H2O Chem Phys Special Issue vol 258, pp 121-137 (2000) T=573K Case (a) g_HH(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 0.0000000E+00 0.0000000E+00 24 0.6599998 0.0000000E+00 0.0000000E+00 25 0.6899998 0.0000000E+00 0.0000000E+00 26 0.7199998 0.0000000E+00 0.0000000E+00 27 0.7499998 0.0000000E+00 0.0000000E+00 28 0.7799997 0.0000000E+00 0.0000000E+00 29 0.8099997 0.0000000E+00 0.0000000E+00 30 0.8399997 0.0000000E+00 0.0000000E+00 31 0.8699996 0.0000000E+00 0.0000000E+00 32 0.8999996 0.0000000E+00 0.0000000E+00 33 0.9299996 0.0000000E+00 0.0000000E+00 34 0.9599996 0.0000000E+00 0.0000000E+00 35 0.9899995 0.0000000E+00 0.0000000E+00 36 1.020000 0.8281026E-03 0.8909769E-02 37 1.049999 0.0000000E+00 0.0000000E+00 38 1.079999 0.1477151E-02 0.1118942E-01 39 1.109999 0.2209262E-02 0.1324632E-01 40 1.139999 0.3989337E-02 0.1711030E-01 41 1.169999 0.1132604E-01 0.3132497E-01 42 1.199999 0.4796752E-01 0.5973537E-01 43 1.229999 0.8238286E-01 0.7046928E-01 44 1.259999 0.1028993 0.8064030E-01 45 1.289999 0.2388188 0.1322113 46 1.319999 0.3984352 0.1514208 47 1.349999 0.6409362 0.1847190 48 1.379999 0.9143329 0.1943732 49 1.409999 1.226660 0.2266496 50 1.439999 1.611261 0.2187936 51 1.469999 1.993307 0.2710044 52 1.499999 2.291186 0.3445183 53 1.529999 2.387801 0.3311577 54 1.559999 2.395502 0.3024720 55 1.589999 2.189013 0.2770608 56 1.619999 1.936607 0.2418047 57 1.649999 1.597910 0.2289336 58 1.679999 1.163516 0.1980039 59 1.709999 0.8970053 0.1867949 60 1.739999 0.6640746 0.1452298 61 1.769999 0.4241367 0.1301092 62 1.799999 0.2809218 0.1013852 63 1.829999 0.2512130 0.9576224E-01 64 1.859999 0.2102411 0.8429397E-01 65 1.889999 0.2267545 0.8655456E-01 66 1.919999 0.2554829 0.9112228E-01 67 1.949999 0.2964744 0.9484152E-01 68 1.979999 0.3497208 0.1000323 69 2.009999 0.3949296 0.1049883 70 2.039999 0.4511428 0.1060007 71 2.069999 0.5069879 0.1116444 72 2.099998 0.5643752 0.1158167 73 2.129998 0.6211589 0.1196052 74 2.159998 0.6851657 0.1195340 75 2.189998 0.7397691 0.1215406 76 2.219998 0.7969265 0.1274108 77 2.249998 0.8527947 0.1298647 78 2.279998 0.8992750 0.1308434 79 2.309998 0.9407311 0.1317278 80 2.339998 0.9875757 0.1347919 81 2.369998 1.020296 0.1318468 82 2.399998 1.054970 0.1343523 83 2.429998 1.080907 0.1347718 84 2.459998 1.112266 0.1352261 85 2.489998 1.117361 0.1340397 86 2.519998 1.133608 0.1333754 87 2.549998 1.137957 0.1316011 88 2.579998 1.142677 0.1314737 89 2.609998 1.143254 0.1291142 90 2.639998 1.135499 0.1269574 91 2.669998 1.130930 0.1256587 92 2.699998 1.119681 0.1238190 93 2.729998 1.104363 0.1212384 94 2.759998 1.091197 0.1181187 95 2.789998 1.080540 0.1192821 96 2.819998 1.063283 0.1148956 97 2.849998 1.051930 0.1115982 98 2.879998 1.040251 0.1151438 99 2.909998 1.023069 0.1101943 100 2.939998 1.017272 0.1086236 101 2.969998 1.003576 0.1076353 102 2.999998 1.001981 0.1053591 103 3.029998 0.9934410 0.1029463 104 3.059998 0.9934970 0.1046882 105 3.089998 0.9914553 0.1013925 106 3.119998 0.9911776 0.9914634E-01 107 3.149997 0.9991319 0.9848011E-01 