414 | })
|
---|
415 | (type: [(am=f puream=1)]
|
---|
416 | {exp coef:0} = {
|
---|
417 | 0.10500e+01 0.10000e+01
|
---|
418 | })
|
---|
419 | (type: [(am=g puream=1)]
|
---|
420 | {exp coef:0} = {
|
---|
421 | 0.17000e+01 0.10000e+01
|
---|
422 | })
|
---|
423 | ]
|
---|
424 | silicon: "pc-3": [
|
---|
425 | (type: [am=s]
|
---|
426 | {exp coef:0} = {
|
---|
427 | 0.91848e+06 0.12650e-04
|
---|
428 | 0.13759e+06 0.98336e-04
|
---|
429 | 0.31289e+05 0.51783e-03
|
---|
430 | 0.88507e+04 0.21853e-02
|
---|
431 | 0.28819e+04 0.79183e-02
|
---|
432 | 0.10381e+04 0.25222e-01
|
---|
433 | 0.40397e+03 0.70531e-01
|
---|
434 | 0.16697e+03 0.16612e+00
|
---|
435 | 0.72202e+02 0.30560e+00
|
---|
436 | 0.32334e+02 0.35748e+00
|
---|
437 | 0.14771e+02 0.19583e+00
|
---|
438 | 0.59240e+01 0.23686e-01
|
---|
439 | })
|
---|
440 | (type: [am=s]
|
---|
441 | {exp coef:0} = {
|
---|
442 | 0.88507e+04 -0.40074e-05
|
---|
443 | 0.28819e+04 -0.55577e-05
|
---|
444 | 0.10381e+04 -0.15833e-03
|
---|
445 | 0.40397e+03 -0.68701e-03
|
---|
446 | 0.16697e+03 -0.51741e-02
|
---|
447 | 0.72202e+02 -0.19323e-01
|
---|
448 | 0.32334e+02 -0.60309e-01
|
---|
449 | 0.14771e+02 -0.51880e-01
|
---|
450 | 0.59240e+01 0.17152e+00
|
---|
451 | 0.26285e+01 0.30338e+00
|
---|
452 | })
|
---|
453 | (type: [am=s]
|
---|
454 | {exp coef:0} = {
|
---|
455 | 0.10381e+04 0.93287e-05
|
---|
456 | 0.40397e+03 0.67519e-04
|
---|
457 | 0.16697e+03 0.40170e-03
|
---|
458 | 0.72202e+02 0.18138e-02
|
---|
459 | 0.32334e+02 0.55784e-02
|
---|
460 | 0.14771e+02 0.69224e-02
|
---|
461 | 0.59240e+01 -0.26192e-01
|
---|
462 | 0.26285e+01 -0.12508e+00
|
---|
463 | 0.11360e+01 -0.17545e+00
|
---|
464 | })
|
---|
465 | (type: [am=s]
|
---|
466 | {exp coef:0} = {
|
---|
467 | 0.35611e+00 0.10000e+01
|
---|
468 | })
|
---|
469 | (type: [am=s]
|
---|
470 | {exp coef:0} = {
|
---|
471 | 0.16384e+00 0.10000e+01
|
---|
472 | })
|
---|
473 | (type: [am=s]
|
---|
474 | {exp coef:0} = {
|
---|
475 | 0.68062e-01 0.10000e+01
|
---|
476 | })
|
---|
477 | (type: [am=p]
|
---|
478 | {exp coef:0} = {
|
---|
479 | 0.25529e+04 0.10925e-03
|
---|
480 | 0.60606e+03 0.95808e-03
|
---|
481 | 0.19555e+03 0.54477e-02
|
---|
482 | 0.72844e+02 0.23607e-01
|
---|
483 | 0.30401e+02 0.72280e-01
|
---|
484 | 0.13565e+02 0.17561e+00
|
---|
485 | 0.62479e+01 0.30405e+00
|
---|
486 | 0.28977e+01 0.35739e+00
|
---|
487 | 0.13321e+01 0.23612e+00
|
---|
488 | })
|
---|
489 | (type: [am=p]
|
---|
490 | {exp coef:0} = {
|
---|
491 | 0.60606e+03 0.62893e-05
|
---|
492 | 0.19555e+03 -0.38321e-05
|
---|
