Candidate_v1.7.0
        stable
      
      
      
| Rev | Line |   | 
|---|
| [0b990d] | 1 | basis: (
 | 
|---|
 | 2 |  hydrogen: "pc-2-aug": [
 | 
|---|
 | 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 |   (type: [am=s]
 | 
|---|
 | 31 |    {exp coef:0} = {
 | 
|---|
 | 32 |    0.22334e-01 0.10000e+01
 | 
|---|
 | 33 |   })
 | 
|---|
 | 34 |   (type: [am=p]
 | 
|---|
 | 35 |    {exp coef:0} = {
 | 
|---|
 | 36 |    0.67001e-01 0.10000e+01
 | 
|---|
 | 37 |   })
 | 
|---|
 | 38 |   (type: [(am=d puream=1)]
 | 
|---|
 | 39 |    {exp coef:0} = {
 | 
|---|
 | 40 |    0.89334e-01 0.10000e+01
 | 
|---|
 | 41 |   })
 | 
|---|
 | 42 |  ]
 | 
|---|
 | 43 |  carbon: "pc-2-aug": [
 | 
|---|
 | 44 |   (type: [am=s]
 | 
|---|
 | 45 |    {exp coef:0} = {
 | 
|---|
 | 46 |    0.78571e+04 0.56822e-03
 | 
|---|
 | 47 |    0.11787e+04 0.43912e-02
 | 
|---|
 | 48 |    0.26832e+03 0.22503e-01
 | 
|---|
 | 49 |    0.75948e+02 0.86643e-01
 | 
|---|
 | 50 |    0.24559e+02 0.24406e+00
 | 
|---|
 | 51 |    0.86212e+01 0.44133e+00
 | 
|---|
 | 52 |    0.31278e+01 0.35342e+00
 | 
|---|
 | 53 |   })
 | 
|---|
 | 54 |   (type: [am=s]
 | 
|---|
 | 55 |    {exp coef:0} = {
 | 
|---|
 | 56 |    0.11787e+04 0.96183e-06
 | 
|---|
 | 57 |    0.26832e+03 0.62126e-04
 | 
|---|
 | 58 |    0.75948e+02 0.77125e-03
 | 
|---|
 | 59 |    0.24559e+02 0.73217e-02
 | 
|---|
 | 60 |    0.86212e+01 0.39106e-01
 | 
|---|
 | 61 |    0.31278e+01 0.89222e-01
 | 
|---|
 | 62 |    0.82202e+00 -0.21859e+00
 | 
|---|
 | 63 |   })
 | 
|---|
 | 64 |   (type: [am=s]
 | 
|---|
 | 65 |    {exp coef:0} = {
 | 
|---|
 | 66 |    0.33017e+00 0.10000e+01
 | 
|---|
 | 67 |   })
 | 
|---|
 | 68 |   (type: [am=s]
 | 
|---|
 | 69 |    {exp coef:0} = {
 | 
|---|
 | 70 |    0.11463e+00 0.10000e+01
 | 
|---|
 | 71 |   })
 | 
|---|
 | 72 |   (type: [am=p]
 | 
|---|
 | 73 |    {exp coef:0} = {
 | 
|---|
 | 74 |    0.33775e+02 0.59791e-02
 | 
|---|
 | 75 |    0.76766e+01 0.43276e-01
 | 
|---|
 | 76 |    0.22357e+01 0.16125e+00
 | 
|---|
 | 77 |    0.76447e+00 0.36373e+00
 | 
|---|
 | 78 |   })
 | 
|---|
 | 79 |   (type: [am=p]
 | 
|---|
 | 80 |    {exp coef:0} = {
 | 
|---|
 | 81 |    0.26232e+00 0.10000e+01
 | 
|---|
 | 82 |   })
 | 
|---|
 | 83 |   (type: [am=p]
 | 
|---|
 | 84 |    {exp coef:0} = {
 | 
|---|
 | 85 |    0.84638e-01 0.10000e+01
 | 
|---|
 | 86 |   })
 | 
|---|
 | 87 |   (type: [(am=d puream=1)]
 | 
|---|
 | 88 |    {exp coef:0} = {
 | 
|---|
 | 89 |    0.14000e+01 0.10000e+01
 | 
|---|
 | 90 |   })
 | 
|---|
 | 91 |   (type: [(am=d puream=1)]
 | 
|---|
 | 92 |    {exp coef:0} = {
 | 
|---|
 | 93 |    0.45000e+00 0.10000e+01
 | 
|---|
 | 94 |   })
 | 
|---|
 | 95 |   (type: [(am=f puream=1)]
 | 
|---|
 | 96 |    {exp coef:0} = {
 | 
|---|
 | 97 |    0.95000e+00 0.10000e+01
 | 
|---|
 | 98 |   })
 | 
|---|
 | 99 |   (type: [am=s]
 | 
|---|
 | 100 |    {exp coef:0} = {
 | 
|---|
 | 101 |    0.37217e-01 0.10000e+01
 | 
|---|
 | 102 |   })
 | 
|---|
 | 103 |   (type: [am=p]
 | 
|---|
 | 104 |    {exp coef:0} = {
 | 
|---|
 | 105 |    0.26449e-01 0.10000e+01
 | 
|---|
 | 106 |   })
 | 
|---|
 | 107 |   (type: [(am=d puream=1)]
 | 
|---|
 | 108 |    {exp coef:0} = {
 | 
|---|
 | 109 |    0.79348e-01 0.10000e+01
 | 
|---|
 | 110 |   })
 | 
|---|
 | 111 |   (type: [(am=f puream=1)]
 | 
|---|
 | 112 |    {exp coef:0} = {
 | 
|---|
 | 113 |    0.10580e+00 0.10000e+01
 | 
|---|
 | 114 |   })
 | 
|---|
 | 115 |  ]
 | 
|---|
 | 116 |  nitrogen: "pc-2-aug": [
 | 
|---|
 | 117 |   (type: [am=s]
