Action_Thermostats
Add_AtomRandomPerturbation
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChangeBugEmailaddress
ChemicalSpaceEvaluator
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_oldresults
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Rev | Line | |
---|
[0b990d] | 1 | basis: (
|
---|
| 2 | hydrogen: "pc-2": [
|
---|
| 3 | (type: [am=s]
|
---|
| 4 | {exp coef:0} = {
|
---|
| 5 | 0.75423e+02 0.24065e-02
|
---|
| 6 | 0.11350e+02 0.18487e-01
|
---|
| 7 | 0.25993e+01 0.89742e-01
|
---|
| 8 | 0.73513e+00 0.28111e+00
|
---|
| 9 | })
|
---|
| 10 | (type: [am=s]
|
---|
| 11 | {exp coef:0} = {
|
---|
| 12 | 0.23167e+00 0.10000e+01
|
---|
| 13 | })
|
---|
| 14 | (type: [am=s]
|
---|
| 15 | {exp coef:0} = {
|
---|
| 16 | 0.74147e-01 0.10000e+01
|
---|
| 17 | })
|
---|
| 18 | (type: [am=p]
|
---|
| 19 | {exp coef:0} = {
|
---|
| 20 | 0.16000e+01 0.10000e+01
|
---|
| 21 | })
|
---|
| 22 | (type: [am=p]
|
---|
| 23 | {exp coef:0} = {
|
---|
| 24 | 0.45000e+00 0.10000e+01
|
---|
| 25 | })
|
---|
| 26 | (type: [(am=d puream=1)]
|
---|
| 27 | {exp coef:0} = {
|
---|
| 28 | 0.12500e+01 0.10000e+01
|
---|
| 29 | })
|
---|
| 30 | ]
|
---|
| 31 | carbon: "pc-2": [
|
---|
| 32 | (type: [am=s]
|
---|
| 33 | {exp coef:0} = {
|
---|
| 34 | 0.78571e+04 0.56822e-03
|
---|
| 35 | 0.11787e+04 0.43912e-02
|
---|
| 36 | 0.26832e+03 0.22503e-01
|
---|
| 37 | 0.75948e+02 0.86643e-01
|
---|
| 38 | 0.24559e+02 0.24406e+00
|
---|
| 39 | 0.86212e+01 0.44133e+00
|
---|
| 40 | 0.31278e+01 0.35342e+00
|
---|
| 41 | })
|
---|
| 42 | (type: [am=s]
|
---|
| 43 | {exp coef:0} = {
|
---|
| 44 | 0.11787e+04 0.96183e-06
|
---|
| 45 | 0.26832e+03 0.62126e-04
|
---|
| 46 | 0.75948e+02 0.77125e-03
|
---|
| 47 | 0.24559e+02 0.73217e-02
|
---|
| 48 | 0.86212e+01 0.39106e-01
|
---|
| 49 | 0.31278e+01 0.89222e-01
|
---|
| 50 | 0.82202e+00 -0.21859e+00
|
---|
| 51 | })
|
---|
| 52 | (type: [am=s]
|
---|
| 53 | {exp coef:0} = {
|
---|
| 54 | 0.33017e+00 0.10000e+01
|
---|
| 55 | })
|
---|
| 56 | (type: [am=s]
|
---|
| 57 | {exp coef:0} = {
|
---|
| 58 | 0.11463e+00 0.10000e+01
|
---|
| 59 | })
|
---|
| 60 | (type: [am=p]
|
---|
| 61 | {exp coef:0} = {
|
---|
| 62 | 0.33775e+02 0.59791e-02
|
---|
| 63 | 0.76766e+01 0.43276e-01
|
---|
| 64 | 0.22357e+01 0.16125e+00
|
---|
| 65 | 0.76447e+00 0.36373e+00
|
---|
| 66 | })
|
---|
| 67 | (type: [am=p]
|
---|
| 68 | {exp coef:0} = {
|
---|
| 69 | 0.26232e+00 0.10000e+01
|
---|
| 70 | })
|
---|
| 71 | (type: [am=p]
|
---|
