H2O Chem Phys Special Issue vol 258, pp 121-137 (2000) T=673K 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 0.5370376E-02 0.4068036E-01 24 0.6599998 0.2446224E-02 0.2631935E-01 25 0.6899998 0.3133539E-01 0.1090291 26 0.7199998 0.1239137 0.1654031 27 0.7499998 0.5060779 0.3740958 28 0.7799997 1.377575 0.5185595 29 0.8099997 3.004253 0.5867532 30 0.8399997 5.621928 0.9998846 31 0.8699996 10.58484 1.371027 32 0.8999996 14.78876 1.156817 33 0.9299996 17.98763 1.255943 34 0.9599996 21.36033 1.543102 35 0.9899995 21.55909 1.383761 36 1.020000 17.38921 1.311500 37 1.049999 12.63965 0.9838943 38 1.079999 8.441820 0.7993175 39 1.109999 4.938324 0.6764188 40 1.139999 2.431565 0.4286436 41 1.169999 1.012053 0.3132584 42 1.199999 0.3792415 0.1618771 43 1.229999 0.1360228 0.1191243 44 1.259999 0.5139352E-01 0.5812136E-01 45 1.289999 0.2381082E-01 0.4358226E-01 46 1.319999 0.9920939E-02 0.2631019E-01 47 1.349999 0.1438509E-01 0.3132595E-01 48 1.379999 0.2417525E-01 0.4013929E-01 49 1.409999 0.3214169E-01 0.4461985E-01 50 1.439999 0.4274985E-01 0.4948832E-01 51 1.469999 0.5698280E-01 0.5945219E-01 52 1.499999 0.8392214E-01 0.6756315E-01 53 1.529999 0.1042645 0.7306589E-01 54 1.559999 0.1271197 0.8231387E-01 55 1.589999 0.1662608 0.9166615E-01 56 1.619999 0.1973579 0.9679131E-01 57 1.649999 0.2211797 0.1018496 58 1.679999 0.2533381 0.1044800 59 1.709999 0.2861418 0.1105542 60 1.739999 0.3107935 0.1152933 61 1.769999 0.3394334 0.1174959 62 1.799999 0.3598128 0.1188286 63 1.829999 0.3835497 0.1201850 64 1.859999 0.4023161 0.1194921 65 1.889999 0.4189042 0.1208285 66 1.919999 0.4260423 0.1215271 67 1.949999 0.4329961 0.1158342 68 1.979999 0.4359960 0.1164132 69 2.009999 0.4441186 0.1157220 70 2.039999 0.4460317 0.1122915 71 2.069999 0.4478133 0.1102611 72 2.099998 0.4542924 0.1128574 73 2.129998 0.4423759 0.1094361 74 2.159998 0.4462813 0.1098269 75 2.189998 0.4471186 0.1081993 76 2.219998 0.4433812 0.1058591 77 2.249998 0.4479188 0.1058738 78 2.279998 0.4402852 0.1063875 79 2.309998 0.4439357 0.1001567 80 2.339998 0.4458101 0.9928633E-01 81 2.369998 0.4548206 0.1016240 82 2.399998 0.4558008 0.9767517E-01 83 2.429998 0.4585306 0.9957990E-01 84 2.459998 0.4692151 0.9788395E-01 85 2.489998 0.4779450 0.9707139E-01 86 2.519998 0.4844049 0.9766251E-01 87 2.549998 0.4979445 0.9820342E-01 88 2.579998 0.5160182 0.9751821E-01 89 2.609998 0.5298041 0.9786431E-01 90 2.639998 0.5472407 0.9975856E-01 91 2.669998 0.5684462 0.9845105E-01 92 2.699998 0.5887077 0.9991006E-01 93 2.729998 0.6194484 0.1012825 94 2.759998 0.6449549 0.1018545 95 2.789998 0.6739703 0.1029598 96 2.819998 0.7030962 0.1048393 97 2.849998 0.7393297 0.1073911 98 2.879998 0.7779024 0.1084691 99 2.909998 0.8151559 0.1095653 100 2.939998 0.8533996 0.1135204 101 2.969998 0.8897287 0.1147765 102 2.999998 0.9403975 0.1134697 103 3.029998 0.9787113 0.1174527 104 3.059998 1.023056 0.1187829 105 3.089998 1.055823 0.1194190 106 3.119998 1.101176 0.1192271 107 3.149997 1.134604 0.1207768 108 3.179997 1.169907 0.1217006 109 