H2O Chem Phys Special Issue vol 258, pp 121-137 (2000) T=573K Case (a) g_OH(r) Bin no. r g(r) std. 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 2 0.7500000E-02 0.0000000E+00 0.0000000E+00 3 0.3000000E-01 0.0000000E+00 0.0000000E+00 4 0.5999999E-01 0.0000000E+00 0.0000000E+00 5 0.9000000E-01 0.0000000E+00 0.0000000E+00 6 0.1200000 0.0000000E+00 0.0000000E+00 7 0.1500000 0.0000000E+00 0.0000000E+00 8 0.1800000 0.0000000E+00 0.0000000E+00 9 0.2100000 0.0000000E+00 0.0000000E+00 10 0.2400000 0.0000000E+00 0.0000000E+00 11 0.2700000 0.0000000E+00 0.0000000E+00 12 0.3000000 0.0000000E+00 0.0000000E+00 13 0.3300000 0.0000000E+00 0.0000000E+00 14 0.3600000 0.0000000E+00 0.0000000E+00 15 0.3900000 0.0000000E+00 0.0000000E+00 16 0.4200000 0.0000000E+00 0.0000000E+00 17 0.4500000 0.0000000E+00 0.0000000E+00 18 0.4800000 0.0000000E+00 0.0000000E+00 19 0.5100000 0.0000000E+00 0.0000000E+00 20 0.5400000 0.0000000E+00 0.0000000E+00 21 0.5699999 0.0000000E+00 0.0000000E+00 22 0.5999999 0.0000000E+00 0.0000000E+00 23 0.6299999 0.2169668E-02 0.2334379E-01 24 0.6599998 0.1977502E-02 0.2127632E-01 25 0.6899998 0.3797795E-01 0.9417061E-01 26 0.7199998 0.1322543 0.1472817 27 0.7499998 0.3967066 0.2738130 28 0.7799997 1.189627 0.4106068 29 0.8099997 2.512848 0.6197242 30 0.8399997 4.712208 0.7218587 31 0.8699996 7.913433 1.137578 32 0.8999996 12.12517 0.9141459 33 0.9299996 15.84733 1.257230 34 0.9599996 16.90586 1.061609 35 0.9899995 16.19004 0.9082010 36 1.020000 14.59995 1.076737 37 1.049999 10.33152 0.7262107 38 1.079999 6.948244 0.6523496 39 1.109999 3.901661 0.5098311 40 1.139999 1.847833 0.3733947 41 1.169999 0.7638553 0.2327776 42 1.199999 0.3128144 0.1494922 43 1.229999 0.1206296 0.8468079E-01 44 1.259999 0.4161857E-01 0.5305276E-01 45 1.289999 0.1806169E-01 0.3430443E-01 46 1.319999 0.2367697E-01 0.3593165E-01 47 1.349999 0.3491243E-01 0.4483898E-01 48 1.379999 0.5390668E-01 0.5428536E-01 49 1.409999 0.8003823E-01 0.6396290E-01 50 1.439999 0.1117837 0.7349876E-01 51 1.469999 0.1528140 0.8745254E-01 52 1.499999 0.1975253 0.9813282E-01 53 1.529999 0.2585436 0.1092553 54 1.559999 0.3178535 0.1141571 55 1.589999 0.3630067 0.1198298 56 1.619999 0.4172344 0.1259888 57 1.649999 0.4603653 0.1303295 58 1.679999 0.4984666 0.1343215 59 1.709999 0.5351757 0.1360752 60 1.739999 0.5643633 0.1340812 61 1.769999 0.5754818 0.1338690 62 1.799999 0.5953264 0.1338413 63 1.829999 0.6045910 0.1343056 64 1.859999 0.6111318 0.1308551 65 1.889999 0.6103487 0.1291618 66 1.919999 0.6133859 0.1271682 67 1.949999 0.6100805 0.1277083 68 1.979999 0.6051474 0.1231217 69 2.009999 0.5991399 0.1188838 70 2.039999 0.5967193 0.1181605 71 2.069999 0.5963650 0.1194236 