| 72 | {exp coef:0} = {
|
---|
| 73 | 0.84638e-01 0.10000e+01
|
---|
| 74 | })
|
---|
| 75 | (type: [(am=d puream=1)]
|
---|
| 76 | {exp coef:0} = {
|
---|
| 77 | 0.14000e+01 0.10000e+01
|
---|
| 78 | })
|
---|
| 79 | (type: [(am=d puream=1)]
|
---|
| 80 | {exp coef:0} = {
|
---|
| 81 | 0.45000e+00 0.10000e+01
|
---|
| 82 | })
|
---|
| 83 | (type: [(am=f puream=1)]
|
---|
| 84 | {exp coef:0} = {
|
---|
| 85 | 0.95000e+00 0.10000e+01
|
---|
| 86 | })
|
---|
| 87 | ]
|
---|
| 88 | nitrogen: "pc-2": [
|
---|
| 89 | (type: [am=s]
|
---|
| 90 | {exp coef:0} = {
|
---|
| 91 | 0.11101e+05 0.54570e-03
|
---|
| 92 | 0.16653e+04 0.42181e-02
|
---|
| 93 | 0.37908e+03 0.21645e-01
|
---|
| 94 | 0.10730e+03 0.83776e-01
|
---|
| 95 | 0.34747e+02 0.23881e+00
|
---|
| 96 | 0.12249e+02 0.43994e+00
|
---|
| 97 | 0.44743e+01 0.36364e+00
|
---|
| 98 | })
|
---|
| 99 | (type: [am=s]
|
---|
| 100 | {exp coef:0} = {
|
---|
| 101 | 0.16653e+04 0.15006e-05
|
---|
| 102 | 0.37908e+03 0.58753e-04
|
---|
| 103 | 0.10730e+03 0.77453e-03
|
---|
| 104 | 0.34747e+02 0.72161e-02
|
---|
| 105 | 0.12249e+02 0.39338e-01
|
---|
| 106 | 0.44743e+01 0.90611e-01
|
---|
| 107 | 0.12404e+01 -0.19882e+00
|
---|
| 108 | })
|
---|
| 109 | (type: [am=s]
|
---|
| 110 | {exp coef:0} = {
|
---|
| 111 | 0.48743e+00 0.10000e+01
|
---|
| 112 | })
|
---|
| 113 | (type: [am=s]
|
---|
| 114 | {exp coef:0} = {
|
---|
| 115 | 0.16484e+00 0.10000e+01
|
---|
| 116 | })
|
---|
| 117 | (type: [am=p]
|
---|
| 118 | {exp coef:0} = {
|
---|
| 119 | 0.47934e+02 0.61706e-02
|
---|
| 120 | 0.10999e+02 0.44260e-01
|
---|
| 121 | 0.32472e+01 0.16825e+00
|
---|
| 122 | 0.11114e+01 0.36848e+00
|
---|
| 123 | })
|
---|
| 124 | (type: [am=p]
|
---|
| 125 | {exp coef:0} = {
|
---|
| 126 | 0.37988e+00 0.10000e+01
|
---|
| 127 | })
|
---|
| 128 | (type: [am=p]
|
---|
| 129 | {exp coef:0} = {
|
---|
| 130 | 0.12068e+00 0.10000e+01
|
---|
| 131 | })
|
---|
| 132 | (type: [(am=d puream=1)]
|
---|
| 133 | {exp coef:0} = {
|
---|
| 134 | 0.18000e+01 0.10000e+01
|
---|
| 135 | })
|
---|
| 136 | (type: [(am=d puream=1)]
|
---|
| 137 | {exp coef:0} = {
|
---|
| 138 | 0.55000e+00 0.10000e+01
|
---|
| 139 | })
|
---|
| 140 | (type: [(am=f puream=1)]
|
---|
| 141 | {exp coef:0} = {
|
---|
| 142 | 0.10200e+01 0.10000e+01
|
---|
| 143 | })
|
---|
| 144 | ]
|
---|
| 145 | oxygen: "pc-2": [
|
---|
| 146 | (type: [am=s]
|
---|
| 147 | {exp coef:0} = {
|
---|
| 148 | 0.14782e+05 0.53516e-03
|
---|
| 149 | 0.22173e+04 0.41373e-02
|