3.209997 1.203387 0.1229776 110 3.239997 1.232078 0.1238079 111 3.269997 1.253712 0.1214501 112 3.299997 1.274110 0.1226568 113 3.329997 1.293345 0.1209066 114 3.359997 1.304738 0.1217843 115 3.389997 1.307237 0.1209381 116 3.419997 1.301097 0.1190460 117 3.449997 1.303619 0.1178226 118 3.479997 1.294667 0.1144767 119 3.509997 1.279523 0.1127718 120 3.539997 1.267738 0.1111867 121 3.569997 1.254150 0.1084166 122 3.599997 1.235217 0.1067618 123 3.629997 1.213334 0.1072175 124 3.659997 1.194576 0.1032008 125 3.689997 1.179257 0.1027197 126 3.719997 1.161365 0.1013387 127 3.749997 1.138692 0.9789400E-01 128 3.779997 1.127003 0.9722316E-01 129 3.809997 1.110316 0.9731202E-01 130 3.839997 1.093596 0.9433563E-01 131 3.869997 1.075331 0.9265129E-01 132 3.899997 1.063955 0.9283702E-01 133 3.929997 1.055781 0.9469510E-01 134 3.959997 1.044001 0.8945147E-01 135 3.989997 1.033083 0.8836541E-01 136 4.019997 1.028782 0.8907955E-01 137 4.049997 1.018265 0.8846182E-01 138 4.079998 1.013937 0.8496024E-01 139 4.109998 1.010507 0.8709560E-01 140 4.139998 1.000282 0.8434767E-01 141 4.169998 0.9965038 0.8295466E-01 142 4.199998 0.9900017 0.8296364E-01 143 4.229999 0.9863052 0.8301032E-01 144 4.259999 0.9824520 0.8252314E-01 145 4.289999 0.9764889 0.8203489E-01 146 4.319999 0.9753883 0.8039866E-01 147 4.349999 0.9694851 0.7980599E-01 148 4.380000 0.9689246 0.7962953E-01 149 4.410000 0.9614331 0.7850441E-01 150 4.440000 0.9622219 0.7778207E-01 151 4.470000 0.9622673 0.7680037E-01 152 4.500000 0.9540252 0.7621412E-01 153 4.530001 0.9545078 0.7595089E-01 154 4.560001 0.9546906 0.7720675E-01 155 4.590001 0.9514028 0.7470823E-01 156 4.620001 0.9499249 0.7277439E-01 157 4.650002 0.9523439 0.7334790E-01 158 4.680002 0.9536256 0.7227758E-01 159 4.710002 0.9503794 0.7291716E-01 160 4.740002 0.9548551 0.7269572E-01 161 4.770002 0.9550523 0.7286810E-01 162 4.800003 0.9592521 0.7252292E-01 163 4.830003 0.9594076 0.7073762E-01 164 4.860003 0.9652369 0.7195276E-01 165 4.890003 0.9662783 0.7042262E-01 166 4.920003 0.9679077 0.6987499E-01 167 4.950004 0.9709325 0.7086011E-01 168 4.980004 0.9749159 0.6929810E-01 169 5.010004 0.9788677 0.6935184E-01 170 5.040004 0.9814771 0.7034979E-01 171 5.070004 0.9845532 0.6877749E-01 172 5.100005 0.9900360 0.6942786E-01 173 5.130005 0.9916170 0.6795096E-01 174 5.160005 0.9922082 0.6754405E-01 175 5.190005 0.9924860 0.6816072E-01 176 5.220006 0.9983672 0.6760579E-01 177 5.250006 0.9996886 0.6556074E-01 178 5.280006 0.9994975 0.6558982E-01 179 5.310006 1.002992 0.6765559E-01 180 5.340006 1.003194 0.6529199E-01 181 5.370007 1.003869 0.6639997E-01 182 5.400007 1.009237 0.6552163E-01 183 5.430007 1.005021 0.6384639E-01 184 5.460007 1.004123 0.6285377E-01 185 5.490007 1.005754 0.6436614E-01 186 5.520008 1.006990 0.6393688E-01 187 5.550008 1.006360 0.6385106E-01 188 5.580008 1.008030 0.6354976E-01 189 5.610008 1.008385 0.6238928E-01 190 5.640008 1.007752 0.6258006E-01 191 5.670009 1.007665 0.6306300E-01 192 5.700009 1.005254 0.6174779E-01 193 5.730009 1.009051 0.6142066E-01 