108 3.179997 1.005627 0.1012916 109 3.209997 1.012705 0.9932174E-01 110 3.239997 1.016956 0.9836777E-01 111 3.269997 1.028421 0.9641854E-01 112 3.299997 1.041340 0.9764954E-01 113 3.329997 1.052117 0.9765320E-01 114 3.359997 1.062864 0.9651370E-01 115 3.389997 1.075417 0.9640804E-01 116 3.419997 1.085364 0.9537122E-01 117 3.449997 1.096842 0.9475676E-01 118 3.479997 1.108415 0.9449536E-01 119 3.509997 1.120520 0.9519731E-01 120 3.539997 1.122391 0.9338882E-01 121 3.569997 1.129075 0.9460315E-01 122 3.599997 1.136625 0.9480770E-01 123 3.629997 1.132765 0.9154460E-01 124 3.659997 1.138669 0.9333583E-01 125 3.689997 1.136721 0.9032609E-01 126 3.719997 1.136750 0.9114721E-01 127 3.749997 1.132016 0.8909828E-01 128 3.779997 1.127922 0.8926203E-01 129 3.809997 1.123141 0.8889066E-01 130 3.839997 1.122941 0.8755497E-01 131 3.869997 1.115803 0.8631675E-01 132 3.899997 1.108907 0.8522851E-01 133 3.929997 1.101940 0.8358599E-01 134 3.959997 1.096664 0.8313625E-01 135 3.989997 1.092569 0.8244727E-01 136 4.019997 1.086294 0.8142886E-01 137 4.049997 1.082321 0.8234672E-01 138 4.079998 1.077550 0.8162115E-01 139 4.109998 1.071639 0.7866482E-01 140 4.139998 1.067558 0.7954565E-01 141 4.169998 1.066018 0.7894015E-01 142 4.199998 1.060375 0.7602306E-01 143 4.229999 1.056803 0.7717934E-01 144 4.259999 1.053768 0.7511918E-01 145 4.289999 1.051359 0.7330889E-01 146 4.319999 1.047232 0.7352646E-01 147 4.349999 1.041457 0.7461842E-01 148 4.380000 1.034300 0.7313387E-01 149 4.410000 1.041826 0.7264404E-01 150 4.440000 1.033827 0.7219053E-01 151 4.470000 1.031241 0.7193992E-01 152 4.500000 1.029631 0.7028706E-01 153 4.530001 1.026678 0.7062461E-01 154 4.560001 1.024301 0.6956080E-01 155 4.590001 1.018677 0.6947163E-01 156 4.620001 1.017726 0.6990782E-01 157 4.650002 1.014233 0.6869251E-01 158 4.680002 1.011964 0.6837245E-01 159 4.710002 1.009763 0.6747740E-01 160 4.740002 1.006339 0.6753567E-01 161 4.770002 1.004136 0.6519423E-01 162 4.800003 1.001684 0.6449842E-01 163 4.830003 1.000266 0.6531663E-01 164 4.860003 0.9990709 0.6331296E-01 165 4.890003 1.002717 0.6452337E-01 166 4.920003 0.9996322 0.6418160E-01 167 4.950004 0.9994993 0.6268569E-01 168 4.980004 1.000423 0.6357696E-01 169 5.010004 0.9998437 0.6245039E-01 170 5.040004 0.9996991 0.6372210E-01 171 5.070004 1.001782 0.6289832E-01 172 5.100005 1.001867 0.6060001E-01 173 5.130005 1.001321 0.6130118E-01 174 5.160005 1.003887 0.6117075E-01 175 5.190005 1.003946 0.6085227E-01 176 5.220006 1.006271 0.6218737E-01 177 5.250006 1.005154 0.5994038E-01 178 5.280006 1.007668 0.5903561E-01 179 5.310006 1.008740 0.6069534E-01 180 5.340006 1.007441 0.6038817E-01 181 5.370007 1.007336 0.5946817E-01 182 5.400007 1.005499 0.5895276E-01 183 5.430007 1.004384 0.5780619E-01 184 5.460007 1.003053 0.5707567E-01 185 5.490007 1.004932 0.5730808E-01 186 5.520008 1.005161 0.5649838E-01 187 5.550008 1.005050 0.5684860E-01 188 5.580008 1.001724 0.5651948E-01 189 5.610008 1.001798 0.5664589E-01 190 5.640008 0.9995445 0.5507793E-01 191 5.670009 0.9995905 