493 | 0.72844e+02 0.10549e-03
|
---|
494 | 0.30401e+02 -0.41779e-03
|
---|
495 | 0.13565e+02 -0.51137e-03
|
---|
496 | 0.62479e+01 -0.70295e-02
|
---|
497 | 0.28977e+01 -0.43975e-02
|
---|
498 | 0.13321e+01 0.51784e-02
|
---|
499 | 0.58716e+00 0.13923e+00
|
---|
500 | })
|
---|
501 | (type: [am=p]
|
---|
502 | {exp coef:0} = {
|
---|
503 | 0.26362e+00 0.10000e+01
|
---|
504 | })
|
---|
505 | (type: [am=p]
|
---|
506 | {exp coef:0} = {
|
---|
507 | 0.10828e+00 0.10000e+01
|
---|
508 | })
|
---|
509 | (type: [am=p]
|
---|
510 | {exp coef:0} = {
|
---|
511 | 0.41189e-01 0.10000e+01
|
---|
512 | })
|
---|
513 | (type: [(am=d puream=1)]
|
---|
514 | {exp coef:0} = {
|
---|
515 | 0.66600e+01 0.10000e+01
|
---|
516 | })
|
---|
517 | (type: [(am=d puream=1)]
|
---|
518 | {exp coef:0} = {
|
---|
519 | 0.17500e+01 0.10000e+01
|
---|
520 | })
|
---|
521 | (type: [(am=d puream=1)]
|
---|
522 | {exp coef:0} = {
|
---|
523 | 0.52000e+00 0.10000e+01
|
---|
524 | })
|
---|
525 | (type: [(am=d puream=1)]
|
---|
526 | {exp coef:0} = {
|
---|
527 | 0.19000e+00 0.10000e+01
|
---|
528 | })
|
---|
529 | (type: [(am=f puream=1)]
|
---|
530 | {exp coef:0} = {
|
---|
531 | 0.11500e+01 0.10000e+01
|
---|
532 | })
|
---|
533 | (type: [(am=f puream=1)]
|
---|
534 | {exp coef:0} = {
|
---|
535 | 0.38000e+00 0.10000e+01
|
---|
536 | })
|
---|
537 | (type: [(am=g puream=1)]
|
---|
538 | {exp coef:0} = {
|
---|
539 | 0.65000e+00 0.10000e+01
|
---|
540 | })
|
---|
541 | ]
|
---|
542 | phosphorus: "pc-3": [
|
---|
543 | (type: [am=s]
|
---|
544 | {exp coef:0} = {
|
---|
545 | 0.10637e+07 0.12509e-04
|
---|
546 | 0.16000e+06 0.96671e-04
|
---|
547 | 0.36513e+05 0.50682e-03
|
---|
548 | 0.10359e+05 0.21310e-02
|
---|
549 | 0.33828e+04 0.76925e-02
|
---|
550 | 0.12223e+04 0.24421e-01
|
---|
551 | 0.47730e+03 0.68122e-01
|
---|
552 | 0.19809e+03 0.16069e+00
|
---|
553 | 0.85994e+02 0.29867e+00
|
---|
554 | 0.38627e+02 0.35878e+00
|
---|
555 | 0.17688e+02 0.20616e+00
|
---|
556 | 0.72551e+01 0.27386e-01
|
---|
557 | })
|
---|
558 | (type: [am=s]
|
---|
559 | {exp coef:0} = {
|
---|
560 | 0.10359e+05 -0.34502e-05
|
---|
561 | 0.33828e+04 -0.53427e-05
|
---|
562 | 0.12223e+04 -0.13814e-03
|
---|
563 | 0.47730e+03 -0.60882e-03
|
---|
564 | 0.19809e+03 -0.45064e-02
|
---|
565 | 0.85994e+02 -0.17071e-01
|
---|
566 | 0.38627e+02 -0.53954e-01
|
---|
567 | 0.17688e+02 -0.51494e-01
|
---|
568 | 0.72551e+01 0.13758e+00
|
---|
569 | 0.32699e+01 0.27525e+00
|
---|
570 | })
|
---|
571 | (type: [am=s]
|
---|
572 | {exp coef:0} = {
|
---|
573 | 0.12223e+04 0.15801e-04
|
---|