72 2.099998 0.5865707 0.1151718 73 2.129998 0.5797005 0.1098146 74 2.159998 0.5759677 0.1125054 75 2.189998 0.5697971 0.1054796 76 2.219998 0.5665621 0.1059503 77 2.249998 0.5614200 0.1039843 78 2.279998 0.5541900 0.1022458 79 2.309998 0.5482901 0.1003431 80 2.339998 0.5492555 0.1006797 81 2.369998 0.5450859 0.9943090E-01 82 2.399998 0.5428387 0.9685708E-01 83 2.429998 0.5468701 0.9515238E-01 84 2.459998 0.5449784 0.9564503E-01 85 2.489998 0.5510539 0.9448416E-01 86 2.519998 0.5633308 0.9489819E-01 87 2.549998 0.5710978 0.9397955E-01 88 2.579998 0.5843714 0.9472688E-01 89 2.609998 0.5975596 0.9710354E-01 90 2.639998 0.6170281 0.9479182E-01 91 2.669998 0.6367682 0.9588108E-01 92 2.699998 0.6578860 0.9718729E-01 93 2.729998 0.6837122 0.9916814E-01 94 2.759998 0.7111198 0.9818066E-01 95 2.789998 0.7401511 0.9922957E-01 96 2.819998 0.7712535 0.9930163E-01 97 2.849998 0.8055058 0.1015957 98 2.879998 0.8433505 0.1019389 99 2.909998 0.8829888 0.1036623 100 2.939998 0.9192186 0.1051918 101 2.969998 0.9569746 0.1064764 102 2.999998 1.003035 0.1077465 103 3.029998 1.042661 0.1090918 104 3.059998 1.076342 0.1066417 105 3.089998 1.120221 0.1078267 106 3.119998 1.160599 0.1086961 107 3.149997 1.201728 0.1085852 108 3.179997 1.231764 0.1126195 109 3.209997 1.261676 0.1098573 110 3.239997 1.291528 0.1118175 111 3.269997 1.315472 0.1123270 112 3.299997 1.335392 0.1080415 113 3.329997 1.351738 0.1111931 114 3.359997 1.363785 0.1121980 115 3.389997 1.371305 0.1096504 116 3.419997 1.383798 0.1104757 117 3.449997 1.379266 0.1090126 118 3.479997 1.371746 0.1051314 119 3.509997 1.368465 0.1062929 120 3.539997 1.359371 0.1056201 121 3.569997 1.348042 0.1007115 122 3.599997 1.333009 0.1032094 123 3.629997 1.321113 0.9830897E-01 124 3.659997 1.304613 0.9796217E-01 125 3.689997 1.290058 0.9481650E-01 126 3.719997 1.273268 0.9683246E-01 127 3.749997 1.256181 0.9404264E-01 128 3.779997 1.239699 0.9177610E-01 129 3.809997 1.225226 0.9085575E-01 130 3.839997 1.210662 0.9119821E-01 131 3.869997 1.195976 0.8921528E-01 132 3.899997 1.182980 0.8789741E-01 133 3.929997 1.171706 0.8707850E-01 134 3.959997 1.160605 0.8610726E-01 135 3.989997 1.148526 0.8488233E-01 136 4.019997 1.137506 0.8334390E-01 137 4.049997 1.123783 0.8284825E-01 138 4.079998 1.113360 0.8077624E-01 139 4.109998 1.100608 0.8059969E-01 140 4.139998 1.088605 0.8072974E-01 141 4.169998 1.075904 0.7933406E-01 142 4.199998 1.070428 0.7645072E-01 143 4.229999 1.059947 0.7625165E-01 144 4.259999 1.047740 0.7429260E-01 145 4.289999 1.034437 0.7567493E-01 146 4.319999 1.025349 0.7368114E-01 147 4.349999 1.019632 0.7317542E-01 148 4.380000 1.011052 0.7358967E-01 149 4.410000 1.000940 0.7382418E-01 