#------------------------------------------------------------------------------- # Stage 2.1: Initialize LAMMPS run for 3-d periodic #------------------------------------------------------------------------------- units real boundary p p p atom_style full pair_style lj/class2/coul/long 12 pair_modify mix sixthpower pair_modify tail yes bond_style class2 angle_style class2 dihedral_style class2 improper_style class2 special_bonds lj 0.0 0.0 1.0 coul 0.0 0.0 1.0 box tilt large read_data structure.dat Reading data file ... orthogonal box = (0 0 0) to (40.55862 40.55862 40.55862) 2 by 2 by 2 MPI processor grid reading atoms ... 6672 atoms scanning bonds ... 1 = max bonds/atom scanning angles ... 1 = max angles/atom reading bonds ... 4440 bonds reading angles ... 2220 angles Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 1 special bond factors coul: 0 0 1 2 = max # of 1-2 neighbors 1 = max # of 1-3 neighbors 2 = max # of special neighbors special bonds CPU = 0.005 seconds read_data CPU = 0.083 seconds include parameters.dat bond_coeff 1 0.97 563.28 -1428.2 1902.1 # h* o* angle_coeff 1 103.7 49.84 -11.6 -8 # h* o* h* dihedral_coeff 1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 # xxx xxx xxx xxx improper_coeff 1 0.0 0.0 # xxx xxx xxx xxx angle_coeff 1 bb -9.5 0.97 0.97 # h* o* h* angle_coeff 1 ba 22.35 22.35 0.97 0.97 # h* o* h* dihedral_coeff 1 mbt 0.0000 0.0000 0.0000 0.0 # xxx xxx xxx xxx dihedral_coeff 1 ebt 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0 0.0 # xxx xxx xxx xxx dihedral_coeff 1 at 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0 0.0 # xxx xxx xxx xxx dihedral_coeff 1 aat 0.0000 0.0 0.0 # xxx xxx xxx xxx dihedral_coeff 1 bb13 0.0 0.0 0.0 # xxx xxx xxx xxx improper_coeff 1 aa 0.0 0.0 0.0 120.0 120.0 120.0 # xxx xxx xxx xxx pair_coeff 1 1 0.05899 5.1728 # Cl - pair_coeff 2 2 0 1.098 # hw - pair_coeff 3 3 0.2951 2.3959 # mg+ - pair_coeff 4 4 0.148 3.7824 # o* - neighbor 2.0 bin neigh_modify delay 0 every 1 check yes kspace_style pppm 0.00001 variable R equal 0.00198722 variable sysvol equal vol variable sysmass equal mass(all)/6.0221367e+23 variable sysdensity equal v_sysmass/v_sysvol/1.0e-24 variable coulomb equal ecoul+elong variable etotal equal etotal variable pe equal pe variable ke equal ke variable evdwl equal evdwl variable epair equal epair variable ebond equal ebond variable eangle equal eangle variable edihed equal edihed variable eimp equal eimp variable lx equal lx variable ly equal ly variable lz equal lz variable Nthermo equal 0 variable cella equal lx variable cellb equal sqrt(ly*ly+xy*xy) variable cellc equal sqrt(lz*lz+xz*xz+yz*yz) variable cellalpha equal acos((xy*xz+ly*yz)/(v_cellb*v_cellc)) variable cellbeta equal acos(xz/v_cellc) variable cellgamma equal acos(xy/v_cellb) variable p equal press variable pxx equal pxx variable pyy equal pyy variable pzz equal pzz variable pyz equal pyz variable pxz equal pxz variable pxy equal pxy variable sxx equal -pxx