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-1-aug": [
|
|---|
| 3 | (type: [am=s]
|
|---|
| 4 | {exp coef:0} = {
|
|---|
| 5 | 0.12252e+02 0.22822e-01
|
|---|
| 6 | 0.18687e+01 0.15564e+00
|
|---|
| 7 | 0.41821e+00 0.48898e+00
|
|---|
| 8 | })
|
|---|
| 9 | (type: [am=s]
|
|---|
| 10 | {exp coef:0} = {
|
|---|
| 11 | 0.10610e+00 0.10000e+01
|
|---|
| 12 | })
|
|---|
| 13 | (type: [am=p]
|
|---|
| 14 | {exp coef:0} = {
|
|---|
| 15 | 0.10000e+01 0.10000e+01
|
|---|
| 16 | })
|
|---|
| 17 | (type: [am=s]
|
|---|
| 18 | {exp coef:0} = {
|
|---|
| 19 | 0.25628e-01 0.10000e+01
|
|---|
| 20 | })
|
|---|
| 21 | (type: [am=p]
|
|---|
| 22 | {exp coef:0} = {
|
|---|
| 23 | 0.76884e-01 0.10000e+01
|
|---|
| 24 | })
|
|---|
| 25 | ]
|
|---|
| 26 | carbon: "pc-1-aug": [
|
|---|
| 27 | (type: [am=s]
|
|---|
| 28 | {exp coef:0} = {
|
|---|
| 29 | 0.12526e+04 0.55734e-02
|
|---|
| 30 | 0.18857e+03 0.41492e-01
|
|---|
| 31 | 0.42839e+02 0.18263e+00
|
|---|
| 32 | 0.11818e+02 0.46118e+00
|
|---|
| 33 | 0.35567e+01 0.44940e+00
|
|---|
| 34 | })
|
|---|
| 35 | (type: [am=s]
|
|---|
| 36 | {exp coef:0} = {
|
|---|
| 37 | 0.18857e+03 0.27745e-03
|
|---|
| 38 | 0.42839e+02 0.25602e-02
|
|---|
| 39 | 0.11818e+02 0.33485e-01
|
|---|
| 40 | 0.35567e+01 0.87579e-01
|
|---|
| 41 | 0.54258e+00 -0.53739e+00
|
|---|
| 42 | })
|
|---|
| 43 | (type: [am=s]
|
|---|
| 44 | {exp coef:0} = {
|
|---|
| 45 | 0.16058e+00 0.10000e+01
|
|---|
| 46 | })
|
|---|
| 47 | (type: [am=p]
|
|---|
| 48 | {exp coef:0} = {
|
|---|
| 49 | 0.91426e+01 0.44464e-01
|
|---|
| 50 | 0.19298e+01 0.22886e+00
|
|---|
| 51 | 0.52522e+00 0.51223e+00
|
|---|
| 52 | })
|
|---|
| 53 | (type: [am=p]
|
|---|
| 54 | {exp coef:0} = {
|
|---|
| 55 | 0.13608e+00 0.10000e+01
|
|---|
| 56 | })
|
|---|
| 57 | (type: [(am=d puream=1)]
|
|---|
| 58 | {exp coef:0} = {
|
|---|
| 59 | 0.80000e+00 0.10000e+01
|
|---|
| 60 | })
|
|---|
| 61 | (type: [am=s]
|
|---|
| 62 | {exp coef:0} = {
|
|---|
| 63 | 0.44856e-01 0.10000e+01
|
|---|
| 64 | })
|
|---|
| 65 | (type: [am=p]
|
|---|
| 66 | {exp coef:0} = {
|
|---|
| 67 | 0.33518e-01 0.10000e+01
|
|---|
| 68 | })
|
|---|
| 69 | (type: [(am=d puream=1)]
|
|---|
| 70 | {exp coef:0} = {
|
|---|
| 71 | 0.10055e+00 0.10000e+01
|
|---|
| 72 | })
|
|---|
| 73 | ]
|
|---|
| 74 | nitrogen: "pc-1-aug": [
|
|---|
| 75 | (type: [am=s]
|
|---|
| 76 | {exp coef:0} = {
|
|---|
| 77 | 0.17422e+04 0.54603e-02
|
|---|
| 78 | 0.26221e+03 0.40706e-01
|
|---|
| 79 | 0.59585e+02 0.18038e+00
|
|---|
| 80 | 0.16489e+02 0.46009e+00