150 4.440000 0.9917936 0.7141979E-01 151 4.470000 0.9860913 0.6961861E-01 152 4.500000 0.9803790 0.7067060E-01 153 4.530001 0.9794851 0.6993084E-01 154 4.560001 0.9736550 0.6982977E-01 155 4.590001 0.9682811 0.6684863E-01 156 4.620001 0.9675653 0.6678484E-01 157 4.650002 0.9668031 0.6731821E-01 158 4.680002 0.9623769 0.6677502E-01 159 4.710002 0.9610419 0.6353522E-01 160 4.740002 0.9579753 0.6610578E-01 161 4.770002 0.9599922 0.6503312E-01 162 4.800003 0.9567086 0.6545064E-01 163 4.830003 0.9588962 0.6401701E-01 164 4.860003 0.9582253 0.6325269E-01 165 4.890003 0.9571261 0.6198768E-01 166 4.920003 0.9593821 0.6133180E-01 167 4.950004 0.9583774 0.6316216E-01 168 4.980004 0.9570206 0.6101171E-01 169 5.010004 0.9594722 0.6132840E-01 170 5.040004 0.9601250 0.6106444E-01 171 5.070004 0.9572671 0.5975962E-01 172 5.100005 0.9587211 0.6116539E-01 173 5.130005 0.9569536 0.6175696E-01 174 5.160005 0.9591072 0.6063689E-01 175 5.190005 0.9571735 0.5858510E-01 176 5.220006 0.9570688 0.5962832E-01 177 5.250006 0.9576536 0.5989213E-01 178 5.280006 0.9587092 0.5783969E-01 179 5.310006 0.9585365 0.5782217E-01 180 5.340006 0.9594588 0.5682186E-01 181 5.370007 0.9632671 0.5757579E-01 182 5.400007 0.9644611 0.5714977E-01 183 5.430007 0.9691386 0.5740628E-01 184 5.460007 0.9716913 0.5687638E-01 185 5.490007 0.9752060 0.5635578E-01 186 5.520008 0.9782458 0.5618153E-01 187 5.550008 0.9822214 0.5673631E-01 188 5.580008 0.9855171 0.5658640E-01 189 5.610008 0.9902644 0.5564693E-01 190 5.640008 0.9951696 0.5582125E-01 191 5.670009 1.000660 0.5664168E-01 192 5.700009 1.002155 0.5520386E-01 193 5.730009 1.005406 0.5575500E-01 194 5.760009 1.008460 0.5543229E-01 195 5.790009 1.011803 0.5471583E-01 196 5.820010 1.015022 0.5484531E-01 197 5.850010 1.019660 0.5418382E-01 198 5.880010 1.020277 0.5514552E-01 199 5.910010 1.021317 0.5367319E-01 200 5.940011 1.022415 0.5399318E-01 201 5.970011 1.025328 0.5193371E-01 202 6.000011 1.024377 0.5366320E-01 203 6.030011 1.026504 0.5433103E-01 204 6.060011 1.029024 0.5225408E-01 205 6.090012 1.027152 0.5174399E-01 206 6.120012 1.028138 0.5246127E-01 207 6.150012 1.029753 0.5223354E-01 208 6.180012 1.029211 0.5043262E-01 209 6.210012 1.026474 0.5190501E-01 210 6.240013 1.026070 0.5110184E-01 211 6.270013 1.025176 0.5035811E-01 212 6.300013 1.024470 0.5012321E-01 213 6.330013 1.023464 0.5140885E-01 214 6.360013 1.022140 0.5084576E-01 215 6.390014 1.021718 0.5049168E-01 216 6.420014 1.021108 0.5007562E-01 217 6.450014 1.019319 0.4912265E-01 218 6.480014 1.020723 0.4962485E-01 219 6.510015 1.019994 0.4895978E-01 220 6.540015 1.017092 0.4840392E-01 221 6.570015 1.017309 0.4893177E-01 222 6.600015 1.013984 0.4699184E-01 