574 | 0.47730e+03 0.11353e-03
|
---|
575 | 0.19809e+03 0.67329e-03
|
---|
576 | 0.85994e+02 0.30314e-02
|
---|
577 | 0.38627e+02 0.92292e-02
|
---|
578 | 0.17688e+02 0.11936e-01
|
---|
579 | 0.72551e+01 -0.35725e-01
|
---|
580 | 0.32699e+01 -0.15875e+00
|
---|
581 | 0.14313e+01 -0.21236e+00
|
---|
582 | })
|
---|
583 | (type: [am=s]
|
---|
584 | {exp coef:0} = {
|
---|
585 | 0.47047e+00 0.10000e+01
|
---|
586 | })
|
---|
587 | (type: [am=s]
|
---|
588 | {exp coef:0} = {
|
---|
589 | 0.21289e+00 0.10000e+01
|
---|
590 | })
|
---|
591 | (type: [am=s]
|
---|
592 | {exp coef:0} = {
|
---|
593 | 0.87742e-01 0.10000e+01
|
---|
594 | })
|
---|
595 | (type: [am=p]
|
---|
596 | {exp coef:0} = {
|
---|
597 | 0.27622e+04 0.12618e-03
|
---|
598 | 0.65478e+03 0.11048e-02
|
---|
599 | 0.21258e+03 0.61483e-02
|
---|
600 | 0.79895e+02 0.26307e-01
|
---|
601 | 0.33366e+02 0.79866e-01
|
---|
602 | 0.14986e+02 0.18840e+00
|
---|
603 | 0.69680e+01 0.31362e+00
|
---|
604 | 0.32818e+01 0.35326e+00
|
---|
605 | 0.15247e+01 0.21366e+00
|
---|
606 | })
|
---|
607 | (type: [am=p]
|
---|
608 | {exp coef:0} = {
|
---|
609 | 0.65478e+03 0.59592e-05
|
---|
610 | 0.21258e+03 -0.68086e-05
|
---|
611 | 0.79895e+02 0.74513e-04
|
---|
612 | 0.33366e+02 -0.60664e-03
|
---|
613 | 0.14986e+02 -0.12604e-02
|
---|
614 | 0.69680e+01 -0.94719e-02
|
---|
615 | 0.32818e+01 -0.44014e-02
|
---|
616 | 0.15247e+01 0.12466e-01
|
---|
617 | 0.66924e+00 0.21343e+00
|
---|
618 | })
|
---|
619 | (type: [am=p]
|
---|
620 | {exp coef:0} = {
|
---|
621 | 0.29929e+00 0.10000e+01
|
---|
622 | })
|
---|
623 | (type: [am=p]
|
---|
624 | {exp coef:0} = {
|
---|
625 | 0.12811e+00 0.10000e+01
|
---|
626 | })
|
---|
627 | (type: [am=p]
|
---|
628 | {exp coef:0} = {
|
---|
629 | 0.50992e-01 0.10000e+01
|
---|
630 | })
|
---|
631 | (type: [(am=d puream=1)]
|
---|
632 | {exp coef:0} = {
|
---|
633 | 0.77100e+01 0.10000e+01
|
---|
634 | })
|
---|
635 | (type: [(am=d puream=1)]
|
---|
636 | {exp coef:0} = {
|
---|
637 | 0.20300e+01 0.10000e+01
|
---|
638 | })
|
---|
639 | (type: [(am=d puream=1)]
|
---|
640 | {exp coef:0} = {
|
---|
641 | 0.60000e+00 0.10000e+01
|
---|
642 | })
|
---|
643 | (type: [(am=d puream=1)]
|
---|
644 | {exp coef:0} = {
|
---|
645 | 0.22000e+00 0.10000e+01
|
---|
646 | })
|
---|
647 | (type: [(am=f puream=1)]
|
---|
648 | {exp coef:0} = {
|
---|
649 | 0.13400e+01 0.10000e+01
|
---|
650 | })
|
---|
651 | (type: [(am=f puream=1)]
|
---|
652 | {exp coef:0} = {
|
---|
653 | 0.45000e+00 0.10000e+01
|
---|
654 | })
|
---|
655 | (type: [(am=g puream=1)]
|
---|
656 | {exp coef:0} = {