194 5.760009 1.010890 0.6240456E-01 195 5.790009 1.011505 0.6183075E-01 196 5.820010 1.011336 0.6017262E-01 197 5.850010 1.011974 0.6112298E-01 198 5.880010 1.014264 0.6023796E-01 199 5.910010 1.014130 0.5954930E-01 200 5.940011 1.014117 0.5886777E-01 201 5.970011 1.017166 0.5876338E-01 202 6.000011 1.017714 0.5979003E-01 203 6.030011 1.016930 0.5856119E-01 204 6.060011 1.018970 0.5845116E-01 205 6.090012 1.018992 0.5819464E-01 206 6.120012 1.022723 0.5803054E-01 207 6.150012 1.021667 0.5773397E-01 208 6.180012 1.021271 0.5694080E-01 209 6.210012 1.020457 0.5720814E-01 210 6.240013 1.021622 0.5699416E-01 211 6.270013 1.020302 0.5714664E-01 212 6.300013 1.023122 0.5651842E-01 213 6.330013 1.020681 0.5561586E-01 214 6.360013 1.019911 0.5563514E-01 215 6.390014 1.018814 0.5523948E-01 216 6.420014 1.018383 0.5574645E-01 217 6.450014 1.018822 0.5486704E-01 218 6.480014 1.016283 0.5482901E-01 219 6.510015 1.015276 0.5460024E-01 220 6.540015 1.012529 0.5309259E-01 221 6.570015 1.011173 0.5352418E-01 222 6.600015 1.009412 0.5268236E-01 223 6.630015 1.007325 0.5212845E-01 224 6.660016 1.006138 0.5312401E-01 225 6.690016 1.004971 0.5273664E-01 226 6.720016 1.005193 0.5126255E-01 227 6.750016 1.000569 0.5152929E-01 228 6.780016 1.001013 0.5170366E-01 229 6.810017 0.9995264 0.5166676E-01 230 6.840017 1.000207 0.5052826E-01 231 6.870017 0.9973342 0.5085807E-01 232 6.900017 0.9983639 0.5065021E-01 233 6.930017 0.9966791 0.5066315E-01 234 6.960018 0.9968989 0.5118983E-01 235 6.990018 0.9962471 0.5038769E-01 236 7.020018 0.9980831 0.4878660E-01 237 7.050018 0.9964538 0.5025266E-01 238 7.080019 0.9979766 0.4982443E-01 239 7.110019 0.9965481 0.5039065E-01 240 7.140019 0.9993796 0.4944436E-01 241 7.170019 0.9985891 0.4900238E-01 242 7.200019 0.9972146 0.4764622E-01 243 7.230020 0.9985226 0.4891411E-01 244 7.260020 0.9995130 0.4787273E-01 245 7.290020 0.9987111 0.4845500E-01 246 7.320020 0.9982735 0.4799460E-01 247 7.350020 1.000214 0.4699184E-01 248 7.380021 0.9989537 0.4841500E-01 249 7.410021 0.9994075 0.4735951E-01 250 7.440021 0.9998621 0.4596462E-01 251 7.470021 1.002913 0.4771310E-01 252 7.500021 1.002144 0.4741988E-01 253 7.530022 1.002151 0.4670047E-01 254 7.560022 1.002038 0.4644451E-01 255 7.590022 1.002393 0.4643295E-01 256 7.620022 0.9997522 0.4589519E-01 257 7.650023 0.9990543 0.4619551E-01 258 7.680023 1.000160 0.4495503E-01 259 7.710023 0.9986295 0.4481228E-01 260 7.740023 0.9990212 0.4583476E-01 261 7.770023 0.9983491 0.4535040E-01 262 7.800024 0.9983255 0.4432480E-01 263 7.830024 0.9978852 0.4549212E-01 264 7.860024 0.9962396 0.4517063E-01 265 7.890024 0.9961448 0.4377204E-01 266 7.920024 0.9947357 0.4473906E-01 267 7.950025 0.9919130 0.4419620E-01 268 7.980025 0.9938963 0.4368685E-01 269 8.010024 0.9955794 0.4367935E-01 270 8.040024 0.9928890 0.4409358E-01 271 8.070024 0.9927964 0.4193040E-01 272 8.100023 0.9925104 0.4286806E-01 273 8.130023 0.9940984 0.4336435E-01 274 8.160023 0.9914102 0.4259117E-01 275 8.190022 0.9924092 0.4242782E-01 276 8.220022 0.9909475 