variable syy equal -pyy variable szz equal -pzz variable syz equal -pyz variable sxz equal -pxz variable sxy equal -pxy variable fmax equal fmax variable fnorm equal fnorm variable time equal step*dt+0.000001 variable surfacetension equal 0.5*v_lz*(0.5*(v_sxx+v_syy)-v_szz) thermo_style custom step v_time press vol v_sysdensity temp ebond eangle edihed eimp evdwl ecoul etail elong pe ke thermo_modify flush yes # # Set up the fixed and movable groups # group movable union all 6672 atoms in group movable group fixed subtract all movable 0 atoms in group fixed compute sum_f1 movable reduce sum fx fy fz variable sum_fx equal c_sum_f1[1] variable sum_fy equal c_sum_f1[2] variable sum_fz equal c_sum_f1[3] # # Subsets # group subset_Mg id 1 2 3 4 4 atoms in group subset_Mg group subset_Cl id 5 6 7 8 9 10 11 12 8 atoms in group subset_Cl group subset_O(H2O) id 13 16 19 22 25 28 31 34 37 40 10 atoms in group subset_O(H2O) group subset_O(H2O) id 43 46 49 52 55 58 61 64 67 70 20 atoms in group subset_O(H2O) group subset_O(H2O) id 73 76 79 82 85 88 91 94 97 100 30 atoms in group subset_O(H2O) group subset_O(H2O) id 103 106 109 112 115 118 121 124 127 130 40 atoms in group subset_O(H2O) group subset_O(H2O) id 133 136 139 142 145 148 151 154 157 160 50 atoms in group subset_O(H2O) group subset_O(H2O) id 163 166 169 172 175 178 181 184 187 190 60 atoms in group subset_O(H2O) group subset_O(H2O) id 193 196 199 202 205 208 211 214 217 220 70 atoms in group subset_O(H2O) group subset_O(H2O) id 223 226 229 232 235 238 241 244 247 250 80 atoms in group subset_O(H2O) group subset_O(H2O) id 253 256 259 262 265 268 271 274 277 280 90 atoms in group subset_O(H2O) group subset_O(H2O) id 283 286 289 292 295 298 301 304 307 310 100 atoms in group subset_O(H2O) group subset_O(H2O) id 313 316 319 322 325 328 331 334 337 340 110 atoms in group subset_O(H2O) group subset_O(H2O) id 343 346 349 352 355 358 361 364 367 370 120 atoms in group subset_O(H2O) group subset_O(H2O) id 373 376 379 382 385 388 391 394 397 400 130 atoms in group subset_O(H2O) group subset_O(H2O) id 403 406 409 412 415 418 421 424 427 430 140 atoms in group subset_O(H2O) group subset_O(H2O) id 433 436 439 442 445 448 451 454 457 460 150 atoms in group subset_O(H2O) group subset_O(H2O) id 463 466 469 472 475 478 481 484 487 490 160 atoms in group subset_O(H2O) group subset_O(H2O) id 493 496 499 502 505 508 511 514 517 520 170 atoms in group subset_O(H2O) group subset_O(H2O) id 523 526 529 532 535 538 541 544 547 550 180 atoms in group subset_O(H2O) group subset_O(H2O) id 553 556 559 562 565 568 571 574 577 580 190 atoms in group subset_O(H2O) group subset_O(H2O) id 583 586 589 592 595 598 601 604 607 610 200 atoms in group subset_O(H2O) group subset_O(H2O) id 613 616 619 622 625 628 631 634 637 640 210 atoms in group subset_O(H2O) group subset_O(H2O) id 643 646 649 652 655 658 661 664 667 670 220 atoms in group subset_O(H2O) group subset_O(H2O) id 673 676 679 682 685 688 691 