0.5553059E-01 192 5.700009 0.9979528 0.5573308E-01 193 5.730009 0.9964715 0.5565443E-01 194 5.760009 0.9973722 0.5395729E-01 195 5.790009 0.9958697 0.5466025E-01 196 5.820010 0.9948443 0.5383674E-01 197 5.850010 0.9948306 0.5302181E-01 198 5.880010 0.9964306 0.5517686E-01 199 5.910010 0.9969656 0.5332615E-01 200 5.940011 0.9947153 0.5349912E-01 201 5.970011 0.9981052 0.5226434E-01 202 6.000011 0.9988263 0.5272816E-01 203 6.030011 0.9981317 0.5120031E-01 204 6.060011 0.9997444 0.5203404E-01 205 6.090012 1.000363 0.5087975E-01 206 6.120012 1.003695 0.5209757E-01 207 6.150012 1.004347 0.5097221E-01 208 6.180012 1.005727 0.5075542E-01 209 6.210012 1.007202 0.5003513E-01 210 6.240013 1.010299 0.5148416E-01 211 6.270013 1.010470 0.4985254E-01 212 6.300013 1.011854 0.5011488E-01 213 6.330013 1.014144 0.5008990E-01 214 6.360013 1.014706 0.5008514E-01 215 6.390014 1.016745 0.4898047E-01 216 6.420014 1.017459 0.4938525E-01 217 6.450014 1.018092 0.4845561E-01 218 6.480014 1.017845 0.4961644E-01 219 6.510015 1.019361 0.4946725E-01 220 6.540015 1.018630 0.4917722E-01 221 6.570015 1.018738 0.4904372E-01 222 6.600015 1.017748 0.4863365E-01 223 6.630015 1.018120 0.4819907E-01 224 6.660016 1.018008 0.4641113E-01 225 6.690016 1.016484 0.4681647E-01 226 6.720016 1.014026 0.4717919E-01 227 6.750016 1.014666 0.4657010E-01 228 6.780016 1.012484 0.4634301E-01 229 6.810017 1.011665 0.4700706E-01 230 6.840017 1.011227 0.4522339E-01 231 6.870017 1.008132 0.4627479E-01 232 6.900017 1.007964 0.4531687E-01 233 6.930017 1.006768 0.4571627E-01 234 6.960018 1.005955 0.4530503E-01 235 6.990018 1.003555 0.4525369E-01 236 7.020018 1.002927 0.4445237E-01 237 7.050018 1.003639 0.4466906E-01 238 7.080019 1.001386 0.4489798E-01 239 7.110019 1.001971 0.4477835E-01 240 7.140019 1.000667 0.4433287E-01 241 7.170019 0.9989489 0.4459160E-01 242 7.200019 0.9981481 0.4369299E-01 243 7.230020 0.9984809 0.4377817E-01 244 7.260020 0.9969881 0.4281241E-01 245 7.290020 0.9959196 0.4353377E-01 246 7.320020 0.9961258 0.4290420E-01 247 7.350020 0.9953560 0.4237511E-01 248 7.380021 0.9968289 0.4282564E-01 249 7.410021 0.9953973 0.4260726E-01 250 7.440021 0.9965699 0.4189627E-01 251 7.470021 0.9961334 0.4197799E-01 252 7.500021 0.9954724 0.4195100E-01 253 7.530022 0.9961576 0.4184217E-01 254 7.560022 0.9942099 0.4176660E-01 255 7.590022 0.9954175 0.4131679E-01 256 7.620022 0.9963681 0.4204893E-01 257 7.650023 0.9958569 0.4087515E-01 258 7.680023 0.9977722 0.4025952E-01 259 7.710023 0.9975673 0.4046994E-01 260 7.740023 0.9961121 0.4068368E-01 261 7.770023 0.9973243 0.4061256E-01 262 7.800024 0.9962123 0.4077806E-01 263 7.830024 0.9974971 0.4049497E-01 264 7.860024 0.9984691 0.4083795E-01 265 7.890024 0.9972861 0.3979717E-01 266 7.920024 0.9989365 0.4023509E-01 267 7.950025 0.9990485 0.3975896E-01 268 7.980025 1.000469 0.3972071E-01 269 8.010024 1.000021 0.3871920E-01 270 8.040024 1.000653 0.3978518E-01 271 8.070024 1.002084 0.3907928E-01 272 8.100023 1.001039 0.3947083E-01 273 8.130023 1.000829 0.3861283E-01 274 8.160023 