 | 
|---|
 | 118 |    {exp coef:0} = {
 | 
|---|
 | 119 |    0.11101e+05 0.54570e-03
 | 
|---|
 | 120 |    0.16653e+04 0.42181e-02
 | 
|---|
 | 121 |    0.37908e+03 0.21645e-01
 | 
|---|
 | 122 |    0.10730e+03 0.83776e-01
 | 
|---|
 | 123 |    0.34747e+02 0.23881e+00
 | 
|---|
 | 124 |    0.12249e+02 0.43994e+00
 | 
|---|
 | 125 |    0.44743e+01 0.36364e+00
 | 
|---|
 | 126 |   })
 | 
|---|
 | 127 |   (type: [am=s]
 | 
|---|
 | 128 |    {exp coef:0} = {
 | 
|---|
 | 129 |    0.16653e+04 0.15006e-05
 | 
|---|
 | 130 |    0.37908e+03 0.58753e-04
 | 
|---|
 | 131 |    0.10730e+03 0.77453e-03
 | 
|---|
 | 132 |    0.34747e+02 0.72161e-02
 | 
|---|
 | 133 |    0.12249e+02 0.39338e-01
 | 
|---|
 | 134 |    0.44743e+01 0.90611e-01
 | 
|---|
 | 135 |    0.12404e+01 -0.19882e+00
 | 
|---|
 | 136 |   })
 | 
|---|
 | 137 |   (type: [am=s]
 | 
|---|
 | 138 |    {exp coef:0} = {
 | 
|---|
 | 139 |    0.48743e+00 0.10000e+01
 | 
|---|
 | 140 |   })
 | 
|---|
 | 141 |   (type: [am=s]
 | 
|---|
 | 142 |    {exp coef:0} = {
 | 
|---|
 | 143 |    0.16484e+00 0.10000e+01
 | 
|---|
 | 144 |   })
 | 
|---|
 | 145 |   (type: [am=p]
 | 
|---|
 | 146 |    {exp coef:0} = {
 | 
|---|
 | 147 |    0.47934e+02 0.61706e-02
 | 
|---|
 | 148 |    0.10999e+02 0.44260e-01
 | 
|---|
 | 149 |    0.32472e+01 0.16825e+00
 | 
|---|
 | 150 |    0.11114e+01 0.36848e+00
 | 
|---|
 | 151 |   })
 | 
|---|
 | 152 |   (type: [am=p]
 | 
|---|
 | 153 |    {exp coef:0} = {
 | 
|---|
 | 154 |    0.37988e+00 0.10000e+01
 | 
|---|
 | 155 |   })
 | 
|---|
 | 156 |   (type: [am=p]
 | 
|---|
 | 157 |    {exp coef:0} = {
 | 
|---|
 | 158 |    0.12068e+00 0.10000e+01
 | 
|---|
 | 159 |   })
 | 
|---|
 | 160 |   (type: [(am=d puream=1)]
 | 
|---|
 | 161 |    {exp coef:0} = {
 | 
|---|
 | 162 |    0.18000e+01 0.10000e+01
 | 
|---|
 | 163 |   })
 | 
|---|
 | 164 |   (type: [(am=d puream=1)]
 | 
|---|
 | 165 |    {exp coef:0} = {
 | 
|---|
 | 166 |    0.55000e+00 0.10000e+01
 | 
|---|
 | 167 |   })
 | 
|---|
 | 168 |   (type: [(am=f puream=1)]
 | 
|---|
 | 169 |    {exp coef:0} = {
 | 
|---|
 | 170 |    0.10200e+01 0.10000e+01
 | 
|---|
 | 171 |   })
 | 
|---|
 | 172 |   (type: [am=s]
 | 
|---|
 | 173 |    {exp coef:0} = {
 | 
|---|
 | 174 |    0.52165e-01 0.10000e+01
 | 
|---|
 | 175 |   })
 | 
|---|
 | 176 |   (type: [am=p]
 | 
|---|
 | 177 |    {exp coef:0} = {
 | 
|---|
 | 178 |    0.36023e-01 0.10000e+01
 | 
|---|
 | 179 |   })
 | 
|---|
 | 180 |   (type: [(am=d puream=1)]
 | 
|---|
 | 181 |    {exp coef:0} = {
 | 
|---|
 | 182 |    0.10807e+00 0.10000e+01
 | 
|---|
 | 183 |   })
 | 
|---|
 | 184 |   (type: [(am=f puream=1)]
 | 
|---|
 | 185 |    {exp coef:0} = {
 | 
|---|
 | 186 |    0.14409e+00 0.10000e+01
 | 
|---|
 | 187 |   })
 | 
|---|
 | 188 |  ]
 | 
|---|
 | 189 |  oxygen: "pc-2-aug": [
 | 
|---|
 | 190 |   (type: [am=s]
 | 
|---|
 | 191 |    {exp coef:0} = {
 | 
|---|
 | 192 |    0.14782e+05 0.53516e-03
 | 
|---|
 | 193 |    0.22173e+04 0.41373e-02
 | 
|---|
 | 194 |    0.50474e+03 0.21244e-01
 | 
|---|
 | 195 |    0.14287e+03 0.82447e-01
 | 
|---|
 | 196 |    0.46300e+02 0.23670e+00
 | 
|---|
 | 197 |    0.16337e+02 0.44028e+00
 | 
|---|
 | 198 |    0.59828e+01 0.36473e+00
 | 
|---|
 | 199 |   })
 | 
|---|
 | 200 |   (type: [am=s]
 | 
|---|
 | 201 |    {exp coef:0} = {
 | 
|---|
 | 202 |    0.22173e+04 0.21421e-05
 | 
|---|
 | 203 |    0.50474e+03 0.57894e-04
 | 
|---|
 | 204 |    0.14287e+03 0.80314e-03
 | 
|---|
 | 205 |    0.46300e+02 0.73144e-02
 | 
|---|