---|
| 150 | 0.50474e+03 0.21244e-01
|
---|
| 151 | 0.14287e+03 0.82447e-01
|
---|
| 152 | 0.46300e+02 0.23670e+00
|
---|
| 153 | 0.16337e+02 0.44028e+00
|
---|
| 154 | 0.59828e+01 0.36473e+00
|
---|
| 155 | })
|
---|
| 156 | (type: [am=s]
|
---|
| 157 | {exp coef:0} = {
|
---|
| 158 | 0.22173e+04 0.21421e-05
|
---|
| 159 | 0.50474e+03 0.57894e-04
|
---|
| 160 | 0.14287e+03 0.80314e-03
|
---|
| 161 | 0.46300e+02 0.73144e-02
|
---|
| 162 | 0.16337e+02 0.40696e-01
|
---|
| 163 | 0.59828e+01 0.91877e-01
|
---|
| 164 | 0.16718e+01 -0.21057e+00
|
---|
| 165 | })
|
---|
| 166 | (type: [am=s]
|
---|
| 167 | {exp coef:0} = {
|
---|
| 168 | 0.64662e+00 0.10000e+01
|
---|
| 169 | })
|
---|
| 170 | (type: [am=s]
|
---|
| 171 | {exp coef:0} = {
|
---|
| 172 | 0.21669e+00 0.10000e+01
|
---|
| 173 | })
|
---|
| 174 | (type: [am=p]
|
---|
| 175 | {exp coef:0} = {
|
---|
| 176 | 0.60424e+02 0.68724e-02
|
---|
| 177 | 0.13935e+02 0.49025e-01
|
---|
| 178 | 0.41531e+01 0.18189e+00
|
---|
| 179 | 0.14158e+01 0.37559e+00
|
---|
| 180 | })
|
---|
| 181 | (type: [am=p]
|
---|
| 182 | {exp coef:0} = {
|
---|
| 183 | 0.47549e+00 0.10000e+01
|
---|
| 184 | })
|
---|
| 185 | (type: [am=p]
|
---|
| 186 | {exp coef:0} = {
|
---|
| 187 | 0.14529e+00 0.10000e+01
|
---|
| 188 | })
|
---|
| 189 | (type: [(am=d puream=1)]
|
---|
| 190 | {exp coef:0} = {
|
---|
| 191 | 0.22000e+01 0.10000e+01
|
---|
| 192 | })
|
---|
| 193 | (type: [(am=d puream=1)]
|
---|
| 194 | {exp coef:0} = {
|
---|
| 195 | 0.65000e+00 0.10000e+01
|
---|
| 196 | })
|
---|
| 197 | (type: [(am=f puream=1)]
|
---|
| 198 | {exp coef:0} = {
|
---|
| 199 | 0.11000e+01 0.10000e+01
|
---|
| 200 | })
|
---|
| 201 | ]
|
---|
| 202 | fluorine: "pc-2": [
|
---|
| 203 | (type: [am=s]
|
---|
| 204 | {exp coef:0} = {
|
---|
| 205 | 0.19127e+05 0.52247e-03
|
---|
| 206 | 0.28689e+04 0.40398e-02
|
---|
| 207 | 0.65304e+03 0.20758e-01
|
---|
| 208 | 0.18485e+03 0.80796e-01
|
---|
| 209 | 0.59949e+02 0.23360e+00
|
---|
| 210 | 0.21190e+02 0.43957e+00
|
---|
| 211 | 0.77846e+01 0.37047e+00
|
---|
| 212 | })
|
---|
| 213 | (type: [am=s]
|
---|
| 214 | {exp coef:0} = {
|
---|
| 215 | 0.28689e+04 0.23704e-05
|
---|
| 216 | 0.65304e+03 0.56239e-04
|
---|
| 217 | 0.18485e+03 0.80276e-03
|
---|
| 218 | 0.59949e+02 0.72679e-02
|
---|
| 219 | 0.21190e+02 0.40910e-01
|
---|
| 220 | 0.77846e+01 0.93109e-01
|
---|
| 221 | 0.22305e+01 -0.20301e+00
|
---|
| 222 | })
|
---|
| 223 | (type: [am=s]
|
---|
| 224 | {exp coef:0} = {
|
