Action_Thermostats
        Add_AtomRandomPerturbation
        Add_RotateAroundBondAction
        Add_SelectAtomByNameAction
        Adding_Graph_to_ChangeBondActions
        Adding_MD_integration_tests
        Adding_StructOpt_integration_tests
        AutomationFragmentation_failures
        Candidate_v1.6.0
        Candidate_v1.6.1
        Candidate_v1.7.0
        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
        PartialCharges_OrthogonalSummation
        PythonUI_with_named_parameters
        QtGui_reactivate_TimeChanged_changes
        Recreated_GuiChecks
        RotateToPrincipalAxisSystem_UndoRedo
        StoppableMakroAction
        TremoloParser_IncreasedPrecision
        TremoloParser_MultipleTimesteps
        Ubuntu_1604_changes
        stable
      
      
      
| Rev | Line |   | 
|---|
| [0b990d] | 1 | basis: (
 | 
|---|
 | 2 |  hydrogen: "pc-3-aug": [
 | 
|---|
 | 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 |   (type: [am=s]
 | 
|---|
 | 56 |    {exp coef:0} = {
 | 
|---|
 | 57 |    0.18800e-01 0.10000e+01
 | 
|---|
 | 58 |   })
 | 
|---|
 | 59 |   (type: [am=p]
 | 
|---|
 | 60 |    {exp coef:0} = {
 | 
|---|
 | 61 |    0.56399e-01 0.10000e+01
 | 
|---|
 | 62 |   })
 | 
|---|
 | 63 |   (type: [(am=d puream=1)]
 | 
|---|
 | 64 |    {exp coef:0} = {
 | 
|---|
 | 65 |    0.75199e-01 0.10000e+01
 | 
|---|
 | 66 |   })
 | 
|---|
 | 67 |   (type: [(am=f puream=1)]
 | 
|---|
 | 68 |    {exp coef:0} = {
 | 
|---|
 | 69 |    0.93999e-01 0.10000e+01
 | 
|---|
 | 70 |   })
 | 
|---|
 | 71 |  ]
 | 
|---|
 | 72 |  carbon: "pc-3-aug": [
 | 
|---|
 | 73 |   (type: [am=s]
 | 
|---|
 | 74 |    {exp coef:0} = {
 | 
|---|
 | 75 |    0.87141e+05 0.28180e-04
 | 
|---|
 | 76 |    0.13052e+05 0.21825e-03
 | 
|---|
 | 77 |    0.29706e+04 0.11508e-02
 | 
|---|
 | 78 |    0.84146e+03 0.47884e-02
 | 
|---|
 | 79 |    0.27459e+03 0.17126e-01
 | 
|---|
 | 80 |    0.99215e+02 0.51160e-01
 | 
|---|
 | 81 |    0.38694e+02 0.12794e+00
 | 
|---|
 | 82 |    0.15911e+02 0.22811e+00
 | 
|---|
 | 83 |    0.67668e+01 0.24690e+00
 | 
|---|
 | 84 |   })
 | 
|---|
 | 85 |   (type: [am=s]
 | 
|---|
 | 86 |    {exp coef:0} = {
 | 
|---|
 | 87 |    0.84146e+03 0.11375e-03
 | 
|---|
 | 88 |    0.27459e+03 0.27554e-03
 | 
|---|
 | 89 |    0.99215e+02 0.50008e-02
 | 
|---|
 | 90 |    0.38694e+02 0.22297e-01
 | 
|---|
 | 91 |    0.15911e+02 0.14027e+00
 | 
|---|
 | 92 |    0.67668e+01 0.41571e+00
 | 
|---|
 | 93 |    0.28984e+01 0.82977e+00
 | 
|---|
 | 94 |   })
 | 
|---|
 | 95 |   (type: [am=s]
 | 
|---|
 | 96 |    {exp coef:0} = {
 | 
|---|
 | 97 |    0.11246e+01 0.10000e+01
 | 
|---|
 | 98 |   })
 | 
|---|
 | 99 |   (type: [am=s]
 | 
|---|
 | 100 |    {exp coef:0} = {
 | 
|---|
 | 101 |    0.51446e+00 0.10000e+01
 | 
|---|
 | 102 |   })
 | 
|---|
 | 103 |   (type: [am=s]
 | 
|---|
 | 104 |    {exp coef:0} = {
 | 
|---|
 | 105 |    0.21176e+00 0.10000e+01
 | 
|---|
 | 106 |   })
 | 
|---|
 | 107 |   (type: [am=s]
 | 
|---|
 | 108 |    {exp coef:0} = {
 | 
|---|
 | 109 |    0.85017e-01 0.10000e+01
 | 
|---|
 | 110 |   })
 | 
|---|
 | 111 |   (type: [am=p]
 | 
|---|
 | 112 |    {exp coef:0} = {
 | 
|---|
 | 113 |    0.14824e+03 0.50719e-03
 | 
|---|
 | 114 |    0.34912e+02 0.41794e-02
 | 
|---|
 | 115 |    0.10894e+02 0.21293e-01
 | 
|---|
 | 116 |    0.41934e+01 0.62269e-01
 | 
|---|
 | 117 |    0.17134e+01 0.16415e+00
 | 
|---|
 | 118 |   })
 | 
|---|
 | 119 |   (type: [am=p]
 | 
|---|
 | 120 |    {exp coef:0} = {
 | 
|---|
 | 121 |    0.73566e+00 0.10000e+01
 | 
|---|
 | 122 |   })
 | 
|---|
 | 123 |   (type: [am=p]
 | 
|---|
 | 124 |    {exp coef:0} = {
 | 
|---|
 | 125 |    0.31637e+00 0.10000e+01
 | 
|---|
 | 126 |   })
 | 
|---|
 | 127 |   (type: [am=p]
 | 
|---|
 | 128 |    {exp coef:0} = {
 | 
|---|
 | 129 |    0.13242e+00 0.10000e+01
 | 
|---|
 | 130 |   })
 | 
|---|
 | 131 |   (type: [am=p]
 | 
|---|
 | 132 |    {exp coef:0} = {
 | 
|---|
 | 133 |    0.51901e-01 0.10000e+01
 | 
|---|
 | 134 |   })
 | 
|---|
 | 135 |   (type: [(am=d puream=1)]
 | 
|---|
 | 136 |    {exp coef:0} = {
 | 
|---|
 | 137 |    0.52000e+01 0.10000e+01
 | 
|---|
 | 138 |   })
 | 
|---|
 | 139 |   (type: [(am=d puream=1)]
 | 
|---|
 | 140 |    {exp coef:0} = {
 | 
|---|
 | 141 |    0.13500e+01 0.10000e+01
 | 
|---|
 | 142 |   })
 | 
|---|
 | 143 |   (type: [(am=d puream=1)]
 | 
|---|
 | 144 |    {exp coef:0} = {
 | 
|---|
 | 145 |    0.52000e+00 0.10000e+01
 | 
|---|
 | 146 |   })
 | 
|---|
 | 147 |   (type: [(am=d puream=1)]
 | 
|---|
 | 148 |    {exp coef:0} = {
 | 
|---|
 | 149 |    0.20000e+00 0.10000e+01
 | 
|---|
 | 150 |   })
 | 
|---|
 | 151 |   (type: [(am=f puream=1)]
 | 
|---|
 | 152 |    {exp coef:0} = {
 | 
|---|
 | 153 |    0.15000e+01 0.10000e+01
 | 
|---|
 | 154 |   })
 | 
|---|
 | 155 |   (type: [(am=f puream=1)]
 | 
|---|
 | 156 |    {exp coef:0} = {
 | 
|---|
 | 157 |    0.65000e+00 0.10000e+01
 | 
|---|
 | 158 |   })
 | 
|---|
 | 159 |   (type: [(am=g puream=1)]
 | 
|---|
 | 160 |    {exp coef:0} = {
 | 
|---|
 | 161 |    0.14000e+01 0.10000e+01
 | 
|---|
 | 162 |   })
 | 
|---|
 | 163 |   (type: [am=s]
 | 
|---|
 | 164 |    {exp coef:0} = {
 | 
|---|