 | 206 |    0.16337e+02 0.40696e-01
 | 
|---|
 | 207 |    0.59828e+01 0.91877e-01
 | 
|---|
 | 208 |    0.16718e+01 -0.21057e+00
 | 
|---|
 | 209 |   })
 | 
|---|
 | 210 |   (type: [am=s]
 | 
|---|
 | 211 |    {exp coef:0} = {
 | 
|---|
 | 212 |    0.64662e+00 0.10000e+01
 | 
|---|
 | 213 |   })
 | 
|---|
 | 214 |   (type: [am=s]
 | 
|---|
 | 215 |    {exp coef:0} = {
 | 
|---|
 | 216 |    0.21669e+00 0.10000e+01
 | 
|---|
 | 217 |   })
 | 
|---|
 | 218 |   (type: [am=p]
 | 
|---|
 | 219 |    {exp coef:0} = {
 | 
|---|
 | 220 |    0.60424e+02 0.68724e-02
 | 
|---|
 | 221 |    0.13935e+02 0.49025e-01
 | 
|---|
 | 222 |    0.41531e+01 0.18189e+00
 | 
|---|
 | 223 |    0.14158e+01 0.37559e+00
 | 
|---|
 | 224 |   })
 | 
|---|
 | 225 |   (type: [am=p]
 | 
|---|
 | 226 |    {exp coef:0} = {
 | 
|---|
 | 227 |    0.47549e+00 0.10000e+01
 | 
|---|
 | 228 |   })
 | 
|---|
 | 229 |   (type: [am=p]
 | 
|---|
 | 230 |    {exp coef:0} = {
 | 
|---|
 | 231 |    0.14529e+00 0.10000e+01
 | 
|---|
 | 232 |   })
 | 
|---|
 | 233 |   (type: [(am=d puream=1)]
 | 
|---|
 | 234 |    {exp coef:0} = {
 | 
|---|
 | 235 |    0.22000e+01 0.10000e+01
 | 
|---|
 | 236 |   })
 | 
|---|
 | 237 |   (type: [(am=d puream=1)]
 | 
|---|
 | 238 |    {exp coef:0} = {
 | 
|---|
 | 239 |    0.65000e+00 0.10000e+01
 | 
|---|
 | 240 |   })
 | 
|---|
 | 241 |   (type: [(am=f puream=1)]
 | 
|---|
 | 242 |    {exp coef:0} = {
 | 
|---|
 | 243 |    0.11000e+01 0.10000e+01
 | 
|---|
 | 244 |   })
 | 
|---|
 | 245 |   (type: [am=s]
 | 
|---|
 | 246 |    {exp coef:0} = {
 | 
|---|
 | 247 |    0.68141e-01 0.10000e+01
 | 
|---|
 | 248 |   })
 | 
|---|
 | 249 |   (type: [am=p]
 | 
|---|
 | 250 |    {exp coef:0} = {
 | 
|---|
 | 251 |    0.41871e-01 0.10000e+01
 | 
|---|
 | 252 |   })
 | 
|---|
 | 253 |   (type: [(am=d puream=1)]
 | 
|---|
 | 254 |    {exp coef:0} = {
 | 
|---|
 | 255 |    0.12561e+00 0.10000e+01
 | 
|---|
 | 256 |   })
 | 
|---|
 | 257 |   (type: [(am=f puream=1)]
 | 
|---|
 | 258 |    {exp coef:0} = {
 | 
|---|
 | 259 |    0.16748e+00 0.10000e+01
 | 
|---|
 | 260 |   })
 | 
|---|
 | 261 |  ]
 | 
|---|
 | 262 |  fluorine: "pc-2-aug": [
 | 
|---|
 | 263 |   (type: [am=s]
 | 
|---|
 | 264 |    {exp coef:0} = {
 | 
|---|
 | 265 |    0.19127e+05 0.52247e-03
 | 
|---|
 | 266 |    0.28689e+04 0.40398e-02
 | 
|---|
 | 267 |    0.65304e+03 0.20758e-01
 | 
|---|
 | 268 |    0.18485e+03 0.80796e-01
 | 
|---|
 | 269 |    0.59949e+02 0.23360e+00
 | 
|---|
 | 270 |    0.21190e+02 0.43957e+00
 | 
|---|
 | 271 |    0.77846e+01 0.37047e+00
 | 
|---|
 | 272 |   })
 | 
|---|
 | 273 |   (type: [am=s]
 | 
|---|
 | 274 |    {exp coef:0} = {
 | 
|---|
 | 275 |    0.28689e+04 0.23704e-05
 | 
|---|
 | 276 |    0.65304e+03 0.56239e-04
 | 
|---|
 | 277 |    0.18485e+03 0.80276e-03
 | 
|---|
 | 278 |    0.59949e+02 0.72679e-02
 | 
|---|
 | 279 |    0.21190e+02 0.40910e-01
 | 
|---|
 | 280 |    0.77846e+01 0.93109e-01
 | 
|---|
 | 281 |    0.22305e+01 -0.20301e+00
 | 
|---|
 | 282 |   })
 | 
|---|
 | 283 |   (type: [am=s]
 | 
|---|
 | 284 |    {exp coef:0} = {
 | 
|---|
 | 285 |    0.85409e+00 0.10000e+01
 | 
|---|
 | 286 |   })
 | 
|---|
 | 287 |   (type: [am=s]
 | 
|---|
 | 288 |    {exp coef:0} = {
 | 
|---|
 | 289 |    0.28336e+00 0.10000e+01
 | 
|---|
 | 290 |   })
 | 
|---|
 | 291 |   (type: [am=p]
 | 
|---|
 | 292 |    {exp coef:0} = {
 | 
|---|
 | 293 |    0.77639e+02 0.70197e-02
 | 
|---|
 | 294 |    0.17965e+02 0.50148e-01
 | 
|---|
 | 295 |    0.54005e+01 0.18513e+00
 | 
|---|