223 6.630015 1.015866 0.4801943E-01 224 6.660016 1.014010 0.4764434E-01 225 6.690016 1.016307 0.4830160E-01 226 6.720016 1.012449 0.4648171E-01 227 6.750016 1.011600 0.4740102E-01 228 6.780016 1.011082 0.4685210E-01 229 6.810017 1.010386 0.4761681E-01 230 6.840017 1.010783 0.4675660E-01 231 6.870017 1.009475 0.4561185E-01 232 6.900017 1.007492 0.4642782E-01 233 6.930017 1.007684 0.4529976E-01 234 6.960018 1.005660 0.4598277E-01 235 6.990018 1.007547 0.4588415E-01 236 7.020018 1.005084 0.4447918E-01 237 7.050018 1.003459 0.4463168E-01 238 7.080019 1.004097 0.4406992E-01 239 7.110019 1.003966 0.4431808E-01 240 7.140019 1.001555 0.4399141E-01 241 7.170019 1.001819 0.4390596E-01 242 7.200019 1.001981 0.4333066E-01 243 7.230020 1.001033 0.4304082E-01 244 7.260020 1.000828 0.4402256E-01 245 7.290020 0.9981434 0.4330383E-01 246 7.320020 0.9979698 0.4321703E-01 247 7.350020 0.9999833 0.4336092E-01 248 7.380021 0.9985631 0.4223280E-01 249 7.410021 0.9966779 0.4257647E-01 250 7.440021 0.9990165 0.4178587E-01 251 7.470021 0.9986748 0.4276993E-01 252 7.500021 0.9979752 0.4210417E-01 253 7.530022 0.9982648 0.4190907E-01 254 7.560022 0.9960658 0.4215440E-01 255 7.590022 0.9975573 0.4061329E-01 256 7.620022 0.9977567 0.4102580E-01 257 7.650023 0.9964769 0.4120122E-01 258 7.680023 0.9977162 0.4050233E-01 259 7.710023 0.9985614 0.4124315E-01 260 7.740023 0.9977390 0.4159357E-01 261 7.770023 0.9954532 0.4081824E-01 262 7.800024 0.9964508 0.4019507E-01 263 7.830024 0.9954416 0.4092761E-01 264 7.860024 0.9963199 0.3996903E-01 265 7.890024 0.9955361 0.3971096E-01 266 7.920024 0.9972029 0.4003236E-01 267 7.950025 0.9959012 0.4011937E-01 268 7.980025 0.9951315 0.3902739E-01 269 8.010024 0.9971350 0.3946781E-01 270 8.040024 0.9960470 0.3961704E-01 271 8.070024 0.9954755 0.3965162E-01 272 8.100023 0.9972902 0.3899301E-01 273 8.130023 0.9980261 0.3894100E-01 274 8.160023 0.9960253 0.3765310E-01 275 8.190022 0.9968293 0.3824134E-01 276 8.220022 0.9959531 0.3879071E-01 277 8.250022 0.9975982 0.3936876E-01 278 8.280022 0.9982044 0.3726645E-01 279 8.310021 0.9978659 0.3807655E-01 280 8.340021 0.9966509 0.3774165E-01 281 8.370021 0.9962869 0.3756673E-01 282 8.400021 0.9974675 0.3708769E-01 283 8.430020 0.9968041 0.3678430E-01 284 8.460020 0.9994692 0.3783392E-01 285 8.490020 0.9978410 0.3735671E-01 286 8.520020 0.9974608 0.3685715E-01 287 8.550019 0.9995854 0.3712945E-01 288 8.580019 0.9999270 0.3629576E-01 289 8.610019 0.9984860 0.3664143E-01 290 8.640018 1.000202 0.3603370E-01 291 8.670018 1.000262 0.3595587E-01 292 8.700018 0.9985479 0.3642280E-01 293 8.730018 0.9990056 0.3555412E-01 294 8.760017 0.9999713 0.3635646E-01 295 8.790017 1.000313 