|
---|
657 | 0.72000e+00 0.10000e+01
|
---|
658 | })
|
---|
659 | ]
|
---|
660 | sulfur: "pc-3": [
|
---|
661 | (type: [am=s]
|
---|
662 | {exp coef:0} = {
|
---|
663 | 0.12504e+07 0.12023e-04
|
---|
664 | 0.18808e+06 0.92935e-04
|
---|
665 | 0.42918e+05 0.48720e-03
|
---|
666 | 0.12179e+05 0.20479e-02
|
---|
667 | 0.39787e+04 0.73897e-02
|
---|
668 | 0.14381e+04 0.23481e-01
|
---|
669 | 0.56167e+03 0.65685e-01
|
---|
670 | 0.23311e+03 0.15597e+00
|
---|
671 | 0.10122e+03 0.29322e+00
|
---|
672 | 0.45493e+02 0.36011e+00
|
---|
673 | 0.20847e+02 0.21506e+00
|
---|
674 | 0.86492e+01 0.30782e-01
|
---|
675 | })
|
---|
676 | (type: [am=s]
|
---|
677 | {exp coef:0} = {
|
---|
678 | 0.12179e+05 -0.30383e-05
|
---|
679 | 0.39787e+04 -0.46456e-05
|
---|
680 | 0.14381e+04 -0.12316e-03
|
---|
681 | 0.56167e+03 -0.54723e-03
|
---|
682 | 0.23311e+03 -0.40702e-02
|
---|
683 | 0.10122e+03 -0.15652e-01
|
---|
684 | 0.45493e+02 -0.50309e-01
|
---|
685 | 0.20847e+02 -0.51517e-01
|
---|
686 | 0.86492e+01 0.11823e+00
|
---|
687 | 0.39456e+01 0.25628e+00
|
---|
688 | })
|
---|
689 | (type: [am=s]
|
---|
690 | {exp coef:0} = {
|
---|
691 | 0.14381e+04 0.19556e-04
|
---|
692 | 0.56167e+03 0.14386e-03
|
---|
693 | 0.23311e+03 0.84419e-03
|
---|
694 | 0.10122e+03 0.38621e-02
|
---|
695 | 0.45493e+02 0.11813e-01
|
---|
696 | 0.20847e+02 0.16114e-01
|
---|
697 | 0.86492e+01 -0.41492e-01
|
---|
698 | 0.39456e+01 -0.18517e+00
|
---|
699 | 0.17472e+01 -0.23963e+00
|
---|
700 | })
|
---|
701 | (type: [am=s]
|
---|
702 | {exp coef:0} = {
|
---|
703 | 0.59953e+00 0.10000e+01
|
---|
704 | })
|
---|
705 | (type: [am=s]
|
---|
706 | {exp coef:0} = {
|
---|
707 | 0.27127e+00 0.10000e+01
|
---|
708 | })
|
---|
709 | (type: [am=s]
|
---|
710 | {exp coef:0} = {
|
---|
711 | 0.11080e+00 0.10000e+01
|
---|
712 | })
|
---|
713 | (type: [am=p]
|
---|
714 | {exp coef:0} = {
|
---|
715 | 0.32858e+04 0.12062e-03
|
---|
716 | 0.77893e+03 0.10587e-02
|
---|
717 | 0.25276e+03 0.59191e-02
|
---|
718 | 0.95100e+02 0.25405e-01
|
---|
719 | 0.39820e+02 0.77859e-01
|
---|
720 | 0.17925e+02 0.18578e+00
|
---|
721 | 0.83699e+01 0.31347e+00
|
---|
722 | 0.39655e+01 0.35718e+00
|
---|
723 | 0.18540e+01 0.21179e+00
|
---|
724 | })
|
---|
725 | (type: [am=p]
|
---|
726 | {exp coef:0} = {
|
---|
727 | 0.77893e+03 0.42397e-05
|
---|
728 | 0.25276e+03 -0.74333e-05
|
---|
729 | 0.95100e+02 0.27726e-04
|
---|
730 | 0.39820e+02 -0.65028e-03
|
---|
731 | 0.17925e+02 -0.18933e-02
|
---|
732 | 0.83699e+01 -0.10191e-01
|
---|
733 | 0.39655e+01 -0.76291e-02
|
---|