694 697 700 230 atoms in group subset_O(H2O) group subset_O(H2O) id 703 706 709 712 715 718 721 724 727 730 240 atoms in group subset_O(H2O) group subset_O(H2O) id 733 736 739 742 745 748 751 754 757 760 250 atoms in group subset_O(H2O) group subset_O(H2O) id 763 766 769 772 775 778 781 784 787 790 260 atoms in group subset_O(H2O) group subset_O(H2O) id 793 796 799 802 805 808 811 814 817 820 270 atoms in group subset_O(H2O) group subset_O(H2O) id 823 826 829 832 835 838 841 844 847 850 280 atoms in group subset_O(H2O) group subset_O(H2O) id 853 856 859 862 865 868 871 874 877 880 290 atoms in group subset_O(H2O) group subset_O(H2O) id 883 886 889 892 895 898 901 904 907 910 300 atoms in group subset_O(H2O) group subset_O(H2O) id 913 916 919 922 925 928 931 934 937 940 310 atoms in group subset_O(H2O) group subset_O(H2O) id 943 946 949 952 955 958 961 964 967 970 320 atoms in group subset_O(H2O) group subset_O(H2O) id 973 976 979 982 985 988 991 994 997 1000 330 atoms in group subset_O(H2O) group subset_O(H2O) id 1003 1006 1009 1012 1015 1018 1021 1024 1027 1030 340 atoms in group subset_O(H2O) group subset_O(H2O) id 1033 1036 1039 1042 1045 1048 1051 1054 1057 1060 350 atoms in group subset_O(H2O) group subset_O(H2O) id 1063 1066 1069 1072 1075 1078 1081 1084 1087 1090 360 atoms in group subset_O(H2O) group subset_O(H2O) id 1093 1096 1099 1102 1105 1108 1111 1114 1117 1120 370 atoms in group subset_O(H2O) group subset_O(H2O) id 1123 1126 1129 1132 1135 1138 1141 1144 1147 1150 380 atoms in group subset_O(H2O) group subset_O(H2O) id 1153 1156 1159 1162 1165 1168 1171 1174 1177 1180 390 atoms in group subset_O(H2O) group subset_O(H2O) id 1183 1186 1189 1192 1195 1198 1201 1204 1207 1210 400 atoms in group subset_O(H2O) group subset_O(H2O) id 1213 1216 1219 1222 1225 1228 1231 1234 1237 1240 410 atoms in group subset_O(H2O) group subset_O(H2O) id 1243 1246 1249 1252 1255 1258 1261 1264 1267 1270 420 atoms in group subset_O(H2O) group subset_O(H2O) id 1273 1276 1279 1282 1285 1288 1291 1294 1297 1300 430 atoms in group subset_O(H2O) group subset_O(H2O) id 1303 1306 1309 1312 1315 1318 1321 1324 1327 1330 440 atoms in group subset_O(H2O) group subset_O(H2O) id 1333 1336 1339 1342 1345 1348 1351 1354 1357 1360 450 atoms in group subset_O(H2O) group subset_O(H2O) id 1363 1366 1369 1372 1375 1378 1381 1384 1387 1390 460 atoms in group subset_O(H2O) group subset_O(H2O) id 1393 1396 1399 1402 1405 1408 1411 1414 1417 1420 470 atoms in group subset_O(H2O) group subset_O(H2O) id 1423 1426 1429 1432 1435 1438 1441 1444 1447 1450 480 atoms in group subset_O(H2O) group subset_O(H2O) id 1453 1456 1459 1462 1465 1468 1471 1474 1477 1480 490 atoms in group subset_O(H2O) group subset_O(H2O) id 1483 1486 1489 1492 1495 1498 1501 1504 1507 1510 500 atoms in group subset_O(H2O) group subset_O(H2O) id 1513 1516 1519 1522 1525 1528 1531 1534 1537 1540 510 atoms in group subset_O(H2O) group subset_O(H2O) id 1543 1546 1549 1552 1555 1558 