 | 296 |    0.18423e+01 0.37517e+00
 | 
|---|
 | 297 |   })
 | 
|---|
 | 298 |   (type: [am=p]
 | 
|---|
 | 299 |    {exp coef:0} = {
 | 
|---|
 | 300 |    0.61532e+00 0.10000e+01
 | 
|---|
 | 301 |   })
 | 
|---|
 | 302 |   (type: [am=p]
 | 
|---|
 | 303 |    {exp coef:0} = {
 | 
|---|
 | 304 |    0.18489e+00 0.10000e+01
 | 
|---|
 | 305 |   })
 | 
|---|
 | 306 |   (type: [(am=d puream=1)]
 | 
|---|
 | 307 |    {exp coef:0} = {
 | 
|---|
 | 308 |    0.28000e+01 0.10000e+01
 | 
|---|
 | 309 |   })
 | 
|---|
 | 310 |   (type: [(am=d puream=1)]
 | 
|---|
 | 311 |    {exp coef:0} = {
 | 
|---|
 | 312 |    0.80000e+00 0.10000e+01
 | 
|---|
 | 313 |   })
 | 
|---|
 | 314 |   (type: [(am=f puream=1)]
 | 
|---|
 | 315 |    {exp coef:0} = {
 | 
|---|
 | 316 |    0.12000e+01 0.10000e+01
 | 
|---|
 | 317 |   })
 | 
|---|
 | 318 |   (type: [am=s]
 | 
|---|
 | 319 |    {exp coef:0} = {
 | 
|---|
 | 320 |    0.88276e-01 0.10000e+01
 | 
|---|
 | 321 |   })
 | 
|---|
 | 322 |   (type: [am=p]
 | 
|---|
 | 323 |    {exp coef:0} = {
 | 
|---|
 | 324 |    0.52376e-01 0.10000e+01
 | 
|---|
 | 325 |   })
 | 
|---|
 | 326 |   (type: [(am=d puream=1)]
 | 
|---|
 | 327 |    {exp coef:0} = {
 | 
|---|
 | 328 |    0.15713e+00 0.10000e+01
 | 
|---|
 | 329 |   })
 | 
|---|
 | 330 |   (type: [(am=f puream=1)]
 | 
|---|
 | 331 |    {exp coef:0} = {
 | 
|---|
 | 332 |    0.20951e+00 0.10000e+01
 | 
|---|
 | 333 |   })
 | 
|---|
 | 334 |  ]
 | 
|---|
 | 335 |  silicon: "pc-2-aug": [
 | 
|---|
 | 336 |   (type: [am=s]
 | 
|---|
 | 337 |    {exp coef:0} = {
 | 
|---|
 | 338 |    0.12004e+06 0.16075e-03
 | 
|---|
 | 339 |    0.17991e+05 0.12472e-02
 | 
|---|
 | 340 |    0.40948e+04 0.65040e-02
 | 
|---|
 | 341 |    0.11596e+04 0.26665e-01
 | 
|---|
 | 342 |    0.37800e+03 0.88816e-01
 | 
|---|
 | 343 |    0.13593e+03 0.22932e+00
 | 
|---|
 | 344 |    0.52411e+02 0.40025e+00
 | 
|---|
 | 345 |    0.20927e+02 0.33828e+00
 | 
|---|
 | 346 |    0.77130e+01 0.65512e-01
 | 
|---|
 | 347 |   })
 | 
|---|
 | 348 |   (type: [am=s]
 | 
|---|
 | 349 |    {exp coef:0} = {
 | 
|---|
 | 350 |    0.40948e+04 -0.21124e-05
 | 
|---|
 | 351 |    0.11596e+04 -0.69157e-04
 | 
|---|
 | 352 |    0.37800e+03 -0.48080e-03
 | 
|---|
 | 353 |    0.13593e+03 -0.41694e-02
 | 
|---|
 | 354 |    0.52411e+02 -0.17674e-01
 | 
|---|
 | 355 |    0.20927e+02 -0.42891e-01
 | 
|---|
 | 356 |    0.77130e+01 0.45368e-01
 | 
|---|
 | 357 |    0.31604e+01 0.13904e+00
 | 
|---|
 | 358 |   })
 | 
|---|
 | 359 |   (type: [am=s]
 | 
|---|
 | 360 |    {exp coef:0} = {
 | 
|---|
 | 361 |    0.40948e+04 0.39897e-05
 | 
|---|
 | 362 |    0.11596e+04 0.50203e-04
 | 
|---|
 | 363 |    0.37800e+03 0.57553e-03
 | 
|---|
 | 364 |    0.13593e+03 0.41524e-02
 | 
|---|
 | 365 |    0.52411e+02 0.20437e-01
 | 
|---|
 | 366 |    0.20927e+02 0.46998e-01
 | 
|---|
 | 367 |    0.77130e+01 -0.43986e-01
 | 
|---|
 | 368 |    0.31604e+01 -0.33957e+00
 | 
|---|
 | 369 |    0.12348e+01 -0.35038e+00
 | 
|---|
 | 370 |   })
 | 
|---|
 | 371 |   (type: [am=s]
 | 
|---|
 | 372 |    {exp coef:0} = {
 | 
|---|
 | 373 |    0.26775e+00 0.10000e+01
 | 
|---|
 | 374 |   })
 | 
|---|
 | 375 |   (type: [am=s]
 | 
|---|
 | 376 |    {exp coef:0} = {
 | 
|---|
 | 377 |    0.94067e-01 0.10000e+01
 | 
|---|
 | 378 |   })
 | 
|---|
 | 379 |   (type: [am=p]
 | 
|---|
 | 380 |    {exp coef:0} = {
 | 
|---|
 | 381 |    0.67713e+03 0.10925e-02
 | 
|---|
 | 382 |    0.16067e+03 0.89601e-02
 | 
|---|
 | 383 |    0.51585e+02 0.44744e-01
 | 
|---|