0.3565791E-01 296 8.820017 1.000365 0.3460602E-01 297 8.850017 0.9997499 0.3598321E-01 298 8.880016 1.001044 0.3491126E-01 299 8.910016 1.000406 0.3509516E-01 300 8.940016 1.000432 0.3454568E-01 301 8.970016 1.000264 0.3560103E-01 302 9.000015 0.9999244 0.3570468E-01 303 9.030015 0.9999993 0.3442123E-01 304 9.060015 1.000580 0.3407839E-01 305 9.090014 1.000232 0.3399609E-01 306 9.120014 1.002181 0.3454913E-01 307 9.150014 1.000303 0.3435363E-01 308 9.180014 0.9996490 0.3371970E-01 309 9.210013 0.9997922 0.3471178E-01 310 9.240013 1.001728 0.3410986E-01 311 9.270013 1.000276 0.3480867E-01 312 9.300013 0.9990461 0.3413781E-01 313 9.330012 0.9997219 0.3433194E-01 314 9.360012 1.000527 0.3343568E-01 315 9.390012 0.9992398 0.3332944E-01 316 9.420012 0.9997361 0.3410374E-01 317 9.450011 1.000833 0.3345350E-01 318 9.480011 0.9994952 0.3284213E-01 319 9.510011 0.9995400 0.3336787E-01 320 9.540010 0.9989253 0.3308804E-01 321 9.570010 0.9983903 0.3288022E-01 322 9.600010 0.9984584 0.3314114E-01 323 9.630010 1.000980 0.3285302E-01 324 9.660009 0.9991711 0.3253397E-01 325 9.690009 0.9994892 0.3240731E-01 326 9.720009 0.9986306 0.3179082E-01 327 9.750009 0.9976708 0.3250189E-01 328 9.780008 0.9978924 0.3215806E-01 329 9.810008 0.9987670 0.3184983E-01 330 9.840008 0.9988587 0.3226908E-01 331 9.870008 0.9986197 0.3131669E-01 332 9.900007 0.9980947 0.3211261E-01 333 9.930007 0.9983518 0.3138038E-01 334 9.960007 0.9994029 0.3134712E-01 335 9.990006 0.9981521 0.3215620E-01 336 10.02001 0.9987590 0.3145437E-01 337 10.05001 0.9983394 0.3187321E-01 338 10.08001 0.9994783 0.3099625E-01 339 10.11001 0.9979837 0.3109895E-01 340 10.14001 0.9976959 0.3039330E-01 341 10.17000 0.9981290 0.3072294E-01 342 10.20000 0.9977707 0.3063843E-01 343 10.23000 0.9991025 0.3035994E-01 344 10.26000 0.9993023 0.3095969E-01 345 10.29000 1.000953 0.3056149E-01 346 10.32000 0.9983661 0.3033343E-01 347 10.35000 0.9989933 0.3113152E-01 348 10.38000 0.9994091 0.2988106E-01 349 10.41000 0.9997531 0.3001540E-01 350 10.44000 0.9985740 0.3070159E-01 351 10.47000 0.9999582 0.3048142E-01 352 10.50000 0.9987055 0.2940957E-01 353 10.53000 1.000268 0.3023009E-01 354 10.56000 0.9989254 0.3071906E-01 355 10.59000 1.000041 0.3003823E-01 356 10.62000 1.000608 0.2998063E-01 357 10.65000 0.9990508 0.2954303E-01 358 10.68000 0.9988800 0.3003029E-01 359 10.71000 0.9991807 0.2922252E-01 360 10.74000 0.9994004 0.2960450E-01 361 10.77000 0.9993928 0.2985711E-01 362 10.80000 0.9992085 0.2946829E-01 363 10.83000 0.9985203 0.2917455E-01 364 10.86000 0.9996259 0.2967288E-01 365 10.89000 0.9995336 0.2924087E-01 366 10.92000 0.9997644 0.2885304E-01 367 10.95000 0.9996074 0.2903221E-01 368 10.98000 