---|
| 225 | 0.85409e+00 0.10000e+01
|
---|
| 226 | })
|
---|
| 227 | (type: [am=s]
|
---|
| 228 | {exp coef:0} = {
|
---|
| 229 | 0.28336e+00 0.10000e+01
|
---|
| 230 | })
|
---|
| 231 | (type: [am=p]
|
---|
| 232 | {exp coef:0} = {
|
---|
| 233 | 0.77639e+02 0.70197e-02
|
---|
| 234 | 0.17965e+02 0.50148e-01
|
---|
| 235 | 0.54005e+01 0.18513e+00
|
---|
| 236 | 0.18423e+01 0.37517e+00
|
---|
| 237 | })
|
---|
| 238 | (type: [am=p]
|
---|
| 239 | {exp coef:0} = {
|
---|
| 240 | 0.61532e+00 0.10000e+01
|
---|
| 241 | })
|
---|
| 242 | (type: [am=p]
|
---|
| 243 | {exp coef:0} = {
|
---|
| 244 | 0.18489e+00 0.10000e+01
|
---|
| 245 | })
|
---|
| 246 | (type: [(am=d puream=1)]
|
---|
| 247 | {exp coef:0} = {
|
---|
| 248 | 0.28000e+01 0.10000e+01
|
---|
| 249 | })
|
---|
| 250 | (type: [(am=d puream=1)]
|
---|
| 251 | {exp coef:0} = {
|
---|
| 252 | 0.80000e+00 0.10000e+01
|
---|
| 253 | })
|
---|
| 254 | (type: [(am=f puream=1)]
|
---|
| 255 | {exp coef:0} = {
|
---|
| 256 | 0.12000e+01 0.10000e+01
|
---|
| 257 | })
|
---|
| 258 | ]
|
---|
| 259 | silicon: "pc-2": [
|
---|
| 260 | (type: [am=s]
|
---|
| 261 | {exp coef:0} = {
|
---|
| 262 | 0.12004e+06 0.16075e-03
|
---|
| 263 | 0.17991e+05 0.12472e-02
|
---|
| 264 | 0.40948e+04 0.65040e-02
|
---|
| 265 | 0.11596e+04 0.26665e-01
|
---|
| 266 | 0.37800e+03 0.88816e-01
|
---|
| 267 | 0.13593e+03 0.22932e+00
|
---|
| 268 | 0.52411e+02 0.40025e+00
|
---|
| 269 | 0.20927e+02 0.33828e+00
|
---|
| 270 | 0.77130e+01 0.65512e-01
|
---|
| 271 | })
|
---|
| 272 | (type: [am=s]
|
---|
| 273 | {exp coef:0} = {
|
---|
| 274 | 0.40948e+04 -0.21124e-05
|
---|
| 275 | 0.11596e+04 -0.69157e-04
|
---|
| 276 | 0.37800e+03 -0.48080e-03
|
---|
| 277 | 0.13593e+03 -0.41694e-02
|
---|
| 278 | 0.52411e+02 -0.17674e-01
|
---|
| 279 | 0.20927e+02 -0.42891e-01
|
---|
| 280 | 0.77130e+01 0.45368e-01
|
---|
| 281 | 0.31604e+01 0.13904e+00
|
---|
| 282 | })
|
---|
| 283 | (type: [am=s]
|
---|
| 284 | {exp coef:0} = {
|
---|
| 285 | 0.40948e+04 0.39897e-05
|
---|
| 286 | 0.11596e+04 0.50203e-04
|
---|
| 287 | 0.37800e+03 0.57553e-03
|
---|
| 288 | 0.13593e+03 0.41524e-02
|
---|
| 289 | 0.52411e+02 0.20437e-01
|
---|
| 290 | 0.20927e+02 0.46998e-01
|
---|
| 291 | 0.77130e+01 -0.43986e-01
|
---|
| 292 | 0.31604e+01 -0.33957e+00
|
---|
| 293 | 0.12348e+01 -0.35038e+00
|
---|
| 294 | })
|
---|
| 295 | (type: [am=s]
|
---|
| 296 | {exp coef:0} = {
|
---|
| 297 | 0.26775e+00 0.10000e+01
|
---|
| 298 | })
|
---|
| 299 | (type: [am=s]