 | 384 |    0.18948e+02 0.14748e+00
 | 
|---|
 | 385 |    0.76163e+01 0.31480e+00
 | 
|---|
 | 386 |    0.31317e+01 0.41339e+00
 | 
|---|
 | 387 |    0.12703e+01 0.26440e+00
 | 
|---|
 | 388 |   })
 | 
|---|
 | 389 |   (type: [am=p]
 | 
|---|
 | 390 |    {exp coef:0} = {
 | 
|---|
 | 391 |    0.16067e+03 0.79014e-05
 | 
|---|
 | 392 |    0.51585e+02 -0.13613e-03
 | 
|---|
 | 393 |    0.18948e+02 -0.90378e-03
 | 
|---|
 | 394 |    0.76163e+01 -0.55863e-02
 | 
|---|
 | 395 |    0.31317e+01 -0.10141e-01
 | 
|---|
 | 396 |    0.12703e+01 0.18661e-01
 | 
|---|
 | 397 |    0.43332e+00 0.28890e+00
 | 
|---|
 | 398 |   })
 | 
|---|
 | 399 |   (type: [am=p]
 | 
|---|
 | 400 |    {exp coef:0} = {
 | 
|---|
 | 401 |    0.16088e+00 0.10000e+01
 | 
|---|
 | 402 |   })
 | 
|---|
 | 403 |   (type: [am=p]
 | 
|---|
 | 404 |    {exp coef:0} = {
 | 
|---|
 | 405 |    0.54883e-01 0.10000e+01
 | 
|---|
 | 406 |   })
 | 
|---|
 | 407 |   (type: [(am=d puream=1)]
 | 
|---|
 | 408 |    {exp coef:0} = {
 | 
|---|
 | 409 |    0.16800e+01 0.10000e+01
 | 
|---|
 | 410 |   })
 | 
|---|
 | 411 |   (type: [(am=d puream=1)]
 | 
|---|
 | 412 |    {exp coef:0} = {
 | 
|---|
 | 413 |    0.38000e+00 0.10000e+01
 | 
|---|
 | 414 |   })
 | 
|---|
 | 415 |   (type: [(am=f puream=1)]
 | 
|---|
 | 416 |    {exp coef:0} = {
 | 
|---|
 | 417 |    0.54000e+00 0.10000e+01
 | 
|---|
 | 418 |   })
 | 
|---|
 | 419 |   (type: [am=s]
 | 
|---|
 | 420 |    {exp coef:0} = {
 | 
|---|
 | 421 |    0.30878e-01 0.10000e+01
 | 
|---|
 | 422 |   })
 | 
|---|
 | 423 |   (type: [am=p]
 | 
|---|
 | 424 |    {exp coef:0} = {
 | 
|---|
 | 425 |    0.17527e-01 0.10000e+01
 | 
|---|
 | 426 |   })
 | 
|---|
 | 427 |   (type: [(am=d puream=1)]
 | 
|---|
 | 428 |    {exp coef:0} = {
 | 
|---|
 | 429 |    0.52580e-01 0.10000e+01
 | 
|---|
 | 430 |   })
 | 
|---|
 | 431 |   (type: [(am=f puream=1)]
 | 
|---|
 | 432 |    {exp coef:0} = {
 | 
|---|
 | 433 |    0.70107e-01 0.10000e+01
 | 
|---|
 | 434 |   })
 | 
|---|
 | 435 |  ]
 | 
|---|
 | 436 |  phosphorus: "pc-2-aug": [
 | 
|---|
 | 437 |   (type: [am=s]
 | 
|---|
 | 438 |    {exp coef:0} = {
 | 
|---|
 | 439 |    0.14568e+06 0.15016e-03
 | 
|---|
 | 440 |    0.21836e+05 0.11650e-02
 | 
|---|
 | 441 |    0.49699e+04 0.60798e-02
 | 
|---|
 | 442 |    0.14073e+04 0.24968e-01
 | 
|---|
 | 443 |    0.45878e+03 0.83637e-01
 | 
|---|
 | 444 |    0.16508e+03 0.21863e+00
 | 
|---|
 | 445 |    0.63744e+02 0.39234e+00
 | 
|---|
 | 446 |    0.25598e+02 0.35038e+00
 | 
|---|
 | 447 |    0.99307e+01 0.77287e-01
 | 
|---|
 | 448 |   })
 | 
|---|
 | 449 |   (type: [am=s]
 | 
|---|
 | 450 |    {exp coef:0} = {
 | 
|---|
 | 451 |    0.14073e+04 -0.87601e-04
 | 
|---|
 | 452 |    0.45878e+03 -0.52745e-03
 | 
|---|
 | 453 |    0.16508e+03 -0.49575e-02
 | 
|---|
 | 454 |    0.63744e+02 -0.20535e-01
 | 
|---|
 | 455 |    0.25598e+02 -0.55030e-01
 | 
|---|
 | 456 |    0.99307e+01 0.41583e-01
 | 
|---|
 | 457 |    0.39686e+01 0.17029e+00
 | 
|---|
 | 458 |   })
 | 
|---|
 | 459 |   (type: [am=s]
 | 
|---|
 | 460 |    {exp coef:0} = {
 | 
|---|
 | 461 |    0.14073e+04 0.30955e-04
 | 
|---|
 | 462 |    0.45878e+03 0.35776e-03
 | 
|---|
 | 463 |    0.16508e+03 0.26123e-02
 | 
|---|
 | 464 |    0.63744e+02 0.13204e-01
 | 
|---|
 | 465 |    0.25598e+02 0.32848e-01
 | 
|---|
 | 466 |    0.99307e+01 -0.18182e-01
 | 
|---|
 | 467 |    0.39686e+01 -0.25722e+00
 | 
|---|
 | 468 |    0.15565e+01 -0.30682e+00
 | 
|---|
 | 469 |   })
 | 
|---|
 | 470 |   (type: [am=s]
 | 
|---|