1561 1564 1567 1570 520 atoms in group subset_O(H2O) group subset_O(H2O) id 1573 1576 1579 1582 1585 1588 1591 1594 1597 1600 530 atoms in group subset_O(H2O) group subset_O(H2O) id 1603 1606 1609 1612 1615 1618 1621 1624 1627 1630 540 atoms in group subset_O(H2O) group subset_O(H2O) id 1633 1636 1639 1642 1645 1648 1651 1654 1657 1660 550 atoms in group subset_O(H2O) group subset_O(H2O) id 1663 1666 1669 1672 1675 1678 1681 1684 1687 1690 560 atoms in group subset_O(H2O) group subset_O(H2O) id 1693 1696 1699 1702 1705 1708 1711 1714 1717 1720 570 atoms in group subset_O(H2O) group subset_O(H2O) id 1723 1726 1729 1732 1735 1738 1741 1744 1747 1750 580 atoms in group subset_O(H2O) group subset_O(H2O) id 1753 1756 1759 1762 1765 1768 1771 1774 1777 1780 590 atoms in group subset_O(H2O) group subset_O(H2O) id 1783 1786 1789 1792 1795 1798 1801 1804 1807 1810 600 atoms in group subset_O(H2O) group subset_O(H2O) id 1813 1816 1819 1822 1825 1828 1831 1834 1837 1840 610 atoms in group subset_O(H2O) group subset_O(H2O) id 1843 1846 1849 1852 1855 1858 1861 1864 1867 1870 620 atoms in group subset_O(H2O) group subset_O(H2O) id 1873 1876 1879 1882 1885 1888 1891 1894 1897 1900 630 atoms in group subset_O(H2O) group subset_O(H2O) id 1903 1906 1909 1912 1915 1918 1921 1924 1927 1930 640 atoms in group subset_O(H2O) group subset_O(H2O) id 1933 1936 1939 1942 1945 1948 1951 1954 1957 1960 650 atoms in group subset_O(H2O) group subset_O(H2O) id 1963 1966 1969 1972 1975 1978 1981 1984 1987 1990 660 atoms in group subset_O(H2O) group subset_O(H2O) id 1993 1996 1999 2002 2005 2008 2011 2014 2017 2020 670 atoms in group subset_O(H2O) group subset_O(H2O) id 2023 2026 2029 2032 2035 2038 2041 2044 2047 2050 680 atoms in group subset_O(H2O) group subset_O(H2O) id 2053 2056 2059 2062 2065 2068 2071 2074 2077 2080 690 atoms in group subset_O(H2O) group subset_O(H2O) id 2083 2086 2089 2092 2095 2098 2101 2104 2107 2110 700 atoms in group subset_O(H2O) group subset_O(H2O) id 2113 2116 2119 2122 2125 2128 2131 2134 2137 2140 710 atoms in group subset_O(H2O) group subset_O(H2O) id 2143 2146 2149 2152 2155 2158 2161 2164 2167 2170 720 atoms in group subset_O(H2O) group subset_O(H2O) id 2173 2176 2179 2182 2185 2188 2191 2194 2197 2200 730 atoms in group subset_O(H2O) group subset_O(H2O) id 2203 2206 2209 2212 2215 2218 2221 2224 2227 2230 740 atoms in group subset_O(H2O) group subset_O(H2O) id 2233 2236 2239 2242 2245 2248 2251 2254 2257 2260 750 atoms in group subset_O(H2O) group subset_O(H2O) id 2263 2266 2269 2272 2275 2278 2281 2284 2287 2290 760 atoms in group subset_O(H2O) group subset_O(H2O) id 2293 2296 2299 2302 2305 2308 2311 2314 2317 2320 770 atoms in group subset_O(H2O) group subset_O(H2O) id 2323 2326 2329 2332 2335 2338 2341 2344 2347 2350 780 atoms in group subset_O(H2O) group subset_O(H2O) id 2353 2356 2359 2362 2365 2368 2371 2374 2377 2380 790 atoms in group subset_O(H2O) group subset_O(H2O) id 2383 2386 2389 2392 2395 2398 