1.000345 0.2866964E-01 369 11.01000 1.000230 0.2832663E-01 370 11.04000 0.9997207 0.2782882E-01 371 11.07000 1.000543 0.2762783E-01 372 11.10000 0.9989685 0.2761381E-01 373 11.13000 1.000576 0.2841277E-01 374 11.16000 1.001971 0.2786200E-01 375 11.19000 1.000130 0.2830768E-01 376 11.22000 0.9998689 0.2867379E-01 377 11.25000 1.000162 0.2893865E-01 378 11.27999 0.9996861 0.2748724E-01 379 11.30999 1.000082 0.2758897E-01 380 11.33999 1.000922 0.2738514E-01 381 11.36999 0.9997895 0.2725970E-01 382 11.39999 0.9997792 0.2768494E-01 383 11.42999 0.9995159 0.2843164E-01 384 11.45999 0.9996700 0.2744601E-01 385 11.48999 1.000559 0.2688652E-01 386 11.51999 1.000522 0.2712929E-01 387 11.54999 1.000102 0.2659901E-01 388 11.57999 0.9994436 0.2683771E-01 389 11.60999 1.000901 0.2789193E-01 390 11.63999 1.000225 0.2719731E-01 391 11.66999 1.000939 0.2651147E-01 392 11.69999 0.9990737 0.2665273E-01 393 11.72999 1.000682 0.2676432E-01 394 11.75999 1.000466 0.2716442E-01 395 11.78999 0.9987119 0.2663819E-01 396 11.81999 1.000263 0.2613787E-01 397 11.84999 1.000257 0.2663260E-01 398 11.87999 1.000431 0.2630381E-01 399 11.90999 1.000056 0.2653619E-01 400 11.93999 0.9997551 0.2707100E-01 401 11.96999 0.9985796 0.2589502E-01 402 11.99999 0.9993587 0.2646083E-01 403 12.02999 0.9993958 0.2622211E-01 404 12.05999 0.9988748 0.2614585E-01 405 12.08999 0.9986559 0.2623348E-01 406 12.11999 0.9988832 0.2570674E-01 407 12.14999 0.9985305 0.2611848E-01 408 12.17999 0.9985102 0.2675429E-01 409 12.20999 0.9991271 0.2599610E-01 410 12.23999 0.9992713 0.2612533E-01 411 12.26999 0.9997258 0.2545042E-01 412 12.29999 0.9996080 0.2569515E-01 413 12.32999 0.9989912 0.2551007E-01 414 12.35999 0.9996554 0.2551357E-01 415 12.38999 0.9990829 0.2544456E-01 416 12.41998 0.9995669 0.2565336E-01 417 12.44998 0.9993986 0.2546446E-01 418 12.47998 0.9994177 0.2554392E-01 419 12.50998 0.9995463 0.2552058E-01 420 12.53998 0.9988465 0.2487241E-01 421 12.56998 0.9987766 0.2477516E-01 422 12.59998 0.9985322 0.2528005E-01 423 12.62998 0.9994659 0.2519976E-01 424 12.65998 0.9988891 0.2477155E-01 425 12.68998 0.9993800 0.2470047E-01 426 12.71998 0.9986531 0.2445066E-01 427 12.74998 0.9998642 0.2454069E-01 428 12.77998 0.9984621 0.2424871E-01 429 12.80998 0.9992959 0.2501697E-01 430 12.83998 0.9977763 0.2406489E-01 431 12.86998 0.9990502 0.2442627E-01 432 12.89998 0.9995507 0.2472338E-01 433 12.92998 0.9984503 0.2457345E-01 434 12.95998 0.9983746 0.2460497E-01 435 12.98998 0.9999812 0.2404258E-01 436 13.01998 0.9987763 0.2430885E-01 437 13.04998 0.9981992 0.2463886E-01 438 13.07998 0.9981584 0.2436152E-01 439 13.10998 0.9989038 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