 | 165 |    0.31605e-01 0.10000e+01
 | 
|---|
 | 166 |   })
 | 
|---|
 | 167 |   (type: [am=p]
 | 
|---|
 | 168 |    {exp coef:0} = {
 | 
|---|
 | 169 |    0.18873e-01 0.10000e+01
 | 
|---|
 | 170 |   })
 | 
|---|
 | 171 |   (type: [(am=d puream=1)]
 | 
|---|
 | 172 |    {exp coef:0} = {
 | 
|---|
 | 173 |    0.56619e-01 0.10000e+01
 | 
|---|
 | 174 |   })
 | 
|---|
 | 175 |   (type: [(am=f puream=1)]
 | 
|---|
 | 176 |    {exp coef:0} = {
 | 
|---|
 | 177 |    0.75492e-01 0.10000e+01
 | 
|---|
 | 178 |   })
 | 
|---|
 | 179 |   (type: [(am=g puream=1)]
 | 
|---|
 | 180 |    {exp coef:0} = {
 | 
|---|
 | 181 |    0.94365e-01 0.10000e+01
 | 
|---|
 | 182 |   })
 | 
|---|
 | 183 |  ]
 | 
|---|
 | 184 |  nitrogen: "pc-3-aug": [
 | 
|---|
 | 185 |   (type: [am=s]
 | 
|---|
 | 186 |    {exp coef:0} = {
 | 
|---|
 | 187 |    0.12455e+06 0.26672e-04
 | 
|---|
 | 188 |    0.18656e+05 0.20684e-03
 | 
|---|
 | 189 |    0.42451e+04 0.10893e-02
 | 
|---|
 | 190 |    0.12021e+04 0.45463e-02
 | 
|---|
 | 191 |    0.39214e+03 0.16237e-01
 | 
|---|
 | 192 |    0.14158e+03 0.48957e-01
 | 
|---|
 | 193 |    0.55136e+02 0.12317e+00
 | 
|---|
 | 194 |    0.22643e+02 0.22425e+00
 | 
|---|
 | 195 |    0.96566e+01 0.23876e+00
 | 
|---|
 | 196 |   })
 | 
|---|
 | 197 |   (type: [am=s]
 | 
|---|
 | 198 |    {exp coef:0} = {
 | 
|---|
 | 199 |    0.12021e+04 0.81439e-04
 | 
|---|
 | 200 |    0.39214e+03 0.32439e-03
 | 
|---|
 | 201 |    0.14158e+03 0.43621e-02
 | 
|---|
 | 202 |    0.55136e+02 0.22838e-01
 | 
|---|
 | 203 |    0.22643e+02 0.13462e+00
 | 
|---|
 | 204 |    0.96566e+01 0.42501e+00
 | 
|---|
 | 205 |    0.41685e+01 0.82517e+00
 | 
|---|
 | 206 |   })
 | 
|---|
 | 207 |   (type: [am=s]
 | 
|---|
 | 208 |    {exp coef:0} = {
 | 
|---|
 | 209 |    0.16678e+01 0.10000e+01
 | 
|---|
 | 210 |   })
 | 
|---|
 | 211 |   (type: [am=s]
 | 
|---|
 | 212 |    {exp coef:0} = {
 | 
|---|
 | 213 |    0.74574e+00 0.10000e+01
 | 
|---|
 | 214 |   })
 | 
|---|
 | 215 |   (type: [am=s]
 | 
|---|
 | 216 |    {exp coef:0} = {
 | 
|---|
 | 217 |    0.30516e+00 0.10000e+01
 | 
|---|
 | 218 |   })
 | 
|---|
 | 219 |   (type: [am=s]
 | 
|---|
 | 220 |    {exp coef:0} = {
 | 
|---|
 | 221 |    0.12089e+00 0.10000e+01
 | 
|---|
 | 222 |   })
 | 
|---|
 | 223 |   (type: [am=p]
 | 
|---|
 | 224 |    {exp coef:0} = {
 | 
|---|
 | 225 |    0.21829e+03 0.48281e-03
 | 
|---|
 | 226 |    0.51488e+02 0.40420e-02
 | 
|---|
 | 227 |    0.16130e+02 0.20946e-01
 | 
|---|
 | 228 |    0.61307e+01 0.64757e-01
 | 
|---|
 | 229 |    0.25052e+01 0.17042e+00
 | 
|---|
 | 230 |   })
 | 
|---|
 | 231 |   (type: [am=p]
 | 
|---|
 | 232 |    {exp coef:0} = {
 | 
|---|
 | 233 |    0.10730e+01 0.10000e+01
 | 
|---|
 | 234 |   })
 | 
|---|
 | 235 |   (type: [am=p]
 | 
|---|
 | 236 |    {exp coef:0} = {
 | 
|---|
 | 237 |    0.45838e+00 0.10000e+01
 | 
|---|
 | 238 |   })
 | 
|---|
 | 239 |   (type: [am=p]
 | 
|---|
 | 240 |    {exp coef:0} = {
 | 
|---|
 | 241 |    0.18948e+00 0.10000e+01
 | 
|---|
 | 242 |   })
 | 
|---|
 | 243 |   (type: [am=p]
 | 
|---|
 | 244 |    {exp coef:0} = {
 | 
|---|
 | 245 |    0.73359e-01 0.10000e+01
 | 
|---|
 | 246 |   })
 | 
|---|
 | 247 |   (type: [(am=d puream=1)]
 | 
|---|
 | 248 |    {exp coef:0} = {
 | 
|---|
 | 249 |    0.60000e+01 0.10000e+01
 | 
|---|
 | 250 |   })
 | 
|---|
 | 251 |   (type: [(am=d puream=1)]
 | 
|---|
 | 252 |    {exp coef:0} = {
 | 
|---|
 | 253 |    0.16500e+01 0.10000e+01
 | 
|---|
 | 254 |   })
 | 
|---|
 | 255 |   (type: [(am=d puream=1)]
 | 
|---|
 | 256 |    {exp coef:0} = {
 | 
|---|
 | 257 |    0.65000e+00 0.10000e+01
 | 
|---|
 | 258 |   })
 | 
|---|
 | 259 |   (type: [(am=d puream=1)]
 | 
|---|
 | 260 |    {exp coef:0} = {
 | 
|---|
 | 261 |    0.25000e+00 0.10000e+01
 | 
|---|
 | 262 |   })
 | 
|---|
 | 263 |   (type: [(am=f puream=1)]
 | 
|---|
 | 264 |    {exp coef:0} = {
 | 
|---|
 | 265 |    0.18000e+01 0.10000e+01
 | 
|---|
 | 266 |   })
 | 
|---|
 | 267 |   (type: [(am=f puream=1)]
 | 
|---|
 | 268 |    {exp coef:0} = {
 | 
|---|
 | 269 |    0.77000e+00 0.10000e+01
 | 
|---|
 | 270 |   })
 | 
|---|
 | 271 |   (type: [(am=g puream=1)]
 | 
|---|
 | 272 |    {exp coef:0} = {
 | 
|---|
 | 273 |    0.15000e+01 0.10000e+01
 | 
|---|
 | 274 |   })
 | 
|---|
 | 275 |   (type: [am=s]
 | 
|---|
 | 276 |    {exp coef:0} = {
 | 
|---|
 | 277 |    0.44444e-01 0.10000e+01
 | 
|---|
 | 278 |   })
 | 
|---|
 | 279 |   (type: [am=p]
 | 
|---|
 | 280 |    {exp coef:0} = {
 | 
|---|
 | 281 |    0.26388e-01 0.10000e+01
 | 
|---|
 | 282 |   })
 | 
|---|
 | 283 |   (type: [(am=d puream=1)]
 | 
|---|
 | 284 |    {exp coef:0} = {
 | 
|---|
 | 285 |    0.79164e-01 0.10000e+01
 | 
|---|
 | 286 |   })
 | 
|---|
 | 287 |   (type: [(am=f puream=1)]
 | 
|---|
 | 288 |    {exp coef:0} = {
 | 
|---|
 | 289 |    0.10555e+00 0.10000e+01
 | 
|---|
 | 290 |   })
 | 
|---|
 | 291 |   (type: [(am=g puream=1)]
 | 
|---|
 | 292 |    {exp coef:0} = {
 | 
|---|
 | 293 |    0.13194e+00 0.10000e+01
 | 
|---|
 | 294 |   })
 | 
|---|
 | 295 |  ]
 | 
|---|
 | 296 |  oxygen: "pc-3-aug": [
 | 
|---|
 | 297 |   (type: [am=s]
 | 
|---|
 | 298 |    {exp coef:0} = {
 | 
|---|