|
|---|
| 81 | 0.49945e+01 0.45173e+00
|
|---|
| 82 | })
|
|---|
| 83 | (type: [am=s]
|
|---|
| 84 | {exp coef:0} = {
|
|---|
| 85 | 0.26221e+03 0.30104e-03
|
|---|
| 86 | 0.59585e+02 0.25511e-02
|
|---|
| 87 | 0.16489e+02 0.34900e-01
|
|---|
| 88 | 0.49945e+01 0.87429e-01
|
|---|
| 89 | 0.78673e+00 -0.52660e+00
|
|---|
| 90 | })
|
|---|
| 91 | (type: [am=s]
|
|---|
| 92 | {exp coef:0} = {
|
|---|
| 93 | 0.22837e+00 0.10000e+01
|
|---|
| 94 | })
|
|---|
| 95 | (type: [am=p]
|
|---|
| 96 | {exp coef:0} = {
|
|---|
| 97 | 0.13132e+02 0.45515e-01
|
|---|
| 98 | 0.28108e+01 0.23740e+00
|
|---|
| 99 | 0.76351e+00 0.51392e+00
|
|---|
| 100 | })
|
|---|
| 101 | (type: [am=p]
|
|---|
| 102 | {exp coef:0} = {
|
|---|
| 103 | 0.19560e+00 0.10000e+01
|
|---|
| 104 | })
|
|---|
| 105 | (type: [(am=d puream=1)]
|
|---|
| 106 | {exp coef:0} = {
|
|---|
| 107 | 0.90000e+00 0.10000e+01
|
|---|
| 108 | })
|
|---|
| 109 | (type: [am=s]
|
|---|
| 110 | {exp coef:0} = {
|
|---|
| 111 | 0.62739e-01 0.10000e+01
|
|---|
| 112 | })
|
|---|
| 113 | (type: [am=p]
|
|---|
| 114 | {exp coef:0} = {
|
|---|
| 115 | 0.47707e-01 0.10000e+01
|
|---|
| 116 | })
|
|---|
| 117 | (type: [(am=d puream=1)]
|
|---|
| 118 | {exp coef:0} = {
|
|---|
| 119 | 0.14312e+00 0.10000e+01
|
|---|
| 120 | })
|
|---|
| 121 | ]
|
|---|
| 122 | oxygen: "pc-1-aug": [
|
|---|
| 123 | (type: [am=s]
|
|---|
| 124 | {exp coef:0} = {
|
|---|
| 125 | 0.23067e+04 0.53938e-02
|
|---|
| 126 | 0.34715e+03 0.40244e-01
|
|---|
| 127 | 0.78890e+02 0.17921e+00
|
|---|
| 128 | 0.21876e+02 0.45968e+00
|
|---|
| 129 | 0.66646e+01 0.45241e+00
|
|---|
| 130 | })
|
|---|
| 131 | (type: [am=s]
|
|---|
| 132 | {exp coef:0} = {
|
|---|
| 133 | 0.34715e+03 0.31840e-03
|
|---|
| 134 | 0.78890e+02 0.25952e-02
|
|---|
| 135 | 0.21876e+02 0.36317e-01
|
|---|
| 136 | 0.66646e+01 0.88039e-01
|
|---|
| 137 | 0.10669e+01 -0.53589e+00
|
|---|
| 138 | })
|
|---|
| 139 | (type: [am=s]
|
|---|
| 140 | {exp coef:0} = {
|
|---|
| 141 | 0.30700e+00 0.10000e+01
|
|---|
| 142 | })
|
|---|
| 143 | (type: [am=p]
|
|---|
| 144 | {exp coef:0} = {
|
|---|
| 145 | 0.17022e+02 0.48906e-01
|
|---|
| 146 | 0.36838e+01 0.24878e+00
|
|---|
| 147 | 0.99234e+00 0.51295e+00
|
|---|
| 148 | })
|
|---|
| 149 | (type: [am=p]
|
|---|
| 150 | {exp coef:0} = {
|
|---|
| 151 | 0.24487e+00 0.10000e+01
|
|---|
| 152 | })
|
|---|
| 153 | (type: [(am=d puream=1)]
|
|---|
| 154 | {exp coef:0} = {
|
|---|
| 155 | 0.10000e+01 0.10000e+01
|
|---|
| 156 | })
|
|---|
| 157 | (type: [am=s]
|
|---|