2401 2404 2407 2410 800 atoms in group subset_O(H2O) group subset_O(H2O) id 2413 2416 2419 2422 2425 2428 2431 2434 2437 2440 810 atoms in group subset_O(H2O) group subset_O(H2O) id 2443 2446 2449 2452 2455 2458 2461 2464 2467 2470 820 atoms in group subset_O(H2O) group subset_O(H2O) id 2473 2476 2479 2482 2485 2488 2491 2494 2497 2500 830 atoms in group subset_O(H2O) group subset_O(H2O) id 2503 2506 2509 2512 2515 2518 2521 2524 2527 2530 840 atoms in group subset_O(H2O) group subset_O(H2O) id 2533 2536 2539 2542 2545 2548 2551 2554 2557 2560 850 atoms in group subset_O(H2O) group subset_O(H2O) id 2563 2566 2569 2572 2575 2578 2581 2584 2587 2590 860 atoms in group subset_O(H2O) group subset_O(H2O) id 2593 2596 2599 2602 2605 2608 2611 2614 2617 2620 870 atoms in group subset_O(H2O) group subset_O(H2O) id 2623 2626 2629 2632 2635 2638 2641 2644 2647 2650 880 atoms in group subset_O(H2O) group subset_O(H2O) id 2653 2656 2659 2662 2665 2668 2671 2674 2677 2680 890 atoms in group subset_O(H2O) group subset_O(H2O) id 2683 2686 2689 2692 2695 2698 2701 2704 2707 2710 900 atoms in group subset_O(H2O) group subset_O(H2O) id 2713 2716 2719 2722 2725 2728 2731 2734 2737 2740 910 atoms in group subset_O(H2O) group subset_O(H2O) id 2743 2746 2749 2752 2755 2758 2761 2764 2767 2770 920 atoms in group subset_O(H2O) group subset_O(H2O) id 2773 2776 2779 2782 2785 2788 2791 2794 2797 2800 930 atoms in group subset_O(H2O) group subset_O(H2O) id 2803 2806 2809 2812 2815 2818 2821 2824 2827 2830 940 atoms in group subset_O(H2O) group subset_O(H2O) id 2833 2836 2839 2842 2845 2848 2851 2854 2857 2860 950 atoms in group subset_O(H2O) group subset_O(H2O) id 2863 2866 2869 2872 2875 2878 2881 2884 2887 2890 960 atoms in group subset_O(H2O) group subset_O(H2O) id 2893 2896 2899 2902 2905 2908 2911 2914 2917 2920 970 atoms in group subset_O(H2O) group subset_O(H2O) id 2923 2926 2929 2932 2935 2938 2941 2944 2947 2950 980 atoms in group subset_O(H2O) group subset_O(H2O) id 2953 2956 2959 2962 2965 2968 2971 2974 2977 2980 990 atoms in group subset_O(H2O) group subset_O(H2O) id 2983 2986 2989 2992 2995 2998 3001 3004 3007 3010 1000 atoms in group subset_O(H2O) group subset_O(H2O) id 3013 3016 3019 3022 3025 3028 3031 3034 3037 3040 1010 atoms in group subset_O(H2O) group subset_O(H2O) id 3043 3046 3049 3052 3055 3058 3061 3064 3067 3070 1020 atoms in group subset_O(H2O) group subset_O(H2O) id 3073 3076 3079 3082 3085 3088 3091 3094 3097 3100 1030 atoms in group subset_O(H2O) group subset_O(H2O) id 3103 3106 3109 3112 3115 3118 3121 3124 3127 3130 1040 atoms in group subset_O(H2O) group subset_O(H2O) id 3133 3136 3139 3142 3145 3148 3151 3154 3157 3160 1050 atoms in group subset_O(H2O) group subset_O(H2O) id 3163 3166 3169 3172 3175 3178 3181 3184 3187 3190 1060 atoms in group subset_O(H2O) group subset_O(H2O) id 3193 3196 3199 3202 3205 3208 3211 3214 3217 3220 1070 atoms in group subset_O(H2O) group subset_O(H2O) id 3223 3226 3229 3232 