0.4222504E-01 277 8.250022 0.9916782 0.4201489E-01 278 8.280022 0.9908686 0.4237932E-01 279 8.310021 0.9911880 0.4216005E-01 280 8.340021 0.9912552 0.4170305E-01 281 8.370021 0.9924806 0.4163653E-01 282 8.400021 0.9926524 0.4180369E-01 283 8.430020 0.9924702 0.4132472E-01 284 8.460020 0.9942611 0.4235611E-01 285 8.490020 0.9956571 0.4163653E-01 286 8.520020 0.9966997 0.4087296E-01 287 8.550019 0.9970081 0.4082919E-01 288 8.580019 0.9988753 0.4065070E-01 289 8.610019 0.9989569 0.3992577E-01 290 8.640018 1.000549 0.4034308E-01 291 8.670018 1.001421 0.4006287E-01 292 8.700018 1.000677 0.4054646E-01 293 8.730018 1.002816 0.3943910E-01 294 8.760017 1.002745 0.4009559E-01 295 8.790017 1.003127 0.3998991E-01 296 8.820017 1.005252 0.4100981E-01 297 8.850017 1.004779 0.3947536E-01 298 8.880016 1.004989 0.4006882E-01 299 8.910016 1.006803 0.3924973E-01 300 8.940016 1.006142 0.3949800E-01 301 8.970016 1.007415 0.3877918E-01 302 9.000015 1.006519 0.3924973E-01 303 9.030015 1.007675 0.3883755E-01 304 9.060015 1.006339 0.3908843E-01 305 9.090014 1.008269 0.3756276E-01 306 9.120014 1.007751 0.3842404E-01 307 9.150014 1.006305 0.3804836E-01 308 9.180014 1.006068 0.3900753E-01 309 9.210013 1.007765 0.3844886E-01 310 9.240013 1.007877 0.3754054E-01 311 9.270013 1.006895 0.3798251E-01 312 9.300013 1.005731 0.3882834E-01 313 9.330012 1.007388 0.3781107E-01 314 9.360012 1.006456 0.3699677E-01 315 9.390012 1.005556 0.3716395E-01 316 9.420012 1.006595 0.3829352E-01 317 9.450011 1.003989 0.3725045E-01 318 9.480011 1.005844 0.3739418E-01 319 9.510011 1.005991 0.3694034E-01 320 9.540010 1.003920 0.3718479E-01 321 9.570010 1.003100 0.3705633E-01 322 9.600010 1.005617 0.3628426E-01 323 9.630010 1.004743 0.3612291E-01 324 9.660009 1.006898 0.3699516E-01 325 9.690009 1.005127 0.3594095E-01 326 9.720009 1.005330 0.3539113E-01 327 9.750009 1.003481 0.3642853E-01 328 9.780008 1.005655 0.3571136E-01 329 9.810008 1.005975 0.3596416E-01 330 9.840008 1.005271 0.3584796E-01 331 9.870008 1.006140 0.3558931E-01 332 9.900007 1.005267 0.3549707E-01 333 9.930007 1.005276 0.3490955E-01 334 9.960007 1.005338 0.3545675E-01 335 9.990006 1.005195 0.3567462E-01 336 10.02001 1.006192 0.3458190E-01 337 10.05001 1.005064 0.3463184E-01 338 10.08001 1.007217 0.3523584E-01 339 10.11001 1.006465 0.3483263E-01 340 10.14001 1.007464 0.3508157E-01 341 10.17000 1.005210 0.3551050E-01 342 10.20000 1.005074 0.3420758E-01 343 10.23000 1.005417 0.3484118E-01 344 10.26000 1.005347 0.3398908E-01 345 10.29000 1.005904 0.3395047E-01 346 10.32000 1.004035 0.3418317E-01 347 10.35000 1.004528 0.3362057E-01 348 10.38000 1.003246 0.3484632E-01 349 10.41000 1.005618 0.3471608E-01 350 10.44000 1.005290 0.3389952E-01 351 10.47000 1.004589 0.3321210E-01 352 10.50000 1.003922 0.3337144E-01 353 10.53000 1.000954 0.3272760E-01 354 10.56000 1.003651 0.3328381E-01 355 10.59000 1.003110 0.3384849E-01 356 10.62000 1.001968 0.3340179E-01 357 10.65000 1.001472 0.3248447E-01 358 10.68000 1.002710 0.3259620E-01 359 10.71000 1.001460 0.3254863E-01 