| 158 | {exp coef:0} = {
|
|---|
| 159 | 0.83425e-01 0.10000e+01
|
|---|
| 160 | })
|
|---|
| 161 | (type: [am=p]
|
|---|
| 162 | {exp coef:0} = {
|
|---|
| 163 | 0.57616e-01 0.10000e+01
|
|---|
| 164 | })
|
|---|
| 165 | (type: [(am=d puream=1)]
|
|---|
| 166 | {exp coef:0} = {
|
|---|
| 167 | 0.17285e+00 0.10000e+01
|
|---|
| 168 | })
|
|---|
| 169 | ]
|
|---|
| 170 | fluorine: "pc-1-aug": [
|
|---|
| 171 | (type: [am=s]
|
|---|
| 172 | {exp coef:0} = {
|
|---|
| 173 | 0.29546e+04 0.53336e-02
|
|---|
| 174 | 0.44462e+03 0.39824e-01
|
|---|
| 175 | 0.10105e+03 0.17802e+00
|
|---|
| 176 | 0.28068e+02 0.45910e+00
|
|---|
| 177 | 0.85837e+01 0.45358e+00
|
|---|
| 178 | })
|
|---|
| 179 | (type: [am=s]
|
|---|
| 180 | {exp coef:0} = {
|
|---|
| 181 | 0.44462e+03 0.33106e-03
|
|---|
| 182 | 0.10105e+03 0.26085e-02
|
|---|
| 183 | 0.28068e+02 0.37216e-01
|
|---|
| 184 | 0.85837e+01 0.88336e-01
|
|---|
| 185 | 0.13986e+01 -0.53303e+00
|
|---|
| 186 | })
|
|---|
| 187 | (type: [am=s]
|
|---|
| 188 | {exp coef:0} = {
|
|---|
| 189 | 0.39969e+00 0.10000e+01
|
|---|
| 190 | })
|
|---|
| 191 | (type: [am=p]
|
|---|
| 192 | {exp coef:0} = {
|
|---|
| 193 | 0.21883e+02 0.50238e-01
|
|---|
| 194 | 0.47769e+01 0.25374e+00
|
|---|
| 195 | 0.12823e+01 0.51223e+00
|
|---|
| 196 | })
|
|---|
| 197 | (type: [am=p]
|
|---|
| 198 | {exp coef:0} = {
|
|---|
| 199 | 0.31127e+00 0.10000e+01
|
|---|
| 200 | })
|
|---|
| 201 | (type: [(am=d puream=1)]
|
|---|
| 202 | {exp coef:0} = {
|
|---|
| 203 | 0.11000e+01 0.10000e+01
|
|---|
| 204 | })
|
|---|
| 205 | (type: [am=s]
|
|---|
| 206 | {exp coef:0} = {
|
|---|
| 207 | 0.10802e+00 0.10000e+01
|
|---|
| 208 | })
|
|---|
| 209 | (type: [am=p]
|
|---|
| 210 | {exp coef:0} = {
|
|---|
| 211 | 0.72054e-01 0.10000e+01
|
|---|
| 212 | })
|
|---|
| 213 | (type: [(am=d puream=1)]
|
|---|
| 214 | {exp coef:0} = {
|
|---|
| 215 | 0.21616e+00 0.10000e+01
|
|---|
| 216 | })
|
|---|
| 217 | ]
|
|---|
| 218 | silicon: "pc-1-aug": [
|
|---|
| 219 | (type: [am=s]
|
|---|
| 220 | {exp coef:0} = {
|
|---|
| 221 | 0.41263e+05 0.60948e-03
|
|---|
| 222 | 0.61896e+04 0.47040e-02
|
|---|
| 223 | 0.14087e+04 0.24136e-01
|
|---|
| 224 | 0.39877e+03 0.92762e-01
|
|---|
| 225 | 0.12969e+03 0.26047e+00
|
|---|
| 226 | 0.46425e+02 0.44181e+00
|
|---|
| 227 | 0.17455e+02 0.30755e+00
|
|---|
| 228 | 0.42222e+01 0.29197e-01
|
|---|
| 229 | })
|
|---|
| 230 | (type: [am=s]
|
|---|
| 231 | {exp coef:0} = {
|
|---|
| 232 | 0.61896e+04 -0.22459e-04
|
|---|
| 233 | 0.14087e+04 -0.41760e-04
|
|---|