3235 3238 3241 3244 3247 3250 1080 atoms in group subset_O(H2O) group subset_O(H2O) id 3253 3256 3259 3262 3265 3268 3271 3274 3277 3280 1090 atoms in group subset_O(H2O) group subset_O(H2O) id 3283 3286 3289 3292 3295 3298 3301 3304 3307 3310 1100 atoms in group subset_O(H2O) group subset_O(H2O) id 3313 3316 3319 3322 3325 3328 3331 3334 3337 3340 1110 atoms in group subset_O(H2O) group subset_O(H2O) id 3343 3346 3349 3352 3355 3358 3361 3364 3367 3370 1120 atoms in group subset_O(H2O) group subset_O(H2O) id 3373 3376 3379 3382 3385 3388 3391 3394 3397 3400 1130 atoms in group subset_O(H2O) group subset_O(H2O) id 3403 3406 3409 3412 3415 3418 3421 3424 3427 3430 1140 atoms in group subset_O(H2O) group subset_O(H2O) id 3433 3436 3439 3442 3445 3448 3451 3454 3457 3460 1150 atoms in group subset_O(H2O) group subset_O(H2O) id 3463 3466 3469 3472 3475 3478 3481 3484 3487 3490 1160 atoms in group subset_O(H2O) group subset_O(H2O) id 3493 3496 3499 3502 3505 3508 3511 3514 3517 3520 1170 atoms in group subset_O(H2O) group subset_O(H2O) id 3523 3526 3529 3532 3535 3538 3541 3544 3547 3550 1180 atoms in group subset_O(H2O) group subset_O(H2O) id 3553 3556 3559 3562 3565 3568 3571 3574 3577 3580 1190 atoms in group subset_O(H2O) group subset_O(H2O) id 3583 3586 3589 3592 3595 3598 3601 3604 3607 3610 1200 atoms in group subset_O(H2O) group subset_O(H2O) id 3613 3616 3619 3622 3625 3628 3631 3634 3637 3640 1210 atoms in group subset_O(H2O) group subset_O(H2O) id 3643 3646 3649 3652 3655 3658 3661 3664 3667 3670 1220 atoms in group subset_O(H2O) group subset_O(H2O) id 3673 3676 3679 3682 3685 3688 3691 3694 3697 3700 1230 atoms in group subset_O(H2O) group subset_O(H2O) id 3703 3706 3709 3712 3715 3718 3721 3724 3727 3730 1240 atoms in group subset_O(H2O) group subset_O(H2O) id 3733 3736 3739 3742 3745 3748 3751 3754 3757 3760 1250 atoms in group subset_O(H2O) group subset_O(H2O) id 3763 3766 3769 3772 3775 3778 3781 3784 3787 3790 1260 atoms in group subset_O(H2O) group subset_O(H2O) id 3793 3796 3799 3802 3805 3808 3811 3814 3817 3820 1270 atoms in group subset_O(H2O) group subset_O(H2O) id 3823 3826 3829 3832 3835 3838 3841 3844 3847 3850 1280 atoms in group subset_O(H2O) group subset_O(H2O) id 3853 3856 3859 3862 3865 3868 3871 3874 3877 3880 1290 atoms in group subset_O(H2O) group subset_O(H2O) id 3883 3886 3889 3892 3895 3898 3901 3904 3907 3910 1300 atoms in group subset_O(H2O) group subset_O(H2O) id 3913 3916 3919 3922 3925 3928 3931 3934 3937 3940 1310 atoms in group subset_O(H2O) group subset_O(H2O) id 3943 3946 3949 3952 3955 3958 3961 3964 3967 3970 1320 atoms in group subset_O(H2O) group subset_O(H2O) id 3973 3976 3979 3982 3985 3988 3991 3994 3997 4000 1330 atoms in group subset_O(H2O) group subset_O(H2O) id 4003 4006 4009 4012 4015 4018 4021 4024 4027 4030 1340 atoms in group subset_O(H2O) group subset_O(H2O) id 4033 4036 4039 4042 4045 4048 4051 4054 4057 4060 1350 atoms in group subset_O(H2O) group