|
---|
| 300 | {exp coef:0} = {
|
---|
| 301 | 0.94067e-01 0.10000e+01
|
---|
| 302 | })
|
---|
| 303 | (type: [am=p]
|
---|
| 304 | {exp coef:0} = {
|
---|
| 305 | 0.67713e+03 0.10925e-02
|
---|
| 306 | 0.16067e+03 0.89601e-02
|
---|
| 307 | 0.51585e+02 0.44744e-01
|
---|
| 308 | 0.18948e+02 0.14748e+00
|
---|
| 309 | 0.76163e+01 0.31480e+00
|
---|
| 310 | 0.31317e+01 0.41339e+00
|
---|
| 311 | 0.12703e+01 0.26440e+00
|
---|
| 312 | })
|
---|
| 313 | (type: [am=p]
|
---|
| 314 | {exp coef:0} = {
|
---|
| 315 | 0.16067e+03 0.79014e-05
|
---|
| 316 | 0.51585e+02 -0.13613e-03
|
---|
| 317 | 0.18948e+02 -0.90378e-03
|
---|
| 318 | 0.76163e+01 -0.55863e-02
|
---|
| 319 | 0.31317e+01 -0.10141e-01
|
---|
| 320 | 0.12703e+01 0.18661e-01
|
---|
| 321 | 0.43332e+00 0.28890e+00
|
---|
| 322 | })
|
---|
| 323 | (type: [am=p]
|
---|
| 324 | {exp coef:0} = {
|
---|
| 325 | 0.16088e+00 0.10000e+01
|
---|
| 326 | })
|
---|
| 327 | (type: [am=p]
|
---|
| 328 | {exp coef:0} = {
|
---|
| 329 | 0.54883e-01 0.10000e+01
|
---|
| 330 | })
|
---|
| 331 | (type: [(am=d puream=1)]
|
---|
| 332 | {exp coef:0} = {
|
---|
| 333 | 0.16800e+01 0.10000e+01
|
---|
| 334 | })
|
---|
| 335 | (type: [(am=d puream=1)]
|
---|
| 336 | {exp coef:0} = {
|
---|
| 337 | 0.38000e+00 0.10000e+01
|
---|
| 338 | })
|
---|
| 339 | (type: [(am=f puream=1)]
|
---|
| 340 | {exp coef:0} = {
|
---|
| 341 | 0.54000e+00 0.10000e+01
|
---|
| 342 | })
|
---|
| 343 | ]
|
---|
| 344 | phosphorus: "pc-2": [
|
---|
| 345 | (type: [am=s]
|
---|
| 346 | {exp coef:0} = {
|
---|
| 347 | 0.14568e+06 0.15016e-03
|
---|
| 348 | 0.21836e+05 0.11650e-02
|
---|
| 349 | 0.49699e+04 0.60798e-02
|
---|
| 350 | 0.14073e+04 0.24968e-01
|
---|
| 351 | 0.45878e+03 0.83637e-01
|
---|
| 352 | 0.16508e+03 0.21863e+00
|
---|
| 353 | 0.63744e+02 0.39234e+00
|
---|
| 354 | 0.25598e+02 0.35038e+00
|
---|
| 355 | 0.99307e+01 0.77287e-01
|
---|
| 356 | })
|
---|
| 357 | (type: [am=s]
|
---|
| 358 | {exp coef:0} = {
|
---|
| 359 | 0.14073e+04 -0.87601e-04
|
---|
| 360 | 0.45878e+03 -0.52745e-03
|
---|
| 361 | 0.16508e+03 -0.49575e-02
|
---|
| 362 | 0.63744e+02 -0.20535e-01
|
---|
| 363 | 0.25598e+02 -0.55030e-01
|
---|
| 364 | 0.99307e+01 0.41583e-01
|
---|
| 365 | 0.39686e+01 0.17029e+00
|
---|
| 366 | })
|
---|
| 367 | (type: [am=s]
|
---|
| 368 | {exp coef:0} = {
|
---|
| 369 | 0.14073e+04 0.30955e-04
|
---|
| 370 | 0.45878e+03 0.35776e-03
|
---|
| 371 | 0.16508e+03 0.26123e-02
|
---|
| 372 | 0.63744e+02 0.13204e-01