1.001364 0.3891574E-01 275 8.190022 1.002275 0.3876381E-01 276 8.220022 1.001873 0.3780634E-01 277 8.250022 1.001421 0.3788666E-01 278 8.280022 1.002711 0.3801231E-01 279 8.310021 1.002677 0.3738781E-01 280 8.340021 1.001996 0.3725045E-01 281 8.370021 1.001257 0.3769898E-01 282 8.400021 1.002066 0.3764360E-01 283 8.430020 1.003004 0.3713185E-01 284 8.460020 1.001714 0.3775586E-01 285 8.490020 1.002702 0.3706437E-01 286 8.520020 1.001616 0.3615755E-01 287 8.550019 1.002985 0.3625304E-01 288 8.580019 1.001543 0.3664387E-01 289 8.610019 1.002116 0.3717998E-01 290 8.640018 1.001257 0.3650862E-01 291 8.670018 1.000476 0.3677701E-01 292 8.700018 1.001087 0.3572137E-01 293 8.730018 1.001269 0.3613776E-01 294 8.760017 0.9999250 0.3574973E-01 295 8.790017 1.000229 0.3580304E-01 296 8.820017 0.9999852 0.3568130E-01 297 8.850017 1.000065 0.3544666E-01 298 8.880016 1.000582 0.3543657E-01 299 8.910016 1.000663 0.3479839E-01 300 8.940016 0.9999495 0.3497778E-01 301 8.970016 0.9998958 0.3470406E-01 302 9.000015 0.9997586 0.3461032E-01 303 9.030015 0.9997386 0.3534310E-01 304 9.060015 0.9987893 0.3470148E-01 305 9.090014 0.9987121 0.3386170E-01 306 9.120014 1.000191 0.3455776E-01 307 9.150014 0.9993152 0.3367991E-01 308 9.180014 0.9997473 0.3442729E-01 309 9.210013 0.9986907 0.3383969E-01 310 9.240013 1.000734 0.3382559E-01 311 9.270013 1.000188 0.3391359E-01 312 9.300013 0.9990779 0.3449388E-01 313 9.330012 0.9995729 0.3439784E-01 314 9.360012 0.9986430 0.3337234E-01 315 9.390012 0.9977178 0.3306281E-01 316 9.420012 0.9981544 0.3330261E-01 317 9.450011 0.9997644 0.3352203E-01 318 9.480011 0.9993832 0.3326231E-01 319 9.510011 0.9975199 0.3305289E-01 320 9.540010 0.9994904 0.3347310E-01 321 9.570010 0.9989149 0.3341963E-01 322 9.600010 0.9997115 0.3219418E-01 323 9.630010 0.9988213 0.3284576E-01 324 9.660009 0.9987696 0.3189377E-01 325 9.690009 1.000114 0.3228754E-01 326 9.720009 1.000153 0.3170070E-01 327 9.750009 0.9992318 0.3181987E-01 328 9.780008 0.9988402 0.3216547E-01 329 9.810008 0.9991859 0.3194793E-01 330 9.840008 0.9991098 0.3164236E-01 331 9.870008 0.9990765 0.3170352E-01 332 9.900007 0.9989384 0.3127193E-01 333 9.930007 0.9995127 0.3137183E-01 334 9.960007 0.9989837 0.3171856E-01 335 9.990006 0.9981094 0.3156220E-01 336 10.02001 0.9984816 0.3138893E-01 337 10.05001 0.9986959 0.3152913E-01 338 10.08001 0.9985695 0.3178332E-01 339 10.11001 0.9989049 0.3118030E-01 340 10.14001 1.000061 0.3047360E-01 341 10.17000 0.9989522 0.3113439E-01 342 10.20000 0.9981875 0.3034423E-01 343 10.23000 0.9982537 0.3040016E-01 344 10.26000 0.9997505 0.3098278E-01 345 10.29000 0.9988363 0.3086134E-01 346 10.32000 0.9993770 0.3053515E-01 347 10.35000 0.9991576 0.3018372E-01 348 10.38000 0.9994065 0.3033343E-01 349 10.41000 0.9978456 0.3008185E-01 350 10.44000 0.9993520 0.2991395E-01 351 10.47000 0.9986460 0.2986310E-01 352 10.50000 0.9999853 0.2936800E-01 353 10.53000 0.9996123 0.2945008E-01 354 10.56000 0.9992810 0.2915820E-01 355 10.59000 0.9997277 0.2914082E-01 356 10.62000 1.000237 0.2955816E-01 