| 234 | 0.39877e+03 -0.18570e-02
|
|---|
| 235 | 0.12969e+03 -0.95113e-02
|
|---|
| 236 | 0.46425e+02 -0.65800e-01
|
|---|
| 237 | 0.17455e+02 -0.77546e-01
|
|---|
| 238 | 0.42222e+01 0.50303e+00
|
|---|
| 239 | 0.14933e+01 0.63824e+00
|
|---|
| 240 | })
|
|---|
| 241 | (type: [am=s]
|
|---|
| 242 | {exp coef:0} = {
|
|---|
| 243 | 0.39877e+03 0.74278e-04
|
|---|
| 244 | 0.12969e+03 0.74023e-03
|
|---|
| 245 | 0.46425e+02 0.40107e-02
|
|---|
| 246 | 0.17455e+02 0.80137e-02
|
|---|
| 247 | 0.42222e+01 -0.74091e-01
|
|---|
| 248 | 0.14933e+01 -0.21382e+00
|
|---|
| 249 | 0.27174e+00 0.61263e+00
|
|---|
| 250 | })
|
|---|
| 251 | (type: [am=s]
|
|---|
| 252 | {exp coef:0} = {
|
|---|
| 253 | 0.98502e-01 0.10000e+01
|
|---|
| 254 | })
|
|---|
| 255 | (type: [am=p]
|
|---|
| 256 | {exp coef:0} = {
|
|---|
| 257 | 0.31073e+03 0.41198e-02
|
|---|
| 258 | 0.72823e+02 0.31981e-01
|
|---|
| 259 | 0.22985e+02 0.13224e+00
|
|---|
| 260 | 0.83213e+01 0.32779e+00
|
|---|
| 261 | 0.31353e+01 0.45107e+00
|
|---|
| 262 | 0.11693e+01 0.26345e+00
|
|---|
| 263 | })
|
|---|
| 264 | (type: [am=p]
|
|---|
| 265 | {exp coef:0} = {
|
|---|
| 266 | 0.72823e+02 0.12637e-03
|
|---|
| 267 | 0.22985e+02 -0.10252e-02
|
|---|
| 268 | 0.83213e+01 -0.21337e-02
|
|---|
| 269 | 0.31353e+01 -0.18774e-01
|
|---|
| 270 | 0.11693e+01 0.57528e-01
|
|---|
| 271 | 0.29281e+00 0.53571e+00
|
|---|
| 272 | })
|
|---|
| 273 | (type: [am=p]
|
|---|
| 274 | {exp coef:0} = {
|
|---|
| 275 | 0.82704e-01 0.10000e+01
|
|---|
| 276 | })
|
|---|
| 277 | (type: [(am=d puream=1)]
|
|---|
| 278 | {exp coef:0} = {
|
|---|
| 279 | 0.45000e+00 0.10000e+01
|
|---|
| 280 | })
|
|---|
| 281 | (type: [am=s]
|
|---|
| 282 | {exp coef:0} = {
|
|---|
| 283 | 0.33293e-01 0.10000e+01
|
|---|
| 284 | })
|
|---|
| 285 | (type: [am=p]
|
|---|
| 286 | {exp coef:0} = {
|
|---|
| 287 | 0.22111e-01 0.10000e+01
|
|---|
| 288 | })
|
|---|
| 289 | (type: [(am=d puream=1)]
|
|---|
| 290 | {exp coef:0} = {
|
|---|
| 291 | 0.66332e-01 0.10000e+01
|
|---|
| 292 | })
|
|---|
| 293 | ]
|
|---|
| 294 | phosphorus: "pc-1-aug": [
|
|---|
| 295 | (type: [am=s]
|
|---|
| 296 | {exp coef:0} = {
|
|---|
| 297 | 0.48073e+05 0.59919e-03
|
|---|
| 298 | 0.72114e+04 0.46241e-02
|
|---|
| 299 | 0.16417e+04 0.23724e-01
|
|---|
| 300 | 0.46492e+03 0.91303e-01
|
|---|
| 301 | 0.15128e+03 0.25750e+00
|
|---|
| 302 | 0.54189e+02 0.44080e+00
|
|---|
| 303 | 0.20397e+02 0.31175e+00
|
|---|
| 304 | 0.50241e+01 0.31118e-01
|
|---|
| 305 | })
|
|---|
| 306 | (type: [am=s]
|
|---|