|
---|
| 373 | 0.25598e+02 0.32848e-01
|
---|
| 374 | 0.99307e+01 -0.18182e-01
|
---|
| 375 | 0.39686e+01 -0.25722e+00
|
---|
| 376 | 0.15565e+01 -0.30682e+00
|
---|
| 377 | })
|
---|
| 378 | (type: [am=s]
|
---|
| 379 | {exp coef:0} = {
|
---|
| 380 | 0.35404e+00 0.10000e+01
|
---|
| 381 | })
|
---|
| 382 | (type: [am=s]
|
---|
| 383 | {exp coef:0} = {
|
---|
| 384 | 0.12394e+00 0.10000e+01
|
---|
| 385 | })
|
---|
| 386 | (type: [am=p]
|
---|
| 387 | {exp coef:0} = {
|
---|
| 388 | 0.82623e+03 0.10225e-02
|
---|
| 389 | 0.19602e+03 0.84472e-02
|
---|
| 390 | 0.62951e+02 0.42664e-01
|
---|
| 391 | 0.23222e+02 0.14239e+00
|
---|
| 392 | 0.93885e+01 0.31059e+00
|
---|
| 393 | 0.38997e+01 0.41672e+00
|
---|
| 394 | 0.16048e+01 0.26618e+00
|
---|
| 395 | })
|
---|
| 396 | (type: [am=p]
|
---|
| 397 | {exp coef:0} = {
|
---|
| 398 | 0.19602e+03 0.41082e-05
|
---|
| 399 | 0.62951e+02 -0.15057e-03
|
---|
| 400 | 0.23222e+02 -0.11141e-02
|
---|
| 401 | 0.93885e+01 -0.64942e-02
|
---|
| 402 | 0.38997e+01 -0.12469e-01
|
---|
| 403 | 0.16048e+01 0.23458e-01
|
---|
| 404 | 0.56053e+00 0.32270e+00
|
---|
| 405 | })
|
---|
| 406 | (type: [am=p]
|
---|
| 407 | {exp coef:0} = {
|
---|
| 408 | 0.21175e+00 0.10000e+01
|
---|
| 409 | })
|
---|
| 410 | (type: [am=p]
|
---|
| 411 | {exp coef:0} = {
|
---|
| 412 | 0.73486e-01 0.10000e+01
|
---|
| 413 | })
|
---|
| 414 | (type: [(am=d puream=1)]
|
---|
| 415 | {exp coef:0} = {
|
---|
| 416 | 0.18900e+01 0.10000e+01
|
---|
| 417 | })
|
---|
| 418 | (type: [(am=d puream=1)]
|
---|
| 419 | {exp coef:0} = {
|
---|
| 420 | 0.43000e+00 0.10000e+01
|
---|
| 421 | })
|
---|
| 422 | (type: [(am=f puream=1)]
|
---|
| 423 | {exp coef:0} = {
|
---|
| 424 | 0.60000e+00 0.10000e+01
|
---|
| 425 | })
|
---|
| 426 | ]
|
---|
| 427 | sulfur: "pc-2": [
|
---|
| 428 | (type: [am=s]
|
---|
| 429 | {exp coef:0} = {
|
---|
| 430 | 0.17203e+06 0.14353e-03
|
---|
| 431 | 0.25783e+05 0.11137e-02
|
---|
| 432 | 0.58682e+04 0.58143e-02
|
---|
| 433 | 0.16617e+04 0.23903e-01
|
---|
| 434 | 0.54175e+03 0.80354e-01
|
---|
| 435 | 0.19501e+03 0.21175e+00
|
---|
| 436 | 0.75396e+02 0.38664e+00
|
---|
| 437 | 0.30407e+02 0.35747e+00
|
---|
| 438 | 0.12121e+02 0.86131e-01
|
---|
| 439 | })
|
---|
| 440 | (type: [am=s]
|
---|
| 441 | {exp coef:0} = {
|
---|
| 442 | 0.16617e+04 -0.90480e-04
|
---|
| 443 | 0.54175e+03 -0.50105e-03
|
---|
| 444 | 0.19501e+03 -0.49510e-02
|
---|
| 445 | 0.75396e+02 -0.20252e-01
|
---|
| 446 | 0.30407e+02 -0.57388e-01
