H2O Chem Phys Special Issue vol 258, pp 121-137 (2000) T=423K Case (a) g_OO(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 0.0000000E+00 0.0000000E+00 37 1.049999 0.0000000E+00 0.0000000E+00 38 1.079999 0.0000000E+00 0.0000000E+00 39 1.109999 0.0000000E+00 0.0000000E+00 40 1.139999 0.0000000E+00 0.0000000E+00 41 1.169999 0.0000000E+00 0.0000000E+00 42 1.199999 0.0000000E+00 0.0000000E+00 43 1.229999 0.0000000E+00 0.0000000E+00 44 1.259999 0.0000000E+00 0.0000000E+00 45 1.289999 0.0000000E+00 0.0000000E+00 46 1.319999 0.0000000E+00 0.0000000E+00 47 1.349999 0.0000000E+00 0.0000000E+00 48 1.379999 0.0000000E+00 0.0000000E+00 49 1.409999 0.0000000E+00 0.0000000E+00 50 1.439999 0.0000000E+00 0.0000000E+00 51 1.469999 0.0000000E+00 0.0000000E+00 52 1.499999 0.0000000E+00 0.0000000E+00 53 1.529999 0.0000000E+00 0.0000000E+00 54 1.559999 0.0000000E+00 0.0000000E+00 55 1.589999 0.0000000E+00 0.0000000E+00 56 1.619999 0.0000000E+00 0.0000000E+00 57 1.649999 0.0000000E+00 0.0000000E+00 58 1.679999 0.0000000E+00 0.0000000E+00 59 1.709999 0.0000000E+00 0.0000000E+00 60 1.739999 0.0000000E+00 0.0000000E+00 61 1.769999 0.0000000E+00 0.0000000E+00 62 1.799999 0.0000000E+00 0.0000000E+00 63 1.829999 0.0000000E+00 0.0000000E+00 64 1.859999 0.0000000E+00 0.0000000E+00 65 1.889999 0.0000000E+00 0.0000000E+00 66 1.919999 0.0000000E+00 0.0000000E+00 67 1.949999 0.0000000E+00 0.0000000E+00 68 1.979999 0.0000000E+00 0.0000000E+00 69 2.009999 0.0000000E+00 0.0000000E+00 70 2.039999 0.0000000E+00 0.0000000E+00 71 2.069999 0.0000000E+00 0.0000000E+00 72 2.099998 0.0000000E+00 0.0000000E+00 73 2.129998 0.0000000E+00 0.0000000E+00 74 2.159998 0.0000000E+00 0.0000000E+00 75 2.189998 0.0000000E+00 0.0000000E+00 76 2.219998 0.0000000E+00 0.0000000E+00 77 2.249998 0.0000000E+00 0.0000000E+00 78 2.279998 0.3446152E-05 0.4556501E-03 79 2.309998 0.0000000E+00 0.0000000E+00 80 2.339998 0.6542396E-05 0.6116515E-03 81 2.369998 0.2056806E-03 0.3380022E-02 82 2.399998 0.1648077E-02 0.9447453E-02 83 2.429998 0.8152084E-02 0.2078411E-01 84 2.459998 0.2855553E-01 0.3851880E-01 85 2.489998 0.7353516E-01 0.6207225E-01 86 2.519998 0.1643799 0.9233854E-01 87 2.549998 0.3191687 0.1278487 88 2.579998 0.5527027 0.1637761 89 2.609998 0.8593699 0.2028253 90 2.639998 1.225964 0.2373195 91 2.669998 1.625803 0.2678911 92 2.699998 1.997243 0.2953056 93 2.729998 2.338033 0.3132247 94 2.759998 2.591794 0.3190723 95 2.789998 2.760639 0.3324195 96 2.819998 2.845951 0.3319810 97 2.849998 2.840624 0.3232791 98 2.879998 2.767837 0.3155098 99 2.909998 2.651156 0.3060437 100 2.939998 2.504129 0.2929142 101 2.969998 2.340246 0.2808666 102 2.999998 2.172679 0.2704161 103 3.029998 2.002602 0.2567245 104 3.059998 1.848977 0.2441411 105 3.089998 1.712306 0.2362469 106 3.119998 1.580059 0.2224452 107 3.149997 1.471236 0.2137183 108 3.179997 1.374664 0.2036546 109 3.209997 1.286572 0.1971641 110 3.239997 1.211664 0.1892419 111 3.269997 1.155616 0.1818377 112 3.299997 1.101318 0.1775099 113 3.329997 1.051035 0.1718525 114 3.359997 1.013652 0.1664219 115 3.389997 0.9805296 0.1615789 116 3.419997 0.9497388 0.1572891 117 3.449997 