 | 299 |    0.16403e+06 0.26520e-04
 | 
|---|
 | 300 |    0.24567e+05 0.20574e-03
 | 
|---|
 | 301 |    0.55910e+04 0.10826e-02
 | 
|---|
 | 302 |    0.15836e+04 0.45202e-02
 | 
|---|
 | 303 |    0.51667e+03 0.16132e-01
 | 
|---|
 | 304 |    0.18656e+03 0.48733e-01
 | 
|---|
 | 305 |    0.72696e+02 0.12262e+00
 | 
|---|
 | 306 |    0.29992e+02 0.22209e+00
 | 
|---|
 | 307 |    0.12899e+02 0.23890e+00
 | 
|---|
 | 308 |   })
 | 
|---|
 | 309 |   (type: [am=s]
 | 
|---|
 | 310 |    {exp coef:0} = {
 | 
|---|
 | 311 |    0.15836e+04 0.75682e-04
 | 
|---|
 | 312 |    0.51667e+03 0.35568e-03
 | 
|---|
 | 313 |    0.18656e+03 0.43918e-02
 | 
|---|
 | 314 |    0.72696e+02 0.23820e-01
 | 
|---|
 | 315 |    0.29992e+02 0.13830e+00
 | 
|---|
 | 316 |    0.12899e+02 0.43028e+00
 | 
|---|
 | 317 |    0.56135e+01 0.85179e+00
 | 
|---|
 | 318 |   })
 | 
|---|
 | 319 |   (type: [am=s]
 | 
|---|
 | 320 |    {exp coef:0} = {
 | 
|---|
 | 321 |    0.22986e+01 0.10000e+01
 | 
|---|
 | 322 |   })
 | 
|---|
 | 323 |   (type: [am=s]
 | 
|---|
 | 324 |    {exp coef:0} = {
 | 
|---|
 | 325 |    0.99980e+00 0.10000e+01
 | 
|---|
 | 326 |   })
 | 
|---|
 | 327 |   (type: [am=s]
 | 
|---|
 | 328 |    {exp coef:0} = {
 | 
|---|
 | 329 |    0.40746e+00 0.10000e+01
 | 
|---|
 | 330 |   })
 | 
|---|
 | 331 |   (type: [am=s]
 | 
|---|
 | 332 |    {exp coef:0} = {
 | 
|---|
 | 333 |    0.15922e+00 0.10000e+01
 | 
|---|
 | 334 |   })
 | 
|---|
 | 335 |   (type: [am=p]
 | 
|---|
 | 336 |    {exp coef:0} = {
 | 
|---|
 | 337 |    0.27202e+03 0.54881e-03
 | 
|---|
 | 338 |    0.64243e+02 0.45733e-02
 | 
|---|
 | 339 |    0.20249e+02 0.23534e-01
 | 
|---|
 | 340 |    0.76438e+01 0.74362e-01
 | 
|---|
 | 341 |    0.31232e+01 0.18659e+00
 | 
|---|
 | 342 |   })
 | 
|---|
 | 343 |   (type: [am=p]
 | 
|---|
 | 344 |    {exp coef:0} = {
 | 
|---|
 | 345 |    0.13251e+01 0.10000e+01
 | 
|---|
 | 346 |   })
 | 
|---|
 | 347 |   (type: [am=p]
 | 
|---|
 | 348 |    {exp coef:0} = {
 | 
|---|
 | 349 |    0.55551e+00 0.10000e+01
 | 
|---|
 | 350 |   })
 | 
|---|
 | 351 |   (type: [am=p]
 | 
|---|
 | 352 |    {exp coef:0} = {
 | 
|---|
 | 353 |    0.22229e+00 0.10000e+01
 | 
|---|
 | 354 |   })
 | 
|---|
 | 355 |   (type: [am=p]
 | 
|---|
 | 356 |    {exp coef:0} = {
 | 
|---|
 | 357 |    0.84010e-01 0.10000e+01
 | 
|---|
 | 358 |   })
 | 
|---|
 | 359 |   (type: [(am=d puream=1)]
 | 
|---|
 | 360 |    {exp coef:0} = {
 | 
|---|
 | 361 |    0.70000e+01 0.10000e+01
 | 
|---|
 | 362 |   })
 | 
|---|
 | 363 |   (type: [(am=d puream=1)]
 | 
|---|
 | 364 |    {exp coef:0} = {
 | 
|---|
 | 365 |    0.20000e+01 0.10000e+01
 | 
|---|
 | 366 |   })
 | 
|---|
 | 367 |   (type: [(am=d puream=1)]
 | 
|---|
 | 368 |    {exp coef:0} = {
 | 
|---|
 | 369 |    0.80000e+00 0.10000e+01
 | 
|---|
 | 370 |   })
 | 
|---|
 | 371 |   (type: [(am=d puream=1)]
 | 
|---|
 | 372 |    {exp coef:0} = {
 | 
|---|
 | 373 |    0.30000e+00 0.10000e+01
 | 
|---|
 | 374 |   })
 | 
|---|
 | 375 |   (type: [(am=f puream=1)]
 | 
|---|
 | 376 |    {exp coef:0} = {
 | 
|---|
 | 377 |    0.21000e+01 0.10000e+01
 | 
|---|
 | 378 |   })
 | 
|---|
 | 379 |   (type: [(am=f puream=1)]
 | 
|---|
 | 380 |    {exp coef:0} = {
 | 
|---|
 | 381 |    0.90000e+00 0.10000e+01
 | 
|---|
 | 382 |   })
 | 
|---|
 | 383 |   (type: [(am=g puream=1)]
 | 
|---|
 | 384 |    {exp coef:0} = {
 | 
|---|
 | 385 |    0.16000e+01 0.10000e+01
 | 
|---|
 | 386 |   })
 | 
|---|
 | 387 |   (type: [am=s]
 | 
|---|
 | 388 |    {exp coef:0} = {
 | 
|---|
 | 389 |    0.57690e-01 0.10000e+01
 | 
|---|
 | 390 |   })
 | 
|---|
 | 391 |   (type: [am=p]
 | 
|---|
 | 392 |    {exp coef:0} = {
 | 
|---|
 | 393 |    0.29477e-01 0.10000e+01
 | 
|---|
 | 394 |   })
 | 
|---|
 | 395 |   (type: [(am=d puream=1)]
 | 
|---|
 | 396 |    {exp coef:0} = {
 | 
|---|
 | 397 |    0.88431e-01 0.10000e+01
 | 
|---|
 | 398 |   })
 | 
|---|
 | 399 |   (type: [(am=f puream=1)]
 | 
|---|
 | 400 |    {exp coef:0} = {
 | 
|---|
 | 401 |    0.11791e+00 0.10000e+01
 | 
|---|
 | 402 |   })
 | 
|---|
 | 403 |   (type: [(am=g puream=1)]
 | 
|---|
 | 404 |    {exp coef:0} = {
 | 
|---|
 | 405 |    0.14739e+00 0.10000e+01
 | 
|---|
 | 406 |   })
 | 
|---|
 | 407 |  ]
 | 
|---|
 | 408 |  fluorine: "pc-3-aug": [
 | 
|---|
 | 409 |   (type: [am=s]
 | 
|---|
 | 410 |    {exp coef:0} = {
 | 
|---|
 | 411 |    0.21566e+06 0.25377e-04
 | 
|---|
 | 412 |    0.32299e+05 0.19695e-03
 | 
|---|
 | 413 |    0.73504e+04 0.10359e-02
 | 
|---|
 | 414 |    0.20818e+04 0.43300e-02
 | 
|---|
 | 415 |    0.67909e+03 0.15459e-01
 | 
|---|
 | 416 |    0.24510e+03 0.46915e-01
 | 
|---|
 | 417 |    0.95462e+02 0.11877e+00
 | 
|---|
 | 418 |    0.39422e+02 0.21727e+00
 | 
|---|
 | 419 |    0.17018e+02 0.23687e+00
 | 
|---|
 | 420 |   })
 | 
|---|
 | 421 |   (type: [am=s]
 | 
|---|
 | 422 |    {exp coef:0} = {
 | 
|---|
 | 423 |    0.20818e+04 0.65619e-04
 | 
|---|
 | 424 |    0.67909e+03 0.35364e-03
 | 
|---|
 | 425 |    0.24510e+03 0.41021e-02
 | 
|---|
 | 426 |    0.95462e+02 0.23212e-01
 | 
|---|
 | 427 |    0.39422e+02 0.13371e+00
 | 
|---|
 | 428 |    0.17018e+02 0.42345e+00
 | 
|---|
 | 429 |    0.74525e+01 0.86202e+00
 | 
|---|