| 307 | {exp coef:0} = {
|
|---|
| 308 | 0.72114e+04 -0.21309e-04
|
|---|
| 309 | 0.16417e+04 -0.44215e-04
|
|---|
| 310 | 0.46492e+03 -0.18221e-02
|
|---|
| 311 | 0.15128e+03 -0.96366e-02
|
|---|
| 312 | 0.54189e+02 -0.66072e-01
|
|---|
| 313 | 0.20397e+02 -0.81824e-01
|
|---|
| 314 | 0.50241e+01 0.49850e+00
|
|---|
| 315 | 0.18246e+01 0.64492e+00
|
|---|
| 316 | })
|
|---|
| 317 | (type: [am=s]
|
|---|
| 318 | {exp coef:0} = {
|
|---|
| 319 | 0.16417e+04 0.71340e-05
|
|---|
| 320 | 0.46492e+03 0.84500e-04
|
|---|
| 321 | 0.15128e+03 0.85919e-03
|
|---|
| 322 | 0.54189e+02 0.46478e-02
|
|---|
| 323 | 0.20397e+02 0.95811e-02
|
|---|
| 324 | 0.50241e+01 -0.84066e-01
|
|---|
| 325 | 0.18246e+01 -0.23124e+00
|
|---|
| 326 | 0.35871e+00 0.62350e+00
|
|---|
| 327 | })
|
|---|
| 328 | (type: [am=s]
|
|---|
| 329 | {exp coef:0} = {
|
|---|
| 330 | 0.12887e+00 0.10000e+01
|
|---|
| 331 | })
|
|---|
| 332 | (type: [am=p]
|
|---|
| 333 | {exp coef:0} = {
|
|---|
| 334 | 0.36624e+03 0.40977e-02
|
|---|
| 335 | 0.85931e+02 0.31956e-01
|
|---|
| 336 | 0.27172e+02 0.13326e+00
|
|---|
| 337 | 0.98685e+01 0.33228e+00
|
|---|
| 338 | 0.37533e+01 0.45335e+00
|
|---|
| 339 | 0.14302e+01 0.25058e+00
|
|---|
| 340 | })
|
|---|
| 341 | (type: [am=p]
|
|---|
| 342 | {exp coef:0} = {
|
|---|
| 343 | 0.85931e+02 0.12506e-03
|
|---|
| 344 | 0.27172e+02 -0.12166e-02
|
|---|
| 345 | 0.98685e+01 -0.31813e-02
|
|---|
| 346 | 0.37533e+01 -0.21475e-01
|
|---|
| 347 | 0.14302e+01 0.69991e-01
|
|---|
| 348 | 0.38653e+00 0.56081e+00
|
|---|
| 349 | })
|
|---|
| 350 | (type: [am=p]
|
|---|
| 351 | {exp coef:0} = {
|
|---|
| 352 | 0.11146e+00 0.10000e+01
|
|---|
| 353 | })
|
|---|
| 354 | (type: [(am=d puream=1)]
|
|---|
| 355 | {exp coef:0} = {
|
|---|
| 356 | 0.50000e+00 0.10000e+01
|
|---|
| 357 | })
|
|---|
| 358 | (type: [am=s]
|
|---|
| 359 | {exp coef:0} = {
|
|---|
| 360 | 0.43194e-01 0.10000e+01
|
|---|
| 361 | })
|
|---|
| 362 | (type: [am=p]
|
|---|
| 363 | {exp coef:0} = {
|
|---|
| 364 | 0.30386e-01 0.10000e+01
|
|---|
| 365 | })
|
|---|
| 366 | (type: [(am=d puream=1)]
|
|---|
| 367 | {exp coef:0} = {
|
|---|
| 368 | 0.91157e-01 0.10000e+01
|
|---|
| 369 | })
|
|---|
| 370 | ]
|
|---|
| 371 | sulfur: "pc-1-aug": [
|
|---|
| 372 | (type: [am=s]
|
|---|
| 373 | {exp coef:0} = {
|
|---|
| 374 | 0.55510e+05 0.58899e-03
|
|---|
| 375 | 0.83267e+04 0.45460e-02
|
|---|
| 376 | 0.18956e+04 0.23335e-01
|
|---|
| 377 | 0.53677e+03 0.89965e-01
|
|---|
| 378 | 0.17467e+03 0.25486e+00
|
|---|
| 379 | 0.62578e+02 0.43998e+00