0.9237378 0.1539136 118 3.479997 0.9049804 0.1520516 119 3.509997 0.8862917 0.1501957 120 3.539997 0.8730773 0.1473679 121 3.569997 0.8602433 0.1441551 122 3.599997 0.8550100 0.1431766 123 3.629997 0.8444246 0.1407095 124 3.659997 0.8444079 0.1409146 125 3.689997 0.8404086 0.1390185 126 3.719997 0.8451531 0.1374249 127 3.749997 0.8448581 0.1355422 128 3.779997 0.8496173 0.1363934 129 3.809997 0.8563034 0.1339120 130 3.839997 0.8622942 0.1346915 131 3.869997 0.8722719 0.1344663 132 3.899997 0.8825457 0.1338151 133 3.929997 0.8954732 0.1334485 134 3.959997 0.9102250 0.1327685 135 3.989997 0.9250419 0.1331397 136 4.019997 0.9380913 0.1330699 137 4.049997 0.9514409 0.1335449 138 4.079998 0.9696267 0.1333712 139 4.109998 0.9820056 0.1347351 140 4.139998 0.9987583 0.1321304 141 4.169998 1.010504 0.1317876 142 4.199998 1.025716 0.1329789 143 4.229999 1.038869 0.1343470 144 4.259999 1.053551 0.1328488 145 4.289999 1.062621 0.1322670 146 4.319999 1.072908 0.1329923 147 4.349999 1.080293 0.1318264 148 4.380000 1.086946 0.1312028 149 4.410000 1.087468 0.1312628 150 4.440000 1.087780 0.1301281 151 4.470000 1.093440 0.1292018 152 4.500000 1.089299 0.1280508 153 4.530001 1.087713 0.1272153 154 4.560001 1.084617 0.1259113 155 4.590001 1.079094 0.1243671 156 4.620001 1.070659 0.1229800 157 4.650002 1.062811 0.1233497 158 4.680002 1.056231 0.1198852 159 4.710002 1.046509 0.1200343 160 4.740002 1.040790 0.1184532 161 4.770002 1.031850 0.1173202 162 4.800003 1.023404 0.1159434 163 4.830003 1.013854 0.1158164 164 4.860003 1.001976 0.1142187 165 4.890003 0.9984028 0.1129110 166 4.920003 0.9881664 0.1107559 167 4.950004 0.9841692 0.1113054 168 4.980004 0.9781801 0.1100844 169 5.010004 0.9700676 0.1093636 170 5.040004 0.9693109 0.1076577 171 5.070004 0.9654281 0.1082950 172 5.100005 0.9658236 0.1057721 173 5.130005 0.9638519 0.1056782 174 5.160005 0.9642446 0.1047568 175 5.190005 0.9668378 0.1041740 176 5.220006 0.9701648 0.1046196 177 5.250006 0.9718720 0.1045141 178 5.280006 0.9751199 0.1035197 179 5.310006 0.9795657 0.1028032 180 5.340006 0.9856300 0.1030765 181 5.370007 0.9897987 0.1018599 182 5.400007 0.9952621 0.1038579 183 5.430007 0.9987476 0.1005936 184 5.460007 1.002653 0.1022503 185 5.490007 1.003737 0.1018145 186 5.520008 1.009107 0.1004525 187 5.550008 1.012287 0.9906876E-01 188 5.580008 1.012490 0.9956030E-01 189 5.610008 1.013487 0.9892185E-01 190 5.640008 1.012542 0.9838231E-01 191 5.670009 1.009924 0.9790983E-01 192 5.700009 1.008475 0.9800171E-01 193 5.730009 1.006365 0.9763977E-01 194 5.760009 1.005102 0.9555229E-01 195 5.790009 1.001245 0.9624778E-01 196 5.820010 0.9986472 0.9289704E-01 197 5.850010 0.9953853 0.9524833E-01 198 5.880010 0.9949510 0.9450576E-01 199 5.910010 0.9899555 0.9353645E-01 200 5.940011 0.9882562 0.9223574E-01 201 5.970011 0.9857671 0.9176181E-01 202 6.000011 0.9849616 0.9217044E-01 203 6.030011 0.9851192 0.9202256E-01 204 6.060011 0.9849569 0.9085870E-01 205 6.090012 0.9849034 0.9029508E-01 206 6.120012 0.9876857 0.8922897E-01 207 6.150012 0.9898655 0.8928006E-01 208 6.180012 0.9885128 0.8892217E-01 209 6.210012 0.9911613 0.8771174E-01 