subset_O(H2O) id 4063 4066 4069 4072 4075 4078 4081 4084 4087 4090 1360 atoms in group subset_O(H2O) group subset_O(H2O) id 4093 4096 4099 4102 4105 4108 4111 4114 4117 4120 1370 atoms in group subset_O(H2O) group subset_O(H2O) id 4123 4126 4129 4132 4135 4138 4141 4144 4147 4150 1380 atoms in group subset_O(H2O) group subset_O(H2O) id 4153 4156 4159 4162 4165 4168 4171 4174 4177 4180 1390 atoms in group subset_O(H2O) group subset_O(H2O) id 4183 4186 4189 4192 4195 4198 4201 4204 4207 4210 1400 atoms in group subset_O(H2O) group subset_O(H2O) id 4213 4216 4219 4222 4225 4228 4231 4234 4237 4240 1410 atoms in group subset_O(H2O) group subset_O(H2O) id 4243 4246 4249 4252 4255 4258 4261 4264 4267 4270 1420 atoms in group subset_O(H2O) group subset_O(H2O) id 4273 4276 4279 4282 4285 4288 4291 4294 4297 4300 1430 atoms in group subset_O(H2O) group subset_O(H2O) id 4303 4306 4309 4312 4315 4318 4321 4324 4327 4330 1440 atoms in group subset_O(H2O) group subset_O(H2O) id 4333 4336 4339 4342 4345 4348 4351 4354 4357 4360 1450 atoms in group subset_O(H2O) group subset_O(H2O) id 4363 4366 4369 4372 4375 4378 4381 4384 4387 4390 1460 atoms in group subset_O(H2O) group subset_O(H2O) id 4393 4396 4399 4402 4405 4408 4411 4414 4417 4420 1470 atoms in group subset_O(H2O) group subset_O(H2O) id 4423 4426 4429 4432 4435 4438 4441 4444 4447 4450 1480 atoms in group subset_O(H2O) group subset_O(H2O) id 4453 4456 4459 4462 4465 4468 4471 4474 4477 4480 1490 atoms in group subset_O(H2O) group subset_O(H2O) id 4483 4486 4489 4492 4495 4498 4501 4504 4507 4510 1500 atoms in group subset_O(H2O) group subset_O(H2O) id 4513 4516 4519 4522 4525 4528 4531 4534 4537 4540 1510 atoms in group subset_O(H2O) group subset_O(H2O) id 4543 4546 4549 4552 4555 4558 4561 4564 4567 4570 1520 atoms in group subset_O(H2O) group subset_O(H2O) id 4573 4576 4579 4582 4585 4588 4591 4594 4597 4600 1530 atoms in group subset_O(H2O) group subset_O(H2O) id 4603 4606 4609 4612 4615 4618 4621 4624 4627 4630 1540 atoms in group subset_O(H2O) group subset_O(H2O) id 4633 4636 4639 4642 4645 4648 4651 4654 4657 4660 1550 atoms in group subset_O(H2O) group subset_O(H2O) id 4663 4666 4669 4672 4675 4678 4681 4684 4687 4690 1560 atoms in group subset_O(H2O) group subset_O(H2O) id 4693 4696 4699 4702 4705 4708 4711 4714 4717 4720 1570 atoms in group subset_O(H2O) group subset_O(H2O) id 4723 4726 4729 4732 4735 4738 4741 4744 4747 4750 1580 atoms in group subset_O(H2O) group subset_O(H2O) id 4753 4756 4759 4762 4765 4768 4771 4774 4777 4780 1590 atoms in group subset_O(H2O) group subset_O(H2O) id 4783 4786 4789 4792 4795 4798 4801 4804 4807 4810 1600 atoms in group subset_O(H2O) group subset_O(H2O) id 4813 4816 4819 4822 4825 4828 4831 4834 4837 4840 1610 atoms in group subset_O(H2O) group subset_O(H2O) id 4843 4846 4849 4852 4855 4858 4861 4864 4867 4870 1620 atoms in group subset_O(H2O) group subset_O(H2O) id 4873 4876 4879 4882 4885 4888 4891 4894 4897 4900 1630 atoms in