|
|---|
| 380 | 0.23573e+02 0.31549e+00
|
|---|
| 381 | 0.58908e+01 0.32826e-01
|
|---|
| 382 | })
|
|---|
| 383 | (type: [am=s]
|
|---|
| 384 | {exp coef:0} = {
|
|---|
| 385 | 0.83267e+04 -0.20480e-04
|
|---|
| 386 | 0.18956e+04 -0.45429e-04
|
|---|
| 387 | 0.53677e+03 -0.17937e-02
|
|---|
| 388 | 0.17467e+03 -0.97252e-02
|
|---|
| 389 | 0.62578e+02 -0.66399e-01
|
|---|
| 390 | 0.23573e+02 -0.85502e-01
|
|---|
| 391 | 0.58908e+01 0.49588e+00
|
|---|
| 392 | 0.21852e+01 0.64988e+00
|
|---|
| 393 | })
|
|---|
| 394 | (type: [am=s]
|
|---|
| 395 | {exp coef:0} = {
|
|---|
| 396 | 0.18956e+04 0.83461e-05
|
|---|
| 397 | 0.53677e+03 0.98306e-04
|
|---|
| 398 | 0.17467e+03 0.10040e-02
|
|---|
| 399 | 0.62578e+02 0.54409e-02
|
|---|
| 400 | 0.23573e+02 0.11400e-01
|
|---|
| 401 | 0.58908e+01 -0.95134e-01
|
|---|
| 402 | 0.21852e+01 -0.24735e+00
|
|---|
| 403 | 0.45282e+00 0.63973e+00
|
|---|
| 404 | })
|
|---|
| 405 | (type: [am=s]
|
|---|
| 406 | {exp coef:0} = {
|
|---|
| 407 | 0.16202e+00 0.10000e+01
|
|---|
| 408 | })
|
|---|
| 409 | (type: [am=p]
|
|---|
| 410 | {exp coef:0} = {
|
|---|
| 411 | 0.39545e+03 0.46266e-02
|
|---|
| 412 | 0.92834e+02 0.35898e-01
|
|---|
| 413 | 0.29266e+02 0.14854e+00
|
|---|
| 414 | 0.10595e+02 0.35878e+00
|
|---|
| 415 | 0.40272e+01 0.45417e+00
|
|---|
| 416 | 0.15484e+01 0.20545e+00
|
|---|
| 417 | })
|
|---|
| 418 | (type: [am=p]
|
|---|
| 419 | {exp coef:0} = {
|
|---|
| 420 | 0.92834e+02 0.10934e-03
|
|---|
| 421 | 0.29266e+02 -0.16358e-02
|
|---|
| 422 | 0.10595e+02 -0.50632e-02
|
|---|
| 423 | 0.40272e+01 -0.23960e-01
|
|---|
| 424 | 0.15484e+01 0.10388e+00
|
|---|
| 425 | 0.46134e+00 0.58063e+00
|
|---|
| 426 | })
|
|---|
| 427 | (type: [am=p]
|
|---|
| 428 | {exp coef:0} = {
|
|---|
| 429 | 0.13131e+00 0.10000e+01
|
|---|
| 430 | })
|
|---|
| 431 | (type: [(am=d puream=1)]
|
|---|
| 432 | {exp coef:0} = {
|
|---|
| 433 | 0.55000e+00 0.10000e+01
|
|---|
| 434 | })
|
|---|
| 435 | (type: [am=s]
|
|---|
| 436 | {exp coef:0} = {
|
|---|
| 437 | 0.54100e-01 0.10000e+01
|
|---|
| 438 | })
|
|---|
| 439 | (type: [am=p]
|
|---|
| 440 | {exp coef:0} = {
|
|---|
| 441 | 0.35364e-01 0.10000e+01
|
|---|
| 442 | })
|
|---|
| 443 | (type: [(am=d puream=1)]
|
|---|
| 444 | {exp coef:0} = {
|
|---|
| 445 | 0.10609e+00 0.10000e+01
|
|---|
| 446 | })
|
|---|
| 447 | ]
|
|---|
| 448 | chlorine: "pc-1-aug": [
|
|---|
| 449 | (type: [am=s]
|
|---|
| 450 | {exp coef:0} = {
|
|---|
| 451 | 0.63474e+05 0.58028e-03
|
|---|
| 452 | 0.95213e+04 0.44792e-02
|