210 6.240013 0.9961855 0.8797400E-01 211 6.270013 0.9979072 0.8769408E-01 212 6.300013 1.002591 0.8874571E-01 213 6.330013 1.004780 0.8810264E-01 214 6.360013 1.009898 0.8748959E-01 215 6.390014 1.011900 0.8712229E-01 216 6.420014 1.017324 0.8798213E-01 217 6.450014 1.021746 0.8722417E-01 218 6.480014 1.024946 0.8710039E-01 219 6.510015 1.032208 0.8580492E-01 220 6.540015 1.035757 0.8564083E-01 221 6.570015 1.040325 0.8555169E-01 222 6.600015 1.043808 0.8522432E-01 223 6.630015 1.048738 0.8498058E-01 224 6.660016 1.051695 0.8502546E-01 225 6.690016 1.057390 0.8575072E-01 226 6.720016 1.059219 0.8434696E-01 227 6.750016 1.062676 0.8507031E-01 228 6.780016 1.064450 0.8454460E-01 229 6.810017 1.065619 0.8412337E-01 230 6.840017 1.066617 0.8415312E-01 231 6.870017 1.068092 0.8332387E-01 232 6.900017 1.068935 0.8320433E-01 233 6.930017 1.069424 0.8269559E-01 234 6.960018 1.067638 0.8241762E-01 235 6.990018 1.067217 0.8185085E-01 236 7.020018 1.065538 0.8020976E-01 237 7.050018 1.064435 0.8112672E-01 238 7.080019 1.062270 0.7984407E-01 239 7.110019 1.060998 0.7987168E-01 240 7.140019 1.057739 0.7948118E-01 241 7.170019 1.053279 0.7886007E-01 242 7.200019 1.049656 0.7862238E-01 243 7.230020 1.046362 0.7806470E-01 244 7.260020 1.043118 0.7802729E-01 245 7.290020 1.039062 0.7737140E-01 246 7.320020 1.035065 0.7700073E-01 247 7.350020 1.030108 0.7686437E-01 248 7.380021 1.026481 0.7541535E-01 249 7.410021 1.021138 0.7630947E-01 250 7.440021 1.014594 0.7502469E-01 251 7.470021 1.011645 0.7436557E-01 252 7.500021 1.005942 0.7433270E-01 253 7.530022 1.001969 0.7094795E-01 254 7.560022 0.9968988 0.7341614E-01 255 7.590022 0.9929524 0.7217690E-01 256 7.620022 0.9910619 0.7236660E-01 257 7.650023 0.9867015 0.7198755E-01 258 7.680023 0.9810980 0.7197057E-01 259 7.710023 0.9790081 0.7075910E-01 260 7.740023 0.9773784 0.7075825E-01 261 7.770023 0.9753126 0.7092569E-01 262 7.800024 0.9732305 0.6980885E-01 263 7.830024 0.9713303 0.6970675E-01 264 7.860024 0.9692944 0.6920515E-01 265 7.890024 0.9680947 0.6897869E-01 266 7.920024 0.9667662 0.6827737E-01 267 7.950025 0.9674828 0.6885371E-01 268 7.980025 0.9659553 0.6868818E-01 269 8.010024 0.9681860 0.6838030E-01 270 8.040024 0.9678200 0.6743100E-01 271 8.070024 0.9694188 0.6728189E-01 272 8.100023 0.9714810 0.6697734E-01 273 8.130023 0.9710183 0.6725310E-01 274 8.160023 0.9731502 0.6748226E-01 275 8.190022 0.9756022 0.6692170E-01 276 8.220022 0.9761803 0.6658105E-01 277 8.250022 0.9789591 0.6632721E-01 278 8.280022 0.9804490 0.6605572E-01 279 8.310021 0.9810245 0.6627148E-01 280 8.340021 0.9833800 0.6586550E-01 281 8.370021 0.9854893 0.6633710E-01 282 8.400021 0.9863720 0.6565613E-01 283 8.430020 0.9892277 0.6517275E-01 284 8.460020 0.9909279 0.6497077E-01 285 8.490020 0.9920347 0.6576951E-01 286 8.520020 0.9943202 0.6405935E-01 287 8.550019 0.9955595 0.6446422E-01 288 8.580019 0.9972023 0.6415326E-01 289 8.610019 0.9974173 0.6537045E-01 290 8.640018 0.9998956 0.6588722E-01 291 8.670018 1.001464 0.6479990E-01 292 8.700018 1.003473 0.6188953E-01 293 8.730018 1.005021 0.6189531E-01 294 8.760017 1.005907 0.6302612E-01 295 8.790017 