360 10.74000 1.000620 0.3255229E-01 361 10.77000 1.000433 0.3254130E-01 362 10.80000 1.001700 0.3172889E-01 363 10.83000 1.000895 0.3215806E-01 364 10.86000 0.9998428 0.3286934E-01 365 10.89000 1.000039 0.3216917E-01 366 10.92000 0.9983380 0.3187415E-01 367 10.95000 0.9996018 0.3184421E-01 368 10.98000 0.9991720 0.3150360E-01 369 11.01000 0.9989119 0.3121374E-01 370 11.04000 0.9981162 0.3196098E-01 371 11.07000 0.9983218 0.3156314E-01 372 11.10000 0.9986663 0.3099240E-01 373 11.13000 0.9967790 0.3180301E-01 374 11.16000 0.9977480 0.3172231E-01 375 11.19000 0.9987183 0.3157353E-01 376 11.22000 0.9979705 0.3135188E-01 377 11.25000 0.9976326 0.3072585E-01 378 11.27999 0.9989083 0.3076947E-01 379 11.30999 0.9984155 0.3101451E-01 380 11.33999 0.9984964 0.3011551E-01 381 11.36999 0.9974263 0.3094043E-01 382 11.39999 0.9980173 0.3038055E-01 383 11.42999 0.9995534 0.3093658E-01 384 11.45999 0.9982526 0.3080528E-01 385 11.48999 0.9987516 0.3087390E-01 386 11.51999 0.9982632 0.3070645E-01 387 11.54999 0.9990484 0.3076753E-01 388 11.57999 0.9989581 0.2916024E-01 389 11.60999 0.9984996 0.2985911E-01 390 11.63999 0.9980202 0.3044719E-01 391 11.66999 0.9995980 0.3004716E-01 392 11.69999 1.000156 0.2921334E-01 393 11.72999 0.9994565 0.2996870E-01 394 11.75999 0.9994268 0.2956824E-01 395 11.78999 0.9996566 0.3042270E-01 396 11.81999 1.000709 0.2950366E-01 397 11.84999 1.000988 0.2953597E-01 398 11.87999 1.000812 0.2947335E-01 399 11.90999 0.9998041 0.2960148E-01 400 11.93999 1.000054 0.2917046E-01 401 11.96999 1.001966 0.2939437E-01 402 11.99999 1.000930 0.2910910E-01 403 12.02999 1.000807 0.2948143E-01 404 12.05999 1.000722 0.2927041E-01 405 12.08999 1.001427 0.2949558E-01 406 12.11999 1.001998 0.2891804E-01 407 12.14999 1.002859 0.2944704E-01 408 12.17999 1.003887 0.2902913E-01 409 12.20999 1.002782 0.2745687E-01 410 12.23999 1.002378 0.2859469E-01 411 12.26999 1.003443 0.2877547E-01 412 12.29999 1.002946 0.2872779E-01 413 12.32999 1.003266 0.2922558E-01 414 12.35999 1.002921 0.2836027E-01 415 12.38999 1.002728 0.2796876E-01 416 12.41998 1.003141 0.2860095E-01 417 12.44998 1.003874 0.2824444E-01 418 12.47998 1.004121 0.2827819E-01 419 12.50998 1.003961 0.2810270E-01 420 12.53998 1.004282 0.2802837E-01 421 12.56998 1.004195 0.2762783E-01 422 12.59998 1.003881 0.2800922E-01 423 12.62998 1.004204 0.2804112E-01 424 12.65998 1.003676 0.2775053E-01 425 12.68998 1.003075 0.2797089E-01 426 12.71998 1.004287 0.2789193E-01 427 12.74998 1.003946 0.2695958E-01 428 12.77998 1.004785 0.2793250E-01 429 12.80998 1.004306 0.2755005E-01 430 12.83998 1.004120 0.2706550E-01 431 12.86998 1.004085 0.2757384E-01 432 12.89998 1.004404 0.2691090E-01 433 12.92998 1.004706 0.2679325E-01 434 12.95998 1.003783 0.2788979E-01 435 12.98998 1.003628 0.2697505E-01 436 13.01998 1.004583 0.2694189E-01 437 13.04998 1.003521 0.2733285E-01 438 13.07998 1.002880 0.2675764E-01 439 13.10998 1.003189 0.2740037E-01 440 13.13998 1.003448 0.2749375E-01 441 13.16998 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