 | 430 |   })
 | 
|---|
 | 431 |   (type: [am=s]
 | 
|---|
 | 432 |    {exp coef:0} = {
 | 
|---|
 | 433 |    0.31329e+01 0.10000e+01
 | 
|---|
 | 434 |   })
 | 
|---|
 | 435 |   (type: [am=s]
 | 
|---|
 | 436 |    {exp coef:0} = {
 | 
|---|
 | 437 |    0.13395e+01 0.10000e+01
 | 
|---|
 | 438 |   })
 | 
|---|
 | 439 |   (type: [am=s]
 | 
|---|
 | 440 |    {exp coef:0} = {
 | 
|---|
 | 441 |    0.54218e+00 0.10000e+01
 | 
|---|
 | 442 |   })
 | 
|---|
 | 443 |   (type: [am=s]
 | 
|---|
 | 444 |    {exp coef:0} = {
 | 
|---|
 | 445 |    0.20904e+00 0.10000e+01
 | 
|---|
 | 446 |   })
 | 
|---|
 | 447 |   (type: [am=p]
 | 
|---|
 | 448 |    {exp coef:0} = {
 | 
|---|
 | 449 |    0.35122e+03 0.55257e-03
 | 
|---|
 | 450 |    0.82978e+02 0.46211e-02
 | 
|---|
 | 451 |    0.26267e+02 0.23794e-01
 | 
|---|
 | 452 |    0.99307e+01 0.76241e-01
 | 
|---|
 | 453 |    0.40670e+01 0.18912e+00
 | 
|---|
 | 454 |   })
 | 
|---|
 | 455 |   (type: [am=p]
 | 
|---|
 | 456 |    {exp coef:0} = {
 | 
|---|
 | 457 |    0.17246e+01 0.10000e+01
 | 
|---|
 | 458 |   })
 | 
|---|
 | 459 |   (type: [am=p]
 | 
|---|
 | 460 |    {exp coef:0} = {
 | 
|---|
 | 461 |    0.71976e+00 0.10000e+01
 | 
|---|
 | 462 |   })
 | 
|---|
 | 463 |   (type: [am=p]
 | 
|---|
 | 464 |    {exp coef:0} = {
 | 
|---|
 | 465 |    0.28624e+00 0.10000e+01
 | 
|---|
 | 466 |   })
 | 
|---|
 | 467 |   (type: [am=p]
 | 
|---|
 | 468 |    {exp coef:0} = {
 | 
|---|
 | 469 |    0.10789e+00 0.10000e+01
 | 
|---|
 | 470 |   })
 | 
|---|
 | 471 |   (type: [(am=d puream=1)]
 | 
|---|
 | 472 |    {exp coef:0} = {
 | 
|---|
 | 473 |    0.84000e+01 0.10000e+01
 | 
|---|
 | 474 |   })
 | 
|---|
 | 475 |   (type: [(am=d puream=1)]
 | 
|---|
 | 476 |    {exp coef:0} = {
 | 
|---|
 | 477 |    0.26000e+01 0.10000e+01
 | 
|---|
 | 478 |   })
 | 
|---|
 | 479 |   (type: [(am=d puream=1)]
 | 
|---|
 | 480 |    {exp coef:0} = {
 | 
|---|
 | 481 |    0.10000e+01 0.10000e+01
 | 
|---|
 | 482 |   })
 | 
|---|
 | 483 |   (type: [(am=d puream=1)]
 | 
|---|
 | 484 |    {exp coef:0} = {
 | 
|---|
 | 485 |    0.35000e+00 0.10000e+01
 | 
|---|
 | 486 |   })
 | 
|---|
 | 487 |   (type: [(am=f puream=1)]
 | 
|---|
 | 488 |    {exp coef:0} = {
 | 
|---|
 | 489 |    0.26000e+01 0.10000e+01
 | 
|---|
 | 490 |   })
 | 
|---|
 | 491 |   (type: [(am=f puream=1)]
 | 
|---|
 | 492 |    {exp coef:0} = {
 | 
|---|
 | 493 |    0.10500e+01 0.10000e+01
 | 
|---|
 | 494 |   })
 | 
|---|
 | 495 |   (type: [(am=g puream=1)]
 | 
|---|
 | 496 |    {exp coef:0} = {
 | 
|---|
 | 497 |    0.17000e+01 0.10000e+01
 | 
|---|
 | 498 |   })
 | 
|---|
 | 499 |   (type: [am=s]
 | 
|---|
 | 500 |    {exp coef:0} = {
 | 
|---|
 | 501 |    0.74924e-01 0.10000e+01
 | 
|---|
 | 502 |   })
 | 
|---|
 | 503 |   (type: [am=p]
 | 
|---|
 | 504 |    {exp coef:0} = {
 | 
|---|
 | 505 |    0.37856e-01 0.10000e+01
 | 
|---|
 | 506 |   })
 | 
|---|
 | 507 |   (type: [(am=d puream=1)]
 | 
|---|
 | 508 |    {exp coef:0} = {
 | 
|---|
 | 509 |    0.11357e+00 0.10000e+01
 | 
|---|
 | 510 |   })
 | 
|---|
 | 511 |   (type: [(am=f puream=1)]
 | 
|---|
 | 512 |    {exp coef:0} = {
 | 
|---|
 | 513 |    0.15142e+00 0.10000e+01
 | 
|---|
 | 514 |   })
 | 
|---|
 | 515 |   (type: [(am=g puream=1)]
 | 
|---|
 | 516 |    {exp coef:0} = {
 | 
|---|
 | 517 |    0.18928e+00 0.10000e+01
 | 
|---|
 | 518 |   })
 | 
|---|
 | 519 |  ]
 | 
|---|
 | 520 |  silicon: "pc-3-aug": [
 | 
|---|
 | 521 |   (type: [am=s]
 | 
|---|
 | 522 |    {exp coef:0} = {
 | 
|---|
 | 523 |    0.91848e+06 0.12650e-04
 | 
|---|
 | 524 |    0.13759e+06 0.98336e-04
 | 
|---|
 | 525 |    0.31289e+05 0.51783e-03
 | 
|---|
 | 526 |    0.88507e+04 0.21853e-02
 | 
|---|
 | 527 |    0.28819e+04 0.79183e-02
 | 
|---|
 | 528 |    0.10381e+04 0.25222e-01
 | 
|---|
 | 529 |    0.40397e+03 0.70531e-01
 | 
|---|
 | 530 |    0.16697e+03 0.16612e+00
 | 
|---|
 | 531 |    0.72202e+02 0.30560e+00
 | 
|---|
 | 532 |    0.32334e+02 0.35748e+00
 | 
|---|
 | 533 |    0.14771e+02 0.19583e+00
 | 
|---|
 | 534 |    0.59240e+01 0.23686e-01
 | 
|---|
 | 535 |   })
 | 
|---|
 | 536 |   (type: [am=s]
 | 
|---|
 | 537 |    {exp coef:0} = {
 | 
|---|
 | 538 |    0.88507e+04 -0.40074e-05
 | 
|---|
 | 539 |    0.28819e+04 -0.55577e-05
 | 
|---|
 | 540 |    0.10381e+04 -0.15833e-03
 | 
|---|
 | 541 |    0.40397e+03 -0.68701e-03
 | 
|---|
 | 542 |    0.16697e+03 -0.51741e-02
 | 
|---|
 | 543 |    0.72202e+02 -0.19323e-01
 | 
|---|
 | 544 |    0.32334e+02 -0.60309e-01
 | 
|---|
 | 545 |    0.14771e+02 -0.51880e-01
 | 
|---|
 | 546 |    0.59240e+01 0.17152e+00
 | 
|---|
 | 547 |    0.26285e+01 0.30338e+00
 | 
|---|
 | 548 |   })
 | 
|---|
 | 549 |   (type: [am=s]
 | 
|---|
 | 550 |    {exp coef:0} = {
 | 
|---|
 | 551 |    0.10381e+04 0.93287e-05
 | 
|---|
 | 552 |    0.40397e+03 0.67519e-04
 | 
|---|
 | 553 |    0.16697e+03 0.40170e-03
 | 
|---|
 | 554 |    0.72202e+02 0.18138e-02
 | 
|---|
 | 555 |    0.32334e+02 0.55784e-02
 | 
|---|
 | 556 |    0.14771e+02 0.69224e-02
 | 
|---|
 | 557 |    0.59240e+01 -0.26192e-01
 | 
|---|
 | 558 |    0.26285e+01 -0.12508e+00
 | 
|---|
 | 559 |    0.11360e+01 -0.17545e+00
 | 
|---|
 | 560 |   })
 | 
|---|