1.006841 0.6470141E-01 296 8.820017 1.007806 0.6246375E-01 297 8.850017 1.009493 0.6204055E-01 298 8.880016 1.010802 0.6121361E-01 299 8.910016 1.011171 0.6145946E-01 300 8.940016 1.011851 0.6239023E-01 301 8.970016 1.013425 0.6243225E-01 302 9.000015 1.013960 0.6069829E-01 303 9.030015 1.014590 0.6163958E-01 304 9.060015 1.014516 0.6101074E-01 305 9.090014 1.015850 0.6070909E-01 306 9.120014 1.017016 0.6128562E-01 307 9.150014 1.017087 0.6075914E-01 308 9.180014 1.017430 0.6106932E-01 309 9.210013 1.017767 0.6025181E-01 310 9.240013 1.017632 0.6025873E-01 311 9.270013 1.017370 0.6037731E-01 312 9.300013 1.019204 0.5968127E-01 313 9.330012 1.017280 0.5996722E-01 314 9.360012 1.018526 0.5883029E-01 315 9.390012 1.017673 0.5903662E-01 316 9.420012 1.017259 0.5873904E-01 317 9.450011 1.016874 0.5918485E-01 318 9.480011 1.016603 0.5925027E-01 319 9.510011 1.016081 0.5886270E-01 320 9.540010 1.014382 0.5947318E-01 321 9.570010 1.014494 0.5801615E-01 322 9.600010 1.014107 0.5762133E-01 323 9.630010 1.012491 0.5840832E-01 324 9.660009 1.012943 0.5730912E-01 325 9.690009 1.011660 0.5662694E-01 326 9.720009 1.010571 0.5756130E-01 327 9.750009 1.010989 0.5747010E-01 328 9.780008 1.008801 0.5597480E-01 329 9.810008 1.007503 0.5654373E-01 330 9.840008 1.007255 0.5587994E-01 331 9.870008 1.005772 0.5477136E-01 332 9.900007 1.004586 0.5563086E-01 333 9.930007 1.004269 0.5737253E-01 334 9.960007 1.002655 0.5575180E-01 335 9.990006 1.003180 0.5484205E-01 336 10.02001 1.000965 0.5650577E-01 337 10.05001 1.001955 0.5132182E-01 338 10.08001 1.000115 0.5668796E-01 339 10.11001 0.9987463 0.5086452E-01 340 10.14001 0.9987822 0.5053829E-01 341 10.17000 0.9972113 0.5625309E-01 342 10.20000 0.9966299 0.5425473E-01 343 10.23000 0.9974656 0.5414365E-01 344 10.26000 0.9966146 0.5209872E-01 345 10.29000 0.9974319 0.5817928E-01 346 10.32000 0.9957230 0.5530742E-01 347 10.35000 0.9949521 0.5253053E-01 348 10.38000 0.9948232 0.5300439E-01 349 10.41000 0.9946545 0.5320305E-01 350 10.44000 0.9941994 0.5298977E-01 351 10.47000 0.9935570 0.5286702E-01 352 10.50000 0.9948802 0.5307743E-01 353 10.53000 0.9932297 0.5337084E-01 354 10.56000 0.9945769 0.5278182E-01 355 10.59000 0.9938498 0.5338647E-01 356 10.62000 0.9958544 0.5215246E-01 357 10.65000 0.9948263 0.5158594E-01 358 10.68000 0.9948555 0.5105867E-01 359 10.71000 0.9951058 0.5260706E-01 360 10.74000 0.9949382 0.5017253E-01 361 10.77000 0.9950714 0.5217760E-01 362 10.80000 0.9953772 0.5231792E-01 363 10.83000 0.9958059 0.5220444E-01 364 10.86000 0.9955372 0.4948713E-01 365 10.89000 0.9956543 0.4901819E-01 366 10.92000 0.9958473 0.5345843E-01 367 10.95000 0.9971716 0.5157785E-01 368 10.98000 0.9960582 0.5100787E-01 369 11.01000 0.9968215 0.4799211E-01 370 11.04000 0.9958041 0.5164887E-01 371 11.07000 0.9977463 0.5045212E-01 372 11.10000 0.9970496 0.5110360E-01 373 11.13000 0.9972007 0.5056010E-01 374 11.16000 0.9978307 0.5263708E-01 375 11.19000 0.9975068 0.5062019E-01 376 11.22000 0.9982138 0.5014520E-01 377 11.25000 0.9990092 0.4507421E-01 378 11.27999 0.9979913 0.5247945E-01 379 11.30999 0.9984778 0.4672344E-01 380 11.33999 0.9990132 0.4397514E-01 