|
---|
| 447 | 0.12121e+02 0.34847e-01
|
---|
| 448 | 0.47777e+01 0.16833e+00
|
---|
| 449 | })
|
---|
| 450 | (type: [am=s]
|
---|
| 451 | {exp coef:0} = {
|
---|
| 452 | 0.16617e+04 0.28367e-04
|
---|
| 453 | 0.54175e+03 0.32591e-03
|
---|
| 454 | 0.19501e+03 0.24131e-02
|
---|
| 455 | 0.75396e+02 0.12352e-01
|
---|
| 456 | 0.30407e+02 0.32119e-01
|
---|
| 457 | 0.12121e+02 -0.11611e-01
|
---|
| 458 | 0.47777e+01 -0.25542e+00
|
---|
| 459 | 0.18906e+01 -0.31384e+00
|
---|
| 460 | })
|
---|
| 461 | (type: [am=s]
|
---|
| 462 | {exp coef:0} = {
|
---|
| 463 | 0.44686e+00 0.10000e+01
|
---|
| 464 | })
|
---|
| 465 | (type: [am=s]
|
---|
| 466 | {exp coef:0} = {
|
---|
| 467 | 0.15621e+00 0.10000e+01
|
---|
| 468 | })
|
---|
| 469 | (type: [am=p]
|
---|
| 470 | {exp coef:0} = {
|
---|
| 471 | 0.96812e+03 0.10048e-02
|
---|
| 472 | 0.22970e+03 0.83313e-02
|
---|
| 473 | 0.73833e+02 0.42260e-01
|
---|
| 474 | 0.27312e+02 0.14206e+00
|
---|
| 475 | 0.11074e+02 0.31256e+00
|
---|
| 476 | 0.46307e+01 0.41933e+00
|
---|
| 477 | 0.19299e+01 0.25924e+00
|
---|
| 478 | })
|
---|
| 479 | (type: [am=p]
|
---|
| 480 | {exp coef:0} = {
|
---|
| 481 | 0.22970e+03 -0.80693e-05
|
---|
| 482 | 0.73833e+02 -0.16943e-03
|
---|
| 483 | 0.27312e+02 -0.15243e-02
|
---|
| 484 | 0.11074e+02 -0.71993e-02
|
---|
| 485 | 0.46307e+01 -0.16113e-01
|
---|
| 486 | 0.19299e+01 0.34234e-01
|
---|
| 487 | 0.68783e+00 0.35518e+00
|
---|
| 488 | })
|
---|
| 489 | (type: [am=p]
|
---|
| 490 | {exp coef:0} = {
|
---|
| 491 | 0.25663e+00 0.10000e+01
|
---|
| 492 | })
|
---|
| 493 | (type: [am=p]
|
---|
| 494 | {exp coef:0} = {
|
---|
| 495 | 0.87251e-01 0.10000e+01
|
---|
| 496 | })
|
---|
| 497 | (type: [(am=d puream=1)]
|
---|
| 498 | {exp coef:0} = {
|
---|
| 499 | 0.21000e+01 0.10000e+01
|
---|
| 500 | })
|
---|
| 501 | (type: [(am=d puream=1)]
|
---|
| 502 | {exp coef:0} = {
|
---|
| 503 | 0.48000e+00 0.10000e+01
|
---|
| 504 | })
|
---|
| 505 | (type: [(am=f puream=1)]
|
---|
| 506 | {exp coef:0} = {
|
---|
| 507 | 0.66000e+00 0.10000e+01
|
---|
| 508 | })
|
---|
| 509 | ]
|
---|
| 510 | chlorine: "pc-2": [
|
---|
| 511 | (type: [am=s]
|
---|
| 512 | {exp coef:0} = {
|
---|
| 513 | 0.20115e+06 0.13753e-03
|
---|
| 514 | 0.30146e+05 0.10671e-02
|
---|
| 515 | 0.68610e+04 0.55737e-02
|
---|
| 516 | 0.19428e+04 0.22935e-01
|
---|
| 517 | 0.63342e+03 0.77354e-01
|
---|
| 518 | 0.22810e+03 0.20534e+00
|
---|
| 519 | 0.88288e+02 0.38093e+00
|
---|
| 520 | 0.35750e+02 0.36361e+00