 | 471 |    {exp coef:0} = {
 | 
|---|
 | 472 |    0.35404e+00 0.10000e+01
 | 
|---|
 | 473 |   })
 | 
|---|
 | 474 |   (type: [am=s]
 | 
|---|
 | 475 |    {exp coef:0} = {
 | 
|---|
 | 476 |    0.12394e+00 0.10000e+01
 | 
|---|
 | 477 |   })
 | 
|---|
 | 478 |   (type: [am=p]
 | 
|---|
 | 479 |    {exp coef:0} = {
 | 
|---|
 | 480 |    0.82623e+03 0.10225e-02
 | 
|---|
 | 481 |    0.19602e+03 0.84472e-02
 | 
|---|
 | 482 |    0.62951e+02 0.42664e-01
 | 
|---|
 | 483 |    0.23222e+02 0.14239e+00
 | 
|---|
 | 484 |    0.93885e+01 0.31059e+00
 | 
|---|
 | 485 |    0.38997e+01 0.41672e+00
 | 
|---|
 | 486 |    0.16048e+01 0.26618e+00
 | 
|---|
 | 487 |   })
 | 
|---|
 | 488 |   (type: [am=p]
 | 
|---|
 | 489 |    {exp coef:0} = {
 | 
|---|
 | 490 |    0.19602e+03 0.41082e-05
 | 
|---|
 | 491 |    0.62951e+02 -0.15057e-03
 | 
|---|
 | 492 |    0.23222e+02 -0.11141e-02
 | 
|---|
 | 493 |    0.93885e+01 -0.64942e-02
 | 
|---|
 | 494 |    0.38997e+01 -0.12469e-01
 | 
|---|
 | 495 |    0.16048e+01 0.23458e-01
 | 
|---|
 | 496 |    0.56053e+00 0.32270e+00
 | 
|---|
 | 497 |   })
 | 
|---|
 | 498 |   (type: [am=p]
 | 
|---|
 | 499 |    {exp coef:0} = {
 | 
|---|
 | 500 |    0.21175e+00 0.10000e+01
 | 
|---|
 | 501 |   })
 | 
|---|
 | 502 |   (type: [am=p]
 | 
|---|
 | 503 |    {exp coef:0} = {
 | 
|---|
 | 504 |    0.73486e-01 0.10000e+01
 | 
|---|
 | 505 |   })
 | 
|---|
 | 506 |   (type: [(am=d puream=1)]
 | 
|---|
 | 507 |    {exp coef:0} = {
 | 
|---|
 | 508 |    0.18900e+01 0.10000e+01
 | 
|---|
 | 509 |   })
 | 
|---|
 | 510 |   (type: [(am=d puream=1)]
 | 
|---|
 | 511 |    {exp coef:0} = {
 | 
|---|
 | 512 |    0.43000e+00 0.10000e+01
 | 
|---|
 | 513 |   })
 | 
|---|
 | 514 |   (type: [(am=f puream=1)]
 | 
|---|
 | 515 |    {exp coef:0} = {
 | 
|---|
 | 516 |    0.60000e+00 0.10000e+01
 | 
|---|
 | 517 |   })
 | 
|---|
 | 518 |   (type: [am=s]
 | 
|---|
 | 519 |    {exp coef:0} = {
 | 
|---|
 | 520 |    0.40548e-01 0.10000e+01
 | 
|---|
 | 521 |   })
 | 
|---|
 | 522 |   (type: [am=p]
 | 
|---|
 | 523 |    {exp coef:0} = {
 | 
|---|
 | 524 |    0.23848e-01 0.10000e+01
 | 
|---|
 | 525 |   })
 | 
|---|
 | 526 |   (type: [(am=d puream=1)]
 | 
|---|
 | 527 |    {exp coef:0} = {
 | 
|---|
 | 528 |    0.71543e-01 0.10000e+01
 | 
|---|
 | 529 |   })
 | 
|---|
 | 530 |   (type: [(am=f puream=1)]
 | 
|---|
 | 531 |    {exp coef:0} = {
 | 
|---|
 | 532 |    0.95390e-01 0.10000e+01
 | 
|---|
 | 533 |   })
 | 
|---|
 | 534 |  ]
 | 
|---|
 | 535 |  sulfur: "pc-2-aug": [
 | 
|---|
 | 536 |   (type: [am=s]
 | 
|---|
 | 537 |    {exp coef:0} = {
 | 
|---|
 | 538 |    0.17203e+06 0.14353e-03
 | 
|---|
 | 539 |    0.25783e+05 0.11137e-02
 | 
|---|
 | 540 |    0.58682e+04 0.58143e-02
 | 
|---|
 | 541 |    0.16617e+04 0.23903e-01
 | 
|---|
 | 542 |    0.54175e+03 0.80354e-01
 | 
|---|
 | 543 |    0.19501e+03 0.21175e+00
 | 
|---|
 | 544 |    0.75396e+02 0.38664e+00
 | 
|---|
 | 545 |    0.30407e+02 0.35747e+00
 | 
|---|
 | 546 |    0.12121e+02 0.86131e-01
 | 
|---|
 | 547 |   })
 | 
|---|
 | 548 |   (type: [am=s]
 | 
|---|
 | 549 |    {exp coef:0} = {
 | 
|---|
 | 550 |    0.16617e+04 -0.90480e-04
 | 
|---|
 | 551 |    0.54175e+03 -0.50105e-03
 | 
|---|
 | 552 |    0.19501e+03 -0.49510e-02
 | 
|---|
 | 553 |    0.75396e+02 -0.20252e-01
 | 
|---|
 | 554 |    0.30407e+02 -0.57388e-01
 | 
|---|
 | 555 |    0.12121e+02 0.34847e-01
 | 
|---|
 | 556 |    0.47777e+01 0.16833e+00
 | 
|---|
 | 557 |   })
 | 
|---|
 | 558 |   (type: [am=s]
 | 
|---|