734 | 0.18540e+01 0.21032e-01
|
---|
735 | 0.81971e+00 0.24347e+00
|
---|
736 | })
|
---|
737 | (type: [am=p]
|
---|
738 | {exp coef:0} = {
|
---|
739 | 0.36117e+00 0.10000e+01
|
---|
740 | })
|
---|
741 | (type: [am=p]
|
---|
742 | {exp coef:0} = {
|
---|
743 | 0.15097e+00 0.10000e+01
|
---|
744 | })
|
---|
745 | (type: [am=p]
|
---|
746 | {exp coef:0} = {
|
---|
747 | 0.59620e-01 0.10000e+01
|
---|
748 | })
|
---|
749 | (type: [(am=d puream=1)]
|
---|
750 | {exp coef:0} = {
|
---|
751 | 0.87600e+01 0.10000e+01
|
---|
752 | })
|
---|
753 | (type: [(am=d puream=1)]
|
---|
754 | {exp coef:0} = {
|
---|
755 | 0.23000e+01 0.10000e+01
|
---|
756 | })
|
---|
757 | (type: [(am=d puream=1)]
|
---|
758 | {exp coef:0} = {
|
---|
759 | 0.68000e+00 0.10000e+01
|
---|
760 | })
|
---|
761 | (type: [(am=d puream=1)]
|
---|
762 | {exp coef:0} = {
|
---|
763 | 0.25000e+00 0.10000e+01
|
---|
764 | })
|
---|
765 | (type: [(am=f puream=1)]
|
---|
766 | {exp coef:0} = {
|
---|
767 | 0.15300e+01 0.10000e+01
|
---|
768 | })
|
---|
769 | (type: [(am=f puream=1)]
|
---|
770 | {exp coef:0} = {
|
---|
771 | 0.51000e+00 0.10000e+01
|
---|
772 | })
|
---|
773 | (type: [(am=g puream=1)]
|
---|
774 | {exp coef:0} = {
|
---|
775 | 0.79000e+00 0.10000e+01
|
---|
776 | })
|
---|
777 | ]
|
---|
778 | chlorine: "pc-3": [
|
---|
779 | (type: [am=s]
|
---|
780 | {exp coef:0} = {
|
---|
781 | 0.14611e+07 0.11534e-04
|
---|
782 | 0.21959e+06 0.89235e-04
|
---|
783 | 0.50085e+05 0.46811e-03
|
---|
784 | 0.14206e+05 0.19692e-02
|
---|
785 | 0.46389e+04 0.71112e-02
|
---|
786 | 0.16763e+04 0.22625e-01
|
---|
787 | 0.65451e+03 0.63488e-01
|
---|
788 | 0.27153e+03 0.15173e+00
|
---|
789 | 0.11787e+03 0.28826e+00
|
---|
790 | 0.52984e+02 0.36113e+00
|
---|
791 | 0.24292e+02 0.22303e+00
|
---|
792 | 0.10184e+02 0.34031e-01
|
---|
793 | })
|
---|
794 | (type: [am=s]
|
---|
795 | {exp coef:0} = {
|
---|
796 | 0.14206e+05 -0.27093e-05
|
---|
797 | 0.46389e+04 -0.43191e-05
|
---|
798 | 0.16763e+04 -0.10907e-03
|
---|
799 | 0.65451e+03 -0.48853e-03
|
---|
800 | 0.27153e+03 -0.36327e-02
|
---|
801 | 0.11787e+03 -0.14142e-01
|
---|
802 | 0.52984e+02 -0.46167e-01
|
---|
803 | 0.24292e+02 -0.50107e-01
|
---|
804 | 0.10184e+02 0.99999e-01
|
---|
805 | 0.46928e+01 0.23750e+00
|
---|
806 | })
|
---|
807 | (type: [am=s]
|
---|
808 | {exp coef:0} = {
|
---|
809 | 0.46389e+04 0.28740e-05
|
---|
810 | 0.16763e+04 0.24949e-04
|
---|
811 | 0.65451e+03 0.18272e-03
|
---|
812 | 0.27153e+03 0.10821e-02
|
---|
813 | 0.11787e+03 0.49846e-02
|
---|
814 | 0.52984e+02 0.15414e-01
|
---|