 | 561 |   (type: [am=s]
 | 
|---|
 | 562 |    {exp coef:0} = {
 | 
|---|
 | 563 |    0.35611e+00 0.10000e+01
 | 
|---|
 | 564 |   })
 | 
|---|
 | 565 |   (type: [am=s]
 | 
|---|
 | 566 |    {exp coef:0} = {
 | 
|---|
 | 567 |    0.16384e+00 0.10000e+01
 | 
|---|
 | 568 |   })
 | 
|---|
 | 569 |   (type: [am=s]
 | 
|---|
 | 570 |    {exp coef:0} = {
 | 
|---|
 | 571 |    0.68062e-01 0.10000e+01
 | 
|---|
 | 572 |   })
 | 
|---|
 | 573 |   (type: [am=p]
 | 
|---|
 | 574 |    {exp coef:0} = {
 | 
|---|
 | 575 |    0.25529e+04 0.10925e-03
 | 
|---|
 | 576 |    0.60606e+03 0.95808e-03
 | 
|---|
 | 577 |    0.19555e+03 0.54477e-02
 | 
|---|
 | 578 |    0.72844e+02 0.23607e-01
 | 
|---|
 | 579 |    0.30401e+02 0.72280e-01
 | 
|---|
 | 580 |    0.13565e+02 0.17561e+00
 | 
|---|
 | 581 |    0.62479e+01 0.30405e+00
 | 
|---|
 | 582 |    0.28977e+01 0.35739e+00
 | 
|---|
 | 583 |    0.13321e+01 0.23612e+00
 | 
|---|
 | 584 |   })
 | 
|---|
 | 585 |   (type: [am=p]
 | 
|---|
 | 586 |    {exp coef:0} = {
 | 
|---|
 | 587 |    0.60606e+03 0.62893e-05
 | 
|---|
 | 588 |    0.19555e+03 -0.38321e-05
 | 
|---|
 | 589 |    0.72844e+02 0.10549e-03
 | 
|---|
 | 590 |    0.30401e+02 -0.41779e-03
 | 
|---|
 | 591 |    0.13565e+02 -0.51137e-03
 | 
|---|
 | 592 |    0.62479e+01 -0.70295e-02
 | 
|---|
 | 593 |    0.28977e+01 -0.43975e-02
 | 
|---|
 | 594 |    0.13321e+01 0.51784e-02
 | 
|---|
 | 595 |    0.58716e+00 0.13923e+00
 | 
|---|
 | 596 |   })
 | 
|---|
 | 597 |   (type: [am=p]
 | 
|---|
 | 598 |    {exp coef:0} = {
 | 
|---|
 | 599 |    0.26362e+00 0.10000e+01
 | 
|---|
 | 600 |   })
 | 
|---|
 | 601 |   (type: [am=p]
 | 
|---|
 | 602 |    {exp coef:0} = {
 | 
|---|
 | 603 |    0.10828e+00 0.10000e+01
 | 
|---|
 | 604 |   })
 | 
|---|
 | 605 |   (type: [am=p]
 | 
|---|
 | 606 |    {exp coef:0} = {
 | 
|---|
 | 607 |    0.41189e-01 0.10000e+01
 | 
|---|
 | 608 |   })
 | 
|---|
 | 609 |   (type: [(am=d puream=1)]
 | 
|---|
 | 610 |    {exp coef:0} = {
 | 
|---|
 | 611 |    0.66600e+01 0.10000e+01
 | 
|---|
 | 612 |   })
 | 
|---|
 | 613 |   (type: [(am=d puream=1)]
 | 
|---|
 | 614 |    {exp coef:0} = {
 | 
|---|
 | 615 |    0.17500e+01 0.10000e+01
 | 
|---|
 | 616 |   })
 | 
|---|
 | 617 |   (type: [(am=d puream=1)]
 | 
|---|
 | 618 |    {exp coef:0} = {
 | 
|---|
 | 619 |    0.52000e+00 0.10000e+01
 | 
|---|
 | 620 |   })
 | 
|---|
 | 621 |   (type: [(am=d puream=1)]
 | 
|---|
 | 622 |    {exp coef:0} = {
 | 
|---|
 | 623 |    0.19000e+00 0.10000e+01
 | 
|---|
 | 624 |   })
 | 
|---|
 | 625 |   (type: [(am=f puream=1)]
 | 
|---|
 | 626 |    {exp coef:0} = {
 | 
|---|
 | 627 |    0.11500e+01 0.10000e+01
 | 
|---|
 | 628 |   })
 | 
|---|
 | 629 |   (type: [(am=f puream=1)]
 | 
|---|
 | 630 |    {exp coef:0} = {
 | 
|---|
 | 631 |    0.38000e+00 0.10000e+01
 | 
|---|
 | 632 |   })
 | 
|---|
 | 633 |   (type: [(am=g puream=1)]
 | 
|---|
 | 634 |    {exp coef:0} = {
 | 
|---|
 | 635 |    0.65000e+00 0.10000e+01
 | 
|---|
 | 636 |   })
 | 
|---|
 | 637 |   (type: [am=s]
 | 
|---|
 | 638 |    {exp coef:0} = {
 | 
|---|
 | 639 |    0.26105e-01 0.10000e+01
 | 
|---|
 | 640 |   })
 | 
|---|
 | 641 |   (type: [am=p]
 | 
|---|
 | 642 |    {exp coef:0} = {
 | 
|---|
 | 643 |    0.14560e-01 0.10000e+01
 | 
|---|
 | 644 |   })
 | 
|---|
 | 645 |   (type: [(am=d puream=1)]
 | 
|---|
 | 646 |    {exp coef:0} = {
 | 
|---|
 | 647 |    0.43680e-01 0.10000e+01
 | 
|---|
 | 648 |   })
 | 
|---|
 | 649 |   (type: [(am=f puream=1)]
 | 
|---|
 | 650 |    {exp coef:0} = {
 | 
|---|
 | 651 |    0.58240e-01 0.10000e+01
 | 
|---|
 | 652 |   })
 | 
|---|
 | 653 |   (type: [(am=g puream=1)]
 | 
|---|
 | 654 |    {exp coef:0} = {
 | 
|---|
 | 655 |    0.72800e-01 0.10000e+01
 | 
|---|
 | 656 |   })
 | 
|---|
 | 657 |  ]
 | 
|---|
 | 658 |  phosphorus: "pc-3-aug": [
 | 
|---|
 | 659 |   (type: [am=s]
 | 
|---|
 | 660 |    {exp coef:0} = {
 | 
|---|
 | 661 |    0.10637e+07 0.12509e-04
 | 
|---|
 | 662 |    0.16000e+06 0.96671e-04
 | 
|---|
 | 663 |    0.36513e+05 0.50682e-03
 | 
|---|
 | 664 |    0.10359e+05 0.21310e-02
 | 
|---|
 | 665 |    0.33828e+04 0.76925e-02
 | 
|---|
 | 666 |    0.12223e+04 0.24421e-01
 | 
|---|
 | 667 |    0.47730e+03 0.68122e-01
 | 
|---|
 | 668 |    0.19809e+03 0.16069e+00
 | 
|---|
 | 669 |    0.85994e+02 0.29867e+00
 | 
|---|
 | 670 |    0.38627e+02 0.35878e+00
 | 
|---|
 | 671 |    0.17688e+02 0.20616e+00
 | 
|---|
 | 672 |    0.72551e+01 0.27386e-01
 | 
|---|
 | 673 |   })
 | 
|---|
 | 674 |   (type: [am=s]
 | 
|---|
 | 675 |    {exp coef:0} = {
 | 
|---|
 | 676 |    0.10359e+05 -0.34502e-05
 | 
|---|
 | 677 |    0.33828e+04 -0.53427e-05
 | 
|---|
 | 678 |    0.12223e+04 -0.13814e-03
 | 
|---|
 | 679 |    0.47730e+03 -0.60882e-03
 | 
|---|
 | 680 |    0.19809e+03 -0.45064e-02
 | 
|---|
 | 681 |    0.85994e+02 -0.17071e-01
 | 
|---|
 | 682 |    0.38627e+02 -0.53954e-01
 | 
|---|
 | 683 |    0.17688e+02 -0.51494e-01
 | 
|---|
 | 684 |    0.72551e+01 0.13758e+00
 | 
|---|
 | 685 |    0.32699e+01 0.27525e+00
 | 
|---|
 | 686 |   })
 | 
|---|
 | 687 |   (type: [am=s]
 | 
|---|
 | 688 |    {exp coef:0} = {
 | 
|---|
 | 689 |    0.12223e+04 0.15801e-04
 | 
|---|