357 10.65000 0.9989710 0.2910705E-01 358 10.68000 0.9999365 0.2916638E-01 359 10.71000 0.9997397 0.2925106E-01 360 10.74000 0.9991869 0.2932128E-01 361 10.77000 1.000050 0.2981316E-01 362 10.80000 0.9994780 0.2894997E-01 363 10.83000 0.9992530 0.2939031E-01 364 10.86000 1.000520 0.2890361E-01 365 10.89000 0.9994096 0.2961457E-01 366 10.92000 0.9991037 0.2871430E-01 367 10.95000 0.9992865 0.2877133E-01 368 10.98000 0.9992288 0.2857801E-01 369 11.01000 0.9990405 0.2849760E-01 370 11.04000 0.9983134 0.2815038E-01 371 11.07000 0.9991754 0.2872157E-01 372 11.10000 0.9992719 0.2896850E-01 373 11.13000 0.9985616 0.2831189E-01 374 11.16000 0.9986948 0.2794530E-01 375 11.19000 0.9998578 0.2822333E-01 376 11.22000 0.9989806 0.2808785E-01 377 11.25000 0.9981222 0.2798899E-01 378 11.27999 0.9997396 0.2779882E-01 379 11.30999 0.9992305 0.2792397E-01 380 11.33999 0.9991504 0.2745144E-01 381 11.36999 0.9988960 0.2789941E-01 382 11.39999 0.9986645 0.2801028E-01 383 11.42999 1.000571 0.2746338E-01 384 11.45999 0.9994176 0.2726516E-01 385 11.48999 0.9997872 0.2742537E-01 386 11.51999 0.9994546 0.2695516E-01 387 11.54999 0.9994517 0.2759005E-01 388 11.57999 1.000343 0.2710291E-01 389 11.60999 0.9998358 0.2735029E-01 390 11.63999 0.9996544 0.2703685E-01 391 11.66999 0.9995205 0.2635023E-01 392 11.69999 1.000604 0.2676877E-01 393 11.72999 1.001371 0.2685769E-01 394 11.75999 1.000271 0.2644393E-01 395 11.78999 1.000036 0.2703024E-01 396 11.81999 0.9997010 0.2683326E-01 397 11.84999 0.9995537 0.2642364E-01 398 11.87999 0.9991385 0.2631967E-01 399 11.90999 0.9995988 0.2703575E-01 400 11.93999 1.000681 0.2637397E-01 401 11.96999 0.9996676 0.2596628E-01 402 11.99999 0.9997536 0.2655527E-01 403 12.02999 0.9997763 0.2623234E-01 404 12.05999 0.9984874 0.2586047E-01 405 12.08999 0.9996930 0.2572181E-01 406 12.11999 0.9994078 0.2620278E-01 407 12.14999 0.9990561 0.2579355E-01 408 12.17999 0.9991837 0.2585586E-01 409 12.20999 0.9995260 0.2542347E-01 410 12.23999 0.9991915 0.2639995E-01 411 12.26999 1.000011 0.2555209E-01 412 12.29999 0.9993228 0.2529891E-01 413 12.32999 0.9986494 0.2544573E-01 414 12.35999 0.9989846 0.2549721E-01 415 12.38999 0.9984623 0.2612875E-01 416 12.41998 0.9989715 0.2523876E-01 417 12.44998 0.9985242 0.2564174E-01 418 12.47998 0.9985070 0.2559521E-01 419 12.50998 0.9990374 0.2528830E-01 420 12.53998 0.9980714 0.2490713E-01 421 12.56998 0.9981949 0.2536714E-01 422 12.59998 0.9982312 0.2472097E-01 423 12.62998 0.9989092 0.2501220E-01 424 12.65998 0.9997911 0.2501578E-01 425 12.68998 0.9999176 0.2459891E-01 426 12.71998 0.9989769 0.2502769E-01 427 12.74998 0.9984417 0.2385218E-01 428 12.77998 0.9990596 0.2419580E-01 429 12.80998 0.9984980 0.2483163E-01 430 12.83998 0.9989049 0.2367535E-01 431 12.86998 0.9991701 0.2452976E-01 432 12.89998 0.9982167 0.2440918E-01 433 12.92998 0.9994326 0.2463160E-01 434 12.95998 0.9989072 0.2454069E-01 435 12.98998 0.9985445 0.2465699E-01 436 13.01998 0.9994919 0.2349719E-01 437 13.04998 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