|
---|
| 521 | 0.14571e+02 0.95182e-01
|
---|
| 522 | })
|
---|
| 523 | (type: [am=s]
|
---|
| 524 | {exp coef:0} = {
|
---|
| 525 | 0.19428e+04 -0.94653e-04
|
---|
| 526 | 0.63342e+03 -0.48337e-03
|
---|
| 527 | 0.22810e+03 -0.50009e-02
|
---|
| 528 | 0.88288e+02 -0.20230e-01
|
---|
| 529 | 0.35750e+02 -0.60209e-01
|
---|
| 530 | 0.14571e+02 0.29195e-01
|
---|
| 531 | 0.56580e+01 0.16993e+00
|
---|
| 532 | })
|
---|
| 533 | (type: [am=s]
|
---|
| 534 | {exp coef:0} = {
|
---|
| 535 | 0.19428e+04 0.24868e-04
|
---|
| 536 | 0.63342e+03 0.28967e-03
|
---|
| 537 | 0.22810e+03 0.21513e-02
|
---|
| 538 | 0.88288e+02 0.11195e-01
|
---|
| 539 | 0.35750e+02 0.30180e-01
|
---|
| 540 | 0.14571e+02 -0.59456e-02
|
---|
| 541 | 0.56580e+01 -0.24702e+00
|
---|
| 542 | 0.22554e+01 -0.31412e+00
|
---|
| 543 | })
|
---|
| 544 | (type: [am=s]
|
---|
| 545 | {exp coef:0} = {
|
---|
| 546 | 0.54947e+00 0.10000e+01
|
---|
| 547 | })
|
---|
| 548 | (type: [am=s]
|
---|
| 549 | {exp coef:0} = {
|
---|
| 550 | 0.19126e+00 0.10000e+01
|
---|
| 551 | })
|
---|
| 552 | (type: [am=p]
|
---|
| 553 | {exp coef:0} = {
|
---|
| 554 | 0.11299e+04 0.97621e-03
|
---|
| 555 | 0.26806e+03 0.81260e-02
|
---|
| 556 | 0.86222e+02 0.41433e-01
|
---|
| 557 | 0.31979e+02 0.14035e+00
|
---|
| 558 | 0.13008e+02 0.31207e+00
|
---|
| 559 | 0.54766e+01 0.42099e+00
|
---|
| 560 | 0.23090e+01 0.25664e+00
|
---|
| 561 | })
|
---|
| 562 | (type: [am=p]
|
---|
| 563 | {exp coef:0} = {
|
---|
| 564 | 0.26806e+03 -0.11596e-04
|
---|
| 565 | 0.86222e+02 -0.18289e-03
|
---|
| 566 | 0.31979e+02 -0.17170e-02
|
---|
| 567 | 0.13008e+02 -0.78974e-02
|
---|
| 568 | 0.54766e+01 -0.18237e-01
|
---|
| 569 | 0.23090e+01 0.40035e-01
|
---|
| 570 | 0.84601e+00 0.36717e+00
|
---|
| 571 | })
|
---|
| 572 | (type: [am=p]
|
---|
| 573 | {exp coef:0} = {
|
---|
| 574 | 0.31659e+00 0.10000e+01
|
---|
| 575 | })
|
---|
| 576 | (type: [am=p]
|
---|
| 577 | {exp coef:0} = {
|
---|
| 578 | 0.10716e+00 0.10000e+01
|
---|
| 579 | })
|
---|
| 580 | (type: [(am=d puream=1)]
|
---|
| 581 | {exp coef:0} = {
|
---|
| 582 | 0.23100e+01 0.10000e+01
|
---|
| 583 | })
|
---|
| 584 | (type: [(am=d puream=1)]
|
---|
| 585 | {exp coef:0} = {
|
---|
| 586 | 0.52000e+00 0.10000e+01
|
---|
| 587 | })
|
---|
| 588 | (type: [(am=f puream=1)]
|
---|
| 589 | {exp coef:0} = {
|
---|
| 590 | 0.72000e+00 0.10000e+01
|
---|
| 591 | })
|
---|
| 592 | ]
|
---|
| 593 | )
|
---|
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