815 | 0.24292e+02 0.21774e-01
|
---|
816 | 0.10184e+02 -0.48881e-01
|
---|
817 | 0.46928e+01 -0.21808e+00
|
---|
818 | 0.20974e+01 -0.27412e+00
|
---|
819 | })
|
---|
820 | (type: [am=s]
|
---|
821 | {exp coef:0} = {
|
---|
822 | 0.74867e+00 0.10000e+01
|
---|
823 | })
|
---|
824 | (type: [am=s]
|
---|
825 | {exp coef:0} = {
|
---|
826 | 0.33613e+00 0.10000e+01
|
---|
827 | })
|
---|
828 | (type: [am=s]
|
---|
829 | {exp coef:0} = {
|
---|
830 | 0.13573e+00 0.10000e+01
|
---|
831 | })
|
---|
832 | (type: [am=p]
|
---|
833 | {exp coef:0} = {
|
---|
834 | 0.38457e+04 0.11653e-03
|
---|
835 | 0.91123e+03 0.10250e-02
|
---|
836 | 0.29564e+03 0.57481e-02
|
---|
837 | 0.11140e+03 0.24700e-01
|
---|
838 | 0.46767e+02 0.76263e-01
|
---|
839 | 0.21106e+02 0.18343e+00
|
---|
840 | 0.99058e+01 0.31219e+00
|
---|
841 | 0.47347e+01 0.35836e+00
|
---|
842 | 0.22364e+01 0.21176e+00
|
---|
843 | })
|
---|
844 | (type: [am=p]
|
---|
845 | {exp coef:0} = {
|
---|
846 | 0.91123e+03 0.35761e-05
|
---|
847 | 0.29564e+03 -0.77768e-05
|
---|
848 | 0.11140e+03 0.67666e-05
|
---|
849 | 0.46767e+02 -0.69394e-03
|
---|
850 | 0.21106e+02 -0.22563e-02
|
---|
851 | 0.99058e+01 -0.11018e-01
|
---|
852 | 0.47347e+01 -0.93663e-02
|
---|
853 | 0.22364e+01 0.25171e-01
|
---|
854 | 0.10071e+01 0.25574e+00
|
---|
855 | })
|
---|
856 | (type: [am=p]
|
---|
857 | {exp coef:0} = {
|
---|
858 | 0.44369e+00 0.10000e+01
|
---|
859 | })
|
---|
860 | (type: [am=p]
|
---|
861 | {exp coef:0} = {
|
---|
862 | 0.18488e+00 0.10000e+01
|
---|
863 | })
|
---|
864 | (type: [am=p]
|
---|
865 | {exp coef:0} = {
|
---|
866 | 0.73268e-01 0.10000e+01
|
---|
867 | })
|
---|
868 | (type: [(am=d puream=1)]
|
---|
869 | {exp coef:0} = {
|
---|
870 | 0.98100e+01 0.10000e+01
|
---|
871 | })
|
---|
872 | (type: [(am=d puream=1)]
|
---|
873 | {exp coef:0} = {
|
---|
874 | 0.25800e+01 0.10000e+01
|
---|
875 | })
|
---|
876 | (type: [(am=d puream=1)]
|
---|
877 | {exp coef:0} = {
|
---|
878 | 0.76000e+00 0.10000e+01
|
---|
879 | })
|
---|
880 | (type: [(am=d puream=1)]
|
---|
881 | {exp coef:0} = {
|
---|
882 | 0.28000e+00 0.10000e+01
|
---|
883 | })
|
---|
884 | (type: [(am=f puream=1)]
|
---|
885 | {exp coef:0} = {
|
---|
886 | 0.17200e+01 0.10000e+01
|
---|
887 | })
|
---|
888 | (type: [(am=f puream=1)]
|
---|
889 | {exp coef:0} = {
|
---|
890 | 0.57000e+00 0.10000e+01
|
---|
891 | })
|
---|
892 | (type: [(am=g puream=1)]
|
---|
893 | {exp coef:0} = {
|
---|
894 | 0.86000e+00 0.10000e+01
|
---|
895 | })
|
---|
896 | ]
|
---|
897 | )
|
---|
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