|---|
| 453 | 0.21674e+04 0.23000e-01
|
|---|
| 454 | 0.61374e+03 0.88815e-01
|
|---|
| 455 | 0.19972e+03 0.25258e+00
|
|---|
| 456 | 0.71564e+02 0.43921e+00
|
|---|
| 457 | 0.26979e+02 0.31868e+00
|
|---|
| 458 | 0.68260e+01 0.34348e-01
|
|---|
| 459 | })
|
|---|
| 460 | (type: [am=s]
|
|---|
| 461 | {exp coef:0} = {
|
|---|
| 462 | 0.95213e+04 -0.19824e-04
|
|---|
| 463 | 0.21674e+04 -0.47199e-04
|
|---|
| 464 | 0.61374e+03 -0.17713e-02
|
|---|
| 465 | 0.19972e+03 -0.98068e-02
|
|---|
| 466 | 0.71564e+02 -0.66719e-01
|
|---|
| 467 | 0.26979e+02 -0.88711e-01
|
|---|
| 468 | 0.68260e+01 0.49396e+00
|
|---|
| 469 | 0.25767e+01 0.65392e+00
|
|---|
| 470 | })
|
|---|
| 471 | (type: [am=s]
|
|---|
| 472 | {exp coef:0} = {
|
|---|
| 473 | 0.21674e+04 0.90584e-05
|
|---|
| 474 | 0.61374e+03 0.10695e-03
|
|---|
| 475 | 0.19972e+03 0.10981e-02
|
|---|
| 476 | 0.71564e+02 0.59898e-02
|
|---|
| 477 | 0.26979e+02 0.12762e-01
|
|---|
| 478 | 0.68260e+01 -0.10307e+00
|
|---|
| 479 | 0.25767e+01 -0.25941e+00
|
|---|
| 480 | 0.55752e+00 0.64899e+00
|
|---|
| 481 | })
|
|---|
| 482 | (type: [am=s]
|
|---|
| 483 | {exp coef:0} = {
|
|---|
| 484 | 0.19825e+00 0.10000e+01
|
|---|
| 485 | })
|
|---|
| 486 | (type: [am=p]
|
|---|
| 487 | {exp coef:0} = {
|
|---|
| 488 | 0.41312e+03 0.54251e-02
|
|---|
| 489 | 0.97054e+02 0.41644e-01
|
|---|
| 490 | 0.30482e+02 0.16990e+00
|
|---|
| 491 | 0.10962e+02 0.39275e+00
|
|---|
| 492 | 0.41276e+01 0.45045e+00
|
|---|
| 493 | 0.15338e+01 0.15308e+00
|
|---|
| 494 | })
|
|---|
| 495 | (type: [am=p]
|
|---|
| 496 | {exp coef:0} = {
|
|---|
| 497 | 0.30482e+02 -0.21441e-02
|
|---|
| 498 | 0.10962e+02 -0.91298e-02
|
|---|
| 499 | 0.41276e+01 -0.19906e-01
|
|---|
| 500 | 0.15338e+01 0.15582e+00
|
|---|
| 501 | 0.51439e+00 0.58772e+00
|
|---|
| 502 | })
|
|---|
| 503 | (type: [am=p]
|
|---|
| 504 | {exp coef:0} = {
|
|---|
| 505 | 0.15026e+00 0.10000e+01
|
|---|
| 506 | })
|
|---|
| 507 | (type: [(am=d puream=1)]
|
|---|
| 508 | {exp coef:0} = {
|
|---|
| 509 | 0.60000e+00 0.10000e+01
|
|---|
| 510 | })
|
|---|
| 511 | (type: [am=s]
|
|---|
| 512 | {exp coef:0} = {
|
|---|
| 513 | 0.65816e-01 0.10000e+01
|
|---|
| 514 | })
|
|---|
| 515 | (type: [am=p]
|
|---|
| 516 | {exp coef:0} = {
|
|---|
| 517 | 0.41467e-01 0.10000e+01
|
|---|
| 518 | })
|
|---|
| 519 | (type: [(am=d puream=1)]
|
|---|
| 520 | {exp coef:0} = {
|
|---|
| 521 | 0.12440e+00 0.10000e+01
|
|---|
| 522 | })
|
|---|
| 523 | ]
|
|---|
| 524 | )
|
|---|
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