 | 559 |    {exp coef:0} = {
 | 
|---|
 | 560 |    0.16617e+04 0.28367e-04
 | 
|---|
 | 561 |    0.54175e+03 0.32591e-03
 | 
|---|
 | 562 |    0.19501e+03 0.24131e-02
 | 
|---|
 | 563 |    0.75396e+02 0.12352e-01
 | 
|---|
 | 564 |    0.30407e+02 0.32119e-01
 | 
|---|
 | 565 |    0.12121e+02 -0.11611e-01
 | 
|---|
 | 566 |    0.47777e+01 -0.25542e+00
 | 
|---|
 | 567 |    0.18906e+01 -0.31384e+00
 | 
|---|
 | 568 |   })
 | 
|---|
 | 569 |   (type: [am=s]
 | 
|---|
 | 570 |    {exp coef:0} = {
 | 
|---|
 | 571 |    0.44686e+00 0.10000e+01
 | 
|---|
 | 572 |   })
 | 
|---|
 | 573 |   (type: [am=s]
 | 
|---|
 | 574 |    {exp coef:0} = {
 | 
|---|
 | 575 |    0.15621e+00 0.10000e+01
 | 
|---|
 | 576 |   })
 | 
|---|
 | 577 |   (type: [am=p]
 | 
|---|
 | 578 |    {exp coef:0} = {
 | 
|---|
 | 579 |    0.96812e+03 0.10048e-02
 | 
|---|
 | 580 |    0.22970e+03 0.83313e-02
 | 
|---|
 | 581 |    0.73833e+02 0.42260e-01
 | 
|---|
 | 582 |    0.27312e+02 0.14206e+00
 | 
|---|
 | 583 |    0.11074e+02 0.31256e+00
 | 
|---|
 | 584 |    0.46307e+01 0.41933e+00
 | 
|---|
 | 585 |    0.19299e+01 0.25924e+00
 | 
|---|
 | 586 |   })
 | 
|---|
 | 587 |   (type: [am=p]
 | 
|---|
 | 588 |    {exp coef:0} = {
 | 
|---|
 | 589 |    0.22970e+03 -0.80693e-05
 | 
|---|
 | 590 |    0.73833e+02 -0.16943e-03
 | 
|---|
 | 591 |    0.27312e+02 -0.15243e-02
 | 
|---|
 | 592 |    0.11074e+02 -0.71993e-02
 | 
|---|
 | 593 |    0.46307e+01 -0.16113e-01
 | 
|---|
 | 594 |    0.19299e+01 0.34234e-01
 | 
|---|
 | 595 |    0.68783e+00 0.35518e+00
 | 
|---|
 | 596 |   })
 | 
|---|
 | 597 |   (type: [am=p]
 | 
|---|
 | 598 |    {exp coef:0} = {
 | 
|---|
 | 599 |    0.25663e+00 0.10000e+01
 | 
|---|
 | 600 |   })
 | 
|---|
 | 601 |   (type: [am=p]
 | 
|---|
 | 602 |    {exp coef:0} = {
 | 
|---|
 | 603 |    0.87251e-01 0.10000e+01
 | 
|---|
 | 604 |   })
 | 
|---|
 | 605 |   (type: [(am=d puream=1)]
 | 
|---|
 | 606 |    {exp coef:0} = {
 | 
|---|
 | 607 |    0.21000e+01 0.10000e+01
 | 
|---|
 | 608 |   })
 | 
|---|
 | 609 |   (type: [(am=d puream=1)]
 | 
|---|
 | 610 |    {exp coef:0} = {
 | 
|---|
 | 611 |    0.48000e+00 0.10000e+01
 | 
|---|
 | 612 |   })
 | 
|---|
 | 613 |   (type: [(am=f puream=1)]
 | 
|---|
 | 614 |    {exp coef:0} = {
 | 
|---|
 | 615 |    0.66000e+00 0.10000e+01
 | 
|---|
 | 616 |   })
 | 
|---|
 | 617 |   (type: [am=s]
 | 
|---|
 | 618 |    {exp coef:0} = {
 | 
|---|
 | 619 |    0.51037e-01 0.10000e+01
 | 
|---|
 | 620 |   })
 | 
|---|
 | 621 |   (type: [am=p]
 | 
|---|
 | 622 |    {exp coef:0} = {
 | 
|---|
 | 623 |    0.27776e-01 0.10000e+01
 | 
|---|
 | 624 |   })
 | 
|---|
 | 625 |   (type: [(am=d puream=1)]
 | 
|---|
 | 626 |    {exp coef:0} = {
 | 
|---|
 | 627 |    0.83327e-01 0.10000e+01
 | 
|---|
 | 628 |   })
 | 
|---|
 | 629 |   (type: [(am=f puream=1)]
 | 
|---|
 | 630 |    {exp coef:0} = {
 | 
|---|
 | 631 |    0.11110e+00 0.10000e+01
 | 
|---|
 | 632 |   })
 | 
|---|
 | 633 |  ]
 | 
|---|
 | 634 |  chlorine: "pc-2-aug": [
 | 
|---|
 | 635 |   (type: [am=s]
 | 
|---|
 | 636 |    {exp coef:0} = {
 | 
|---|
 | 637 |    0.20115e+06 0.13753e-03
 | 
|---|
 | 638 |    0.30146e+05 0.10671e-02
 | 
|---|
 | 639 |    0.68610e+04 0.55737e-02
 | 
|---|
 | 640 |    0.19428e+04 0.22935e-01
 | 
|---|
 | 641 |    0.63342e+03 0.77354e-01
 | 
|---|
 | 642 |    0.22810e+03 0.20534e+00
 | 
|---|
 | 643 |    0.88288e+02 0.38093e+00
 | 
|---|
 | 644 |    0.35750e+02 0.36361e+00
 | 
|---|
 | 645 |    0.14571e+02 0.95182e-01
 | 
|---|
 | 646 |   })
 | 
|---|