381 11.36999 0.9988552 0.4659058E-01 382 11.39999 0.9990176 0.4463836E-01 383 11.42999 0.9989043 0.4293058E-01 384 11.45999 0.9990879 0.4374548E-01 385 11.48999 0.9988822 0.4261146E-01 386 11.51999 0.9986132 0.4840515E-01 387 11.54999 0.9989535 0.4411993E-01 388 11.57999 0.9997475 0.4630376E-01 389 11.60999 0.9981835 0.5016125E-01 390 11.63999 0.9984833 0.4818547E-01 391 11.66999 0.9981807 0.5136478E-01 392 11.69999 0.9982756 0.4902669E-01 393 11.72999 0.9979198 0.4841131E-01 394 11.75999 0.9985594 0.4877377E-01 395 11.78999 0.9978334 0.4763621E-01 396 11.81999 0.9978772 0.4873343E-01 397 11.84999 0.9980583 0.4840761E-01 398 11.87999 0.9978635 0.4656883E-01 399 11.90999 0.9979120 0.4827321E-01 400 11.93999 0.9989677 0.4397243E-01 401 11.96999 0.9989517 0.4011120E-01 402 11.99999 0.9980028 0.4676488E-01 403 12.02999 0.9982800 0.4783786E-01 404 12.05999 0.9988947 0.4149098E-01 405 12.08999 0.9979863 0.4880493E-01 406 12.11999 0.9984617 0.4312176E-01 407 12.14999 0.9982086 0.4630956E-01 408 12.17999 0.9984843 0.4424337E-01 409 12.20999 0.9982831 0.4664428E-01 410 12.23999 0.9987167 0.4511254E-01 411 12.26999 0.9973305 0.4864712E-01 412 12.29999 0.9982697 0.4625418E-01 413 12.32999 0.9987960 0.3918286E-01 414 12.35999 0.9980864 0.4738719E-01 415 12.38999 0.9971392 0.4946123E-01 416 12.41998 0.9986822 0.4126266E-01 417 12.44998 0.9970474 0.4271345E-01 418 12.47998 0.9970824 0.4876338E-01 419 12.50998 0.9970987 0.4758300E-01 420 12.53998 0.9984366 0.4038148E-01 421 12.56998 0.9976301 0.4612578E-01 422 12.59998 0.9974012 0.4828926E-01 423 12.62998 0.9974068 0.4916874E-01 424 12.65998 0.9971815 0.4847529E-01 425 12.68998 0.9974024 0.4589974E-01 426 12.71998 0.9961661 0.4640535E-01 427 12.74998 0.9975902 0.4643039E-01 428 12.77998 0.9968902 0.4334510E-01 429 12.80998 0.9979903 0.4413141E-01 430 12.83998 0.9969661 0.3931043E-01 431 12.86998 0.9974322 0.4388288E-01 432 12.89998 0.9973568 0.4497823E-01 433 12.92998 0.9985711 0.4188631E-01 434 12.95998 0.9974383 0.4688326E-01 435 12.98998 0.9975666 0.4505635E-01 436 13.01998 0.9984583 0.3968919E-01 437 13.04998 0.9971438 0.4212186E-01 438 13.07998 0.9968551 0.3753339E-01 439 13.10998 0.9971267 0.4359192E-01 440 13.13998 0.9972607 0.4728015E-01 441 13.16998 0.9973240 0.4648299E-01 442 13.19998 0.9964605 0.4312452E-01 443 13.22998 0.9969581 0.4027211E-01 444 13.25998 0.9959080 0.4296806E-01 445 13.28998 0.9964638 0.4227582E-01 446 13.31998 0.9972590 0.4192755E-01 447 13.34998 0.9969588 0.4185214E-01 448 13.37998 0.9970585 0.4820340E-01 449 13.40998 0.9959364 0.4483754E-01 450 13.43998 0.9965904 0.4328662E-01 451 13.46998 0.9963052 0.4446846E-01 452 13.49998 0.9955536 0.4420024E-01 453 13.52997 0.9954861 0.4341792E-01 454 13.55997 0.9952470 0.4480962E-01 455 13.58997 0.9952786 0.4338428E-01 456 13.61997 0.9951562 0.4442554E-01 457 13.64997 0.9961047 0.4460029E-01 458 13.67997 0.9957529 0.4488006E-01 459 13.70997 0.9948251 0.4233852E-01 460 13.73997 0.9962741 0.4319357E-01 461 13.76997 0.9956452 0.4241096E-01 462 13.79997 0.9952085 0.4570323E-01 463 13.82997 0.9958518 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