 | 690 |    0.47730e+03 0.11353e-03
 | 
|---|
 | 691 |    0.19809e+03 0.67329e-03
 | 
|---|
 | 692 |    0.85994e+02 0.30314e-02
 | 
|---|
 | 693 |    0.38627e+02 0.92292e-02
 | 
|---|
 | 694 |    0.17688e+02 0.11936e-01
 | 
|---|
 | 695 |    0.72551e+01 -0.35725e-01
 | 
|---|
 | 696 |    0.32699e+01 -0.15875e+00
 | 
|---|
 | 697 |    0.14313e+01 -0.21236e+00
 | 
|---|
 | 698 |   })
 | 
|---|
 | 699 |   (type: [am=s]
 | 
|---|
 | 700 |    {exp coef:0} = {
 | 
|---|
 | 701 |    0.47047e+00 0.10000e+01
 | 
|---|
 | 702 |   })
 | 
|---|
 | 703 |   (type: [am=s]
 | 
|---|
 | 704 |    {exp coef:0} = {
 | 
|---|
 | 705 |    0.21289e+00 0.10000e+01
 | 
|---|
 | 706 |   })
 | 
|---|
 | 707 |   (type: [am=s]
 | 
|---|
 | 708 |    {exp coef:0} = {
 | 
|---|
 | 709 |    0.87742e-01 0.10000e+01
 | 
|---|
 | 710 |   })
 | 
|---|
 | 711 |   (type: [am=p]
 | 
|---|
 | 712 |    {exp coef:0} = {
 | 
|---|
 | 713 |    0.27622e+04 0.12618e-03
 | 
|---|
 | 714 |    0.65478e+03 0.11048e-02
 | 
|---|
 | 715 |    0.21258e+03 0.61483e-02
 | 
|---|
 | 716 |    0.79895e+02 0.26307e-01
 | 
|---|
 | 717 |    0.33366e+02 0.79866e-01
 | 
|---|
 | 718 |    0.14986e+02 0.18840e+00
 | 
|---|
 | 719 |    0.69680e+01 0.31362e+00
 | 
|---|
 | 720 |    0.32818e+01 0.35326e+00
 | 
|---|
 | 721 |    0.15247e+01 0.21366e+00
 | 
|---|
 | 722 |   })
 | 
|---|
 | 723 |   (type: [am=p]
 | 
|---|
 | 724 |    {exp coef:0} = {
 | 
|---|
 | 725 |    0.65478e+03 0.59592e-05
 | 
|---|
 | 726 |    0.21258e+03 -0.68086e-05
 | 
|---|
 | 727 |    0.79895e+02 0.74513e-04
 | 
|---|
 | 728 |    0.33366e+02 -0.60664e-03
 | 
|---|
 | 729 |    0.14986e+02 -0.12604e-02
 | 
|---|
 | 730 |    0.69680e+01 -0.94719e-02
 | 
|---|
 | 731 |    0.32818e+01 -0.44014e-02
 | 
|---|
 | 732 |    0.15247e+01 0.12466e-01
 | 
|---|
 | 733 |    0.66924e+00 0.21343e+00
 | 
|---|
 | 734 |   })
 | 
|---|
 | 735 |   (type: [am=p]
 | 
|---|
 | 736 |    {exp coef:0} = {
 | 
|---|
 | 737 |    0.29929e+00 0.10000e+01
 | 
|---|
 | 738 |   })
 | 
|---|
 | 739 |   (type: [am=p]
 | 
|---|
 | 740 |    {exp coef:0} = {
 | 
|---|
 | 741 |    0.12811e+00 0.10000e+01
 | 
|---|
 | 742 |   })
 | 
|---|
 | 743 |   (type: [am=p]
 | 
|---|
 | 744 |    {exp coef:0} = {
 | 
|---|
 | 745 |    0.50992e-01 0.10000e+01
 | 
|---|
 | 746 |   })
 | 
|---|
 | 747 |   (type: [(am=d puream=1)]
 | 
|---|
 | 748 |    {exp coef:0} = {
 | 
|---|
 | 749 |    0.77100e+01 0.10000e+01
 | 
|---|
 | 750 |   })
 | 
|---|
 | 751 |   (type: [(am=d puream=1)]
 | 
|---|
 | 752 |    {exp coef:0} = {
 | 
|---|
 | 753 |    0.20300e+01 0.10000e+01
 | 
|---|
 | 754 |   })
 | 
|---|
 | 755 |   (type: [(am=d puream=1)]
 | 
|---|
 | 756 |    {exp coef:0} = {
 | 
|---|
 | 757 |    0.60000e+00 0.10000e+01
 | 
|---|
 | 758 |   })
 | 
|---|
 | 759 |   (type: [(am=d puream=1)]
 | 
|---|
 | 760 |    {exp coef:0} = {
 | 
|---|
 | 761 |    0.22000e+00 0.10000e+01
 | 
|---|
 | 762 |   })
 | 
|---|
 | 763 |   (type: [(am=f puream=1)]
 | 
|---|
 | 764 |    {exp coef:0} = {
 | 
|---|
 | 765 |    0.13400e+01 0.10000e+01
 | 
|---|
 | 766 |   })
 | 
|---|
 | 767 |   (type: [(am=f puream=1)]
 | 
|---|
 | 768 |    {exp coef:0} = {
 | 
|---|
 | 769 |    0.45000e+00 0.10000e+01
 | 
|---|
 | 770 |   })
 | 
|---|
 | 771 |   (type: [(am=g puream=1)]
 | 
|---|
 | 772 |    {exp coef:0} = {
 | 
|---|
 | 773 |    0.72000e+00 0.10000e+01
 | 
|---|
 | 774 |   })
 | 
|---|
 | 775 |   (type: [am=s]
 | 
|---|
 | 776 |    {exp coef:0} = {
 | 
|---|
 | 777 |    0.33408e-01 0.10000e+01
 | 
|---|
 | 778 |   })
 | 
|---|
 | 779 |   (type: [am=p]
 | 
|---|
 | 780 |    {exp coef:0} = {
 | 
|---|
 | 781 |    0.18800e-01 0.10000e+01
 | 
|---|
 | 782 |   })
 | 
|---|
 | 783 |   (type: [(am=d puream=1)]
 | 
|---|
 | 784 |    {exp coef:0} = {
 | 
|---|
 | 785 |    0.56399e-01 0.10000e+01
 | 
|---|
 | 786 |   })
 | 
|---|
 | 787 |   (type: [(am=f puream=1)]
 | 
|---|
 | 788 |    {exp coef:0} = {
 | 
|---|
 | 789 |    0.75199e-01 0.10000e+01
 | 
|---|
 | 790 |   })
 | 
|---|
 | 791 |   (type: [(am=g puream=1)]
 | 
|---|
 | 792 |    {exp coef:0} = {
 | 
|---|
 | 793 |    0.93999e-01 0.10000e+01
 | 
|---|
 | 794 |   })
 | 
|---|
 | 795 |  ]
 | 
|---|
 | 796 |  sulfur: "pc-3-aug": [
 | 
|---|
 | 797 |   (type: [am=s]
 | 
|---|
 | 798 |    {exp coef:0} = {
 | 
|---|
 | 799 |    0.12504e+07 0.12023e-04
 | 
|---|
 | 800 |    0.18808e+06 0.92935e-04
 | 
|---|
 | 801 |    0.42918e+05 0.48720e-03
 | 
|---|
 | 802 |    0.12179e+05 0.20479e-02
 | 
|---|
 | 803 |    0.39787e+04 0.73897e-02
 | 
|---|
 | 804 |    0.14381e+04 0.23481e-01
 | 
|---|
 | 805 |    0.56167e+03 0.65685e-01
 | 
|---|
 | 806 |    0.23311e+03 0.15597e+00
 | 
|---|
 | 807 |    0.10122e+03 0.29322e+00
 | 
|---|
 | 808 |    0.45493e+02 0.36011e+00
 | 
|---|
 | 809 |    0.20847e+02 0.21506e+00
 | 
|---|
 | 810 |    0.86492e+01 0.30782e-01
 | 
|---|
 | 811 |   })
 | 
|---|
 | 812 |   (type: [am=s]
 | 
|---|
 | 813 |    {exp coef:0} = {
 | 
|---|
 | 814 |    0.12179e+05 -0.30383e-05
 | 
|---|
 | 815 |    0.39787e+04 -0.46456e-05
 | 
|---|
 | 816 |    0.14381e+04 -0.12316e-03
 | 
|---|
 | 817 |    0.56167e+03 -0.54723e-03
 | 
|---|
 | 818 |    0.23311e+03 -0.40702e-02
 | 
|---|