 | 647 |   (type: [am=s]
 | 
|---|
 | 648 |    {exp coef:0} = {
 | 
|---|
 | 649 |    0.19428e+04 -0.94653e-04
 | 
|---|
 | 650 |    0.63342e+03 -0.48337e-03
 | 
|---|
 | 651 |    0.22810e+03 -0.50009e-02
 | 
|---|
 | 652 |    0.88288e+02 -0.20230e-01
 | 
|---|
 | 653 |    0.35750e+02 -0.60209e-01
 | 
|---|
 | 654 |    0.14571e+02 0.29195e-01
 | 
|---|
 | 655 |    0.56580e+01 0.16993e+00
 | 
|---|
 | 656 |   })
 | 
|---|
 | 657 |   (type: [am=s]
 | 
|---|
 | 658 |    {exp coef:0} = {
 | 
|---|
 | 659 |    0.19428e+04 0.24868e-04
 | 
|---|
 | 660 |    0.63342e+03 0.28967e-03
 | 
|---|
 | 661 |    0.22810e+03 0.21513e-02
 | 
|---|
 | 662 |    0.88288e+02 0.11195e-01
 | 
|---|
 | 663 |    0.35750e+02 0.30180e-01
 | 
|---|
 | 664 |    0.14571e+02 -0.59456e-02
 | 
|---|
 | 665 |    0.56580e+01 -0.24702e+00
 | 
|---|
 | 666 |    0.22554e+01 -0.31412e+00
 | 
|---|
 | 667 |   })
 | 
|---|
 | 668 |   (type: [am=s]
 | 
|---|
 | 669 |    {exp coef:0} = {
 | 
|---|
 | 670 |    0.54947e+00 0.10000e+01
 | 
|---|
 | 671 |   })
 | 
|---|
 | 672 |   (type: [am=s]
 | 
|---|
 | 673 |    {exp coef:0} = {
 | 
|---|
 | 674 |    0.19126e+00 0.10000e+01
 | 
|---|
 | 675 |   })
 | 
|---|
 | 676 |   (type: [am=p]
 | 
|---|
 | 677 |    {exp coef:0} = {
 | 
|---|
 | 678 |    0.11299e+04 0.97621e-03
 | 
|---|
 | 679 |    0.26806e+03 0.81260e-02
 | 
|---|
 | 680 |    0.86222e+02 0.41433e-01
 | 
|---|
 | 681 |    0.31979e+02 0.14035e+00
 | 
|---|
 | 682 |    0.13008e+02 0.31207e+00
 | 
|---|
 | 683 |    0.54766e+01 0.42099e+00
 | 
|---|
 | 684 |    0.23090e+01 0.25664e+00
 | 
|---|
 | 685 |   })
 | 
|---|
 | 686 |   (type: [am=p]
 | 
|---|
 | 687 |    {exp coef:0} = {
 | 
|---|
 | 688 |    0.26806e+03 -0.11596e-04
 | 
|---|
 | 689 |    0.86222e+02 -0.18289e-03
 | 
|---|
 | 690 |    0.31979e+02 -0.17170e-02
 | 
|---|
 | 691 |    0.13008e+02 -0.78974e-02
 | 
|---|
 | 692 |    0.54766e+01 -0.18237e-01
 | 
|---|
 | 693 |    0.23090e+01 0.40035e-01
 | 
|---|
 | 694 |    0.84601e+00 0.36717e+00
 | 
|---|
 | 695 |   })
 | 
|---|
 | 696 |   (type: [am=p]
 | 
|---|
 | 697 |    {exp coef:0} = {
 | 
|---|
 | 698 |    0.31659e+00 0.10000e+01
 | 
|---|
 | 699 |   })
 | 
|---|
 | 700 |   (type: [am=p]
 | 
|---|
 | 701 |    {exp coef:0} = {
 | 
|---|
 | 702 |    0.10716e+00 0.10000e+01
 | 
|---|
 | 703 |   })
 | 
|---|
 | 704 |   (type: [(am=d puream=1)]
 | 
|---|
 | 705 |    {exp coef:0} = {
 | 
|---|
 | 706 |    0.23100e+01 0.10000e+01
 | 
|---|
 | 707 |   })
 | 
|---|
 | 708 |   (type: [(am=d puream=1)]
 | 
|---|
 | 709 |    {exp coef:0} = {
 | 
|---|
 | 710 |    0.52000e+00 0.10000e+01
 | 
|---|
 | 711 |   })
 | 
|---|
 | 712 |   (type: [(am=f puream=1)]
 | 
|---|
 | 713 |    {exp coef:0} = {
 | 
|---|
 | 714 |    0.72000e+00 0.10000e+01
 | 
|---|
 | 715 |   })
 | 
|---|
 | 716 |   (type: [am=s]
 | 
|---|
 | 717 |    {exp coef:0} = {
 | 
|---|
 | 718 |    0.62241e-01 0.10000e+01
 | 
|---|
 | 719 |   })
 | 
|---|
 | 720 |   (type: [am=p]
 | 
|---|
 | 721 |    {exp coef:0} = {
 | 
|---|
 | 722 |    0.33970e-01 0.10000e+01
 | 
|---|
 | 723 |   })
 | 
|---|
 | 724 |   (type: [(am=d puream=1)]
 | 
|---|
 | 725 |    {exp coef:0} = {
 | 
|---|
 | 726 |    0.10191e+00 0.10000e+01
 | 
|---|
 | 727 |   })
 | 
|---|
 | 728 |   (type: [(am=f puream=1)]
 | 
|---|
 | 729 |    {exp coef:0} = {
 | 
|---|
 | 730 |    0.13588e+00 0.10000e+01
 | 
|---|
 | 731 |   })
 | 
|---|
 | 732 |  ]
 | 
|---|
 | 733 | )
 | 
|---|
       
      
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