 | 819 |    0.10122e+03 -0.15652e-01
 | 
|---|
 | 820 |    0.45493e+02 -0.50309e-01
 | 
|---|
 | 821 |    0.20847e+02 -0.51517e-01
 | 
|---|
 | 822 |    0.86492e+01 0.11823e+00
 | 
|---|
 | 823 |    0.39456e+01 0.25628e+00
 | 
|---|
 | 824 |   })
 | 
|---|
 | 825 |   (type: [am=s]
 | 
|---|
 | 826 |    {exp coef:0} = {
 | 
|---|
 | 827 |    0.14381e+04 0.19556e-04
 | 
|---|
 | 828 |    0.56167e+03 0.14386e-03
 | 
|---|
 | 829 |    0.23311e+03 0.84419e-03
 | 
|---|
 | 830 |    0.10122e+03 0.38621e-02
 | 
|---|
 | 831 |    0.45493e+02 0.11813e-01
 | 
|---|
 | 832 |    0.20847e+02 0.16114e-01
 | 
|---|
 | 833 |    0.86492e+01 -0.41492e-01
 | 
|---|
 | 834 |    0.39456e+01 -0.18517e+00
 | 
|---|
 | 835 |    0.17472e+01 -0.23963e+00
 | 
|---|
 | 836 |   })
 | 
|---|
 | 837 |   (type: [am=s]
 | 
|---|
 | 838 |    {exp coef:0} = {
 | 
|---|
 | 839 |    0.59953e+00 0.10000e+01
 | 
|---|
 | 840 |   })
 | 
|---|
 | 841 |   (type: [am=s]
 | 
|---|
 | 842 |    {exp coef:0} = {
 | 
|---|
 | 843 |    0.27127e+00 0.10000e+01
 | 
|---|
 | 844 |   })
 | 
|---|
 | 845 |   (type: [am=s]
 | 
|---|
 | 846 |    {exp coef:0} = {
 | 
|---|
 | 847 |    0.11080e+00 0.10000e+01
 | 
|---|
 | 848 |   })
 | 
|---|
 | 849 |   (type: [am=p]
 | 
|---|
 | 850 |    {exp coef:0} = {
 | 
|---|
 | 851 |    0.32858e+04 0.12062e-03
 | 
|---|
 | 852 |    0.77893e+03 0.10587e-02
 | 
|---|
 | 853 |    0.25276e+03 0.59191e-02
 | 
|---|
 | 854 |    0.95100e+02 0.25405e-01
 | 
|---|
 | 855 |    0.39820e+02 0.77859e-01
 | 
|---|
 | 856 |    0.17925e+02 0.18578e+00
 | 
|---|
 | 857 |    0.83699e+01 0.31347e+00
 | 
|---|
 | 858 |    0.39655e+01 0.35718e+00
 | 
|---|
 | 859 |    0.18540e+01 0.21179e+00
 | 
|---|
 | 860 |   })
 | 
|---|
 | 861 |   (type: [am=p]
 | 
|---|
 | 862 |    {exp coef:0} = {
 | 
|---|
 | 863 |    0.77893e+03 0.42397e-05
 | 
|---|
 | 864 |    0.25276e+03 -0.74333e-05
 | 
|---|
 | 865 |    0.95100e+02 0.27726e-04
 | 
|---|
 | 866 |    0.39820e+02 -0.65028e-03
 | 
|---|
 | 867 |    0.17925e+02 -0.18933e-02
 | 
|---|
 | 868 |    0.83699e+01 -0.10191e-01
 | 
|---|
 | 869 |    0.39655e+01 -0.76291e-02
 | 
|---|
 | 870 |    0.18540e+01 0.21032e-01
 | 
|---|
 | 871 |    0.81971e+00 0.24347e+00
 | 
|---|
 | 872 |   })
 | 
|---|
 | 873 |   (type: [am=p]
 | 
|---|
 | 874 |    {exp coef:0} = {
 | 
|---|
 | 875 |    0.36117e+00 0.10000e+01
 | 
|---|
 | 876 |   })
 | 
|---|
 | 877 |   (type: [am=p]
 | 
|---|
 | 878 |    {exp coef:0} = {
 | 
|---|
 | 879 |    0.15097e+00 0.10000e+01
 | 
|---|
 | 880 |   })
 | 
|---|
 | 881 |   (type: [am=p]
 | 
|---|
 | 882 |    {exp coef:0} = {
 | 
|---|
 | 883 |    0.59620e-01 0.10000e+01
 | 
|---|
 | 884 |   })
 | 
|---|
 | 885 |   (type: [(am=d puream=1)]
 | 
|---|
 | 886 |    {exp coef:0} = {
 | 
|---|
 | 887 |    0.87600e+01 0.10000e+01
 | 
|---|
 | 888 |   })
 | 
|---|
 | 889 |   (type: [(am=d puream=1)]
 | 
|---|
 | 890 |    {exp coef:0} = {
 | 
|---|
 | 891 |    0.23000e+01 0.10000e+01
 | 
|---|
 | 892 |   })
 | 
|---|
 | 893 |   (type: [(am=d puream=1)]
 | 
|---|
 | 894 |    {exp coef:0} = {
 | 
|---|
 | 895 |    0.68000e+00 0.10000e+01
 | 
|---|
 | 896 |   })
 | 
|---|
 | 897 |   (type: [(am=d puream=1)]
 | 
|---|
 | 898 |    {exp coef:0} = {
 | 
|---|
 | 899 |    0.25000e+00 0.10000e+01
 | 
|---|
 | 900 |   })
 | 
|---|
 | 901 |   (type: [(am=f puream=1)]
 | 
|---|
 | 902 |    {exp coef:0} = {
 | 
|---|
 | 903 |    0.15300e+01 0.10000e+01
 | 
|---|
 | 904 |   })
 | 
|---|
 | 905 |   (type: [(am=f puream=1)]
 | 
|---|
 | 906 |    {exp coef:0} = {
 | 
|---|
 | 907 |    0.51000e+00 0.10000e+01
 | 
|---|
 | 908 |   })
 | 
|---|
 | 909 |   (type: [(am=g puream=1)]
 | 
|---|
 | 910 |    {exp coef:0} = {
 | 
|---|
 | 911 |    0.79000e+00 0.10000e+01
 | 
|---|
 | 912 |   })
 | 
|---|
 | 913 |   (type: [am=s]
 | 
|---|
 | 914 |    {exp coef:0} = {
 | 
|---|
 | 915 |    0.41837e-01 0.10000e+01
 | 
|---|
 | 916 |   })
 | 
|---|
 | 917 |   (type: [am=p]
 | 
|---|
 | 918 |    {exp coef:0} = {
 | 
|---|
 | 919 |    0.21820e-01 0.10000e+01
 | 
|---|
 | 920 |   })
 | 
|---|
 | 921 |   (type: [(am=d puream=1)]
 | 
|---|
 | 922 |    {exp coef:0} = {
 | 
|---|
 | 923 |    0.65461e-01 0.10000e+01
 | 
|---|
 | 924 |   })
 | 
|---|
 | 925 |   (type: [(am=f puream=1)]
 | 
|---|
 | 926 |    {exp coef:0} = {
 | 
|---|
 | 927 |    0.87282e-01 0.10000e+01
 | 
|---|
 | 928 |   })
 | 
|---|
 | 929 |   (type: [(am=g puream=1)]
 | 
|---|
 | 930 |    {exp coef:0} = {
 | 
|---|
 | 931 |    0.10910e+00 0.10000e+01
 | 
|---|
 | 932 |   })
 | 
|---|
 | 933 |  ]
 | 
|---|
 | 934 |  chlorine: "pc-3-aug": [
 | 
|---|
 | 935 |   (type: [am=s]
 | 
|---|
 | 936 |    {exp coef:0} = {
 | 
|---|
 | 937 |    0.14611e+07 0.11534e-04
 | 
|---|
 | 938 |    0.21959e+06 0.89235e-04
 | 
|---|
 | 939 |    0.50085e+05 0.46811e-03
 | 
|---|
 | 940 |    0.14206e+05 0.19692e-02
 | 
|---|
 | 941 |    0.46389e+04 0.71112e-02
 | 
|---|
 | 942 |    0.16763e+04 0.22625e-01
 | 
|---|
 | 943 |    0.65451e+03 0.63488e-01
 | 
|---|
 | 944 |    0.27153e+03 0.15173e+00
 | 
|---|
 | 945 |    0.11787e+03 0.28826e+00
 | 
|---|
 | 946 |    0.52984e+02 0.36113e+00
 | 
|---|
 | 947 |    0.24292e+02 0.22303e+00
 | 
|---|
 | 948 |    0.10184e+02 0.34031e-01
 | 
|---|
 | 949 |   })
 | 
|---|
 | 950 |   (type: [am=s]
 | 
|---|
 | 951 |    {exp coef:0} = {
 | 
|---|
 | 952 |    0.14206e+05 -0.27093e-05
 | 
|---|
 | 953 |    0.46389e+04 -0.43191e-05
 | 
|---|
 | 954 |    0.16763e+04 -0.10907e-03
 | 
|---|
 | 955 |    0.65451e+03 -0.48853e-03
 | 
|---|
 | 956 |    0.27153e+03 -0.36327e-02
 | 
|---|
 | 957 |    0.11787e+03 -0.14142e-01
 | 
|---|
 | 958 |    0.52984e+02 -0.46167e-01
 | 
|---|
 | 959 |    0.24292e+02 -0.50107e-01
 | 
|---|
 | 960 |    0.10184e+02 0.99999e-01
 | 
|---|
 | 961 |    0.46928e+01 0.23750e+00
 | 
|---|
 | 962 |   })
 | 
|---|
 | 963 |   (type: [am=s]
 | 
|---|
 | 964 |    {exp coef:0} = {
 | 
|---|
 | 965 |    0.46389e+04 0.28740e-05
 | 
|---|
 | 966 |    0.16763e+04 0.24949e-04
 | 
|---|
 | 967 |    0.65451e+03 0.18272e-03
 | 
|---|
 | 968 |    0.27153e+03 0.10821e-02
 | 
|---|
 | 969 |    0.11787e+03 0.49846e-02
 | 
|---|
 | 970 |    0.52984e+02 0.15414e-01
 | 
|---|
 | 971 |    0.24292e+02 0.21774e-01
 | 
|---|
 | 972 |    0.10184e+02 -0.48881e-01
 | 
|---|
 | 973 |    0.46928e+01 -0.21808e+00
 | 
|---|
 | 974 |    0.20974e+01 -0.27412e+00
 | 
|---|
 | 975 |   })
 | 
|---|
 | 976 |   (type: [am=s]
 | 
|---|
 | 977 |    {exp coef:0} = {
 | 
|---|
 | 978 |    0.74867e+00 0.10000e+01
 | 
|---|
 | 979 |   })
 | 
|---|
 | 980 |   (type: [am=s]
 | 
|---|
 | 981 |    {exp coef:0} = {
 | 
|---|
 | 982 |    0.33613e+00 0.10000e+01
 | 
|---|
 | 983 |   })
 | 
|---|
 | 984 |   (type: [am=s]
 | 
|---|
 | 985 |    {exp coef:0} = {
 | 
|---|
 | 986 |    0.13573e+00 0.10000e+01
 | 
|---|
 | 987 |   })
 | 
|---|
 | 988 |   (type: [am=p]
 | 
|---|
 | 989 |    {exp coef:0} = {
 | 
|---|
 | 990 |    0.38457e+04 0.11653e-03
 | 
|---|
 | 991 |    0.91123e+03 0.10250e-02
 | 
|---|
 | 992 |    0.29564e+03 0.57481e-02
 | 
|---|
 | 993 |    0.11140e+03 0.24700e-01
 | 
|---|
 | 994 |    0.46767e+02 0.76263e-01
 | 
|---|
 | 995 |    0.21106e+02 0.18343e+00
 | 
|---|
 | 996 |    0.99058e+01 0.31219e+00
 | 
|---|
 | 997 |    0.47347e+01 0.35836e+00
 | 
|---|
 | 998 |    0.22364e+01 0.21176e+00
 | 
|---|
 | 999 |   })
 | 
|---|
 | 1000 |   (type: [am=p]
 | 
|---|
 | 1001 |    {exp coef:0} = {
 | 
|---|
 | 1002 |    0.91123e+03 0.35761e-05
 | 
|---|
 | 1003 |    0.29564e+03 -0.77768e-05
 | 
|---|
 | 1004 |    0.11140e+03 0.67666e-05
 | 
|---|
 | 1005 |    0.46767e+02 -0.69394e-03
 | 
|---|
 | 1006 |    0.21106e+02 -0.22563e-02
 | 
|---|
 | 1007 |    0.99058e+01 -0.11018e-01
 | 
|---|
 | 1008 |    0.47347e+01 -0.93663e-02
 | 
|---|
 | 1009 |    0.22364e+01 0.25171e-01
 | 
|---|
 | 1010 |    0.10071e+01 0.25574e+00
 | 
|---|
 | 1011 |   })
 | 
|---|
 | 1012 |   (type: [am=p]
 | 
|---|
 | 1013 |    {exp coef:0} = {
 | 
|---|
 | 1014 |    0.44369e+00 0.10000e+01
 | 
|---|
 | 1015 |   })
 | 
|---|
 | 1016 |   (type: [am=p]
 | 
|---|
 | 1017 |    {exp coef:0} = {
 | 
|---|
 | 1018 |    0.18488e+00 0.10000e+01
 | 
|---|
 | 1019 |   })
 | 
|---|
 | 1020 |   (type: [am=p]
 | 
|---|
 | 1021 |    {exp coef:0} = {
 | 
|---|
 | 1022 |    0.73268e-01 0.10000e+01
 | 
|---|
 | 1023 |   })
 | 
|---|
 | 1024 |   (type: [(am=d puream=1)]
 | 
|---|
 | 1025 |    {exp coef:0} = {
 | 
|---|
 | 1026 |    0.98100e+01 0.10000e+01
 | 
|---|
 | 1027 |   })
 | 
|---|
 | 1028 |   (type: [(am=d puream=1)]
 | 
|---|
 | 1029 |    {exp coef:0} = {
 | 
|---|
 | 1030 |    0.25800e+01 0.10000e+01
 | 
|---|
 | 1031 |   })
 | 
|---|
 | 1032 |   (type: [(am=d puream=1)]
 | 
|---|
 | 1033 |    {exp coef:0} = {
 | 
|---|
 | 1034 |    0.76000e+00 0.10000e+01
 | 
|---|
 | 1035 |   })
 | 
|---|
 | 1036 |   (type: [(am=d puream=1)]
 | 
|---|
 | 1037 |    {exp coef:0} = {
 | 
|---|
 | 1038 |    0.28000e+00 0.10000e+01
 | 
|---|
 | 1039 |   })
 | 
|---|
 | 1040 |   (type: [(am=f puream=1)]
 | 
|---|
 | 1041 |    {exp coef:0} = {
 | 
|---|
 | 1042 |    0.17200e+01 0.10000e+01
 | 
|---|
 | 1043 |   })
 | 
|---|
 | 1044 |   (type: [(am=f puream=1)]
 | 
|---|
 | 1045 |    {exp coef:0} = {
 | 
|---|
 | 1046 |    0.57000e+00 0.10000e+01
 | 
|---|
 | 1047 |   })
 | 
|---|
 | 1048 |   (type: [(am=g puream=1)]
 | 
|---|
 | 1049 |    {exp coef:0} = {
 | 
|---|
 | 1050 |    0.86000e+00 0.10000e+01
 | 
|---|
 | 1051 |   })
 | 
|---|
 | 1052 |   (type: [am=s]
 | 
|---|
 | 1053 |    {exp coef:0} = {
 | 
|---|
 | 1054 |    0.50711e-01 0.10000e+01
 | 
|---|
 | 1055 |   })
 | 
|---|
 | 1056 |   (type: [am=p]
 | 
|---|
 | 1057 |    {exp coef:0} = {
 | 
|---|
 | 1058 |    0.26904e-01 0.10000e+01
 | 
|---|
 | 1059 |   })
 | 
|---|
 | 1060 |   (type: [(am=d puream=1)]
 | 
|---|
 | 1061 |    {exp coef:0} = {
 | 
|---|
 | 1062 |    0.80711e-01 0.10000e+01
 | 
|---|
 | 1063 |   })
 | 
|---|
 | 1064 |   (type: [(am=f puream=1)]
 | 
|---|
 | 1065 |    {exp coef:0} = {
 | 
|---|
 | 1066 |    0.10761e+00 0.10000e+01
 | 
|---|
 | 1067 |   })
 | 
|---|
 | 1068 |   (type: [(am=g puream=1)]
 | 
|---|
 | 1069 |    {exp coef:0} = {
 | 
|---|
 | 1070 |    0.13452e+00 0.10000e+01
 | 
|---|
 | 1071 |   })
 | 
|---|
 | 1072 |  ]
 | 
|---|
 | 1073 | )
 | 
|---|
       
      
  Note:
 See   
TracBrowser
 for help on using the repository browser.