group subset_O(H2O) group subset_O(H2O) id 4903 4906 4909 4912 4915 4918 4921 4924 4927 4930 1640 atoms in group subset_O(H2O) group subset_O(H2O) id 4933 4936 4939 4942 4945 4948 4951 4954 4957 4960 1650 atoms in group subset_O(H2O) group subset_O(H2O) id 4963 4966 4969 4972 4975 4978 4981 4984 4987 4990 1660 atoms in group subset_O(H2O) group subset_O(H2O) id 4993 4996 4999 5002 5005 5008 5011 5014 5017 5020 1670 atoms in group subset_O(H2O) group subset_O(H2O) id 5023 5026 5029 5032 5035 5038 5041 5044 5047 5050 1680 atoms in group subset_O(H2O) group subset_O(H2O) id 5053 5056 5059 5062 5065 5068 5071 5074 5077 5080 1690 atoms in group subset_O(H2O) group subset_O(H2O) id 5083 5086 5089 5092 5095 5098 5101 5104 5107 5110 1700 atoms in group subset_O(H2O) group subset_O(H2O) id 5113 5116 5119 5122 5125 5128 5131 5134 5137 5140 1710 atoms in group subset_O(H2O) group subset_O(H2O) id 5143 5146 5149 5152 5155 5158 5161 5164 5167 5170 1720 atoms in group subset_O(H2O) group subset_O(H2O) id 5173 5176 5179 5182 5185 5188 5191 5194 5197 5200 1730 atoms in group subset_O(H2O) group subset_O(H2O) id 5203 5206 5209 5212 5215 5218 5221 5224 5227 5230 1740 atoms in group subset_O(H2O) group subset_O(H2O) id 5233 5236 5239 5242 5245 5248 5251 5254 5257 5260 1750 atoms in group subset_O(H2O) group subset_O(H2O) id 5263 5266 5269 5272 5275 5278 5281 5284 5287 5290 1760 atoms in group subset_O(H2O) group subset_O(H2O) id 5293 5296 5299 5302 5305 5308 5311 5314 5317 5320 1770 atoms in group subset_O(H2O) group subset_O(H2O) id 5323 5326 5329 5332 5335 5338 5341 5344 5347 5350 1780 atoms in group subset_O(H2O) group subset_O(H2O) id 5353 5356 5359 5362 5365 5368 5371 5374 5377 5380 1790 atoms in group subset_O(H2O) group subset_O(H2O) id 5383 5386 5389 5392 5395 5398 5401 5404 5407 5410 1800 atoms in group subset_O(H2O) group subset_O(H2O) id 5413 5416 5419 5422 5425 5428 5431 5434 5437 5440 1810 atoms in group subset_O(H2O) group subset_O(H2O) id 5443 5446 5449 5452 5455 5458 5461 5464 5467 5470 1820 atoms in group subset_O(H2O) group subset_O(H2O) id 5473 5476 5479 5482 5485 5488 5491 5494 5497 5500 1830 atoms in group subset_O(H2O) group subset_O(H2O) id 5503 5506 5509 5512 5515 5518 5521 5524 5527 5530 1840 atoms in group subset_O(H2O) group subset_O(H2O) id 5533 5536 5539 5542 5545 5548 5551 5554 5557 5560 1850 atoms in group subset_O(H2O) group subset_O(H2O) id 5563 5566 5569 5572 5575 5578 5581 5584 5587 5590 1860 atoms in group subset_O(H2O) group subset_O(H2O) id 5593 5596 5599 5602 5605 5608 5611 5614 5617 5620 1870 atoms in group subset_O(H2O) group subset_O(H2O) id 5623 5626 5629 5632 5635 5638 5641 5644 5647 5650 1880 atoms in group subset_O(H2O) group subset_O(H2O) id 5653 5656 5659 5662 5665 5668 5671 5674 5677 5680 1890 atoms in group subset_O(H2O) group subset_O(H2O) id 5683 5686 5689 5692 5695 5698 5701 5704 5707 5710 1900 atoms in group subset_O(H2O) group subset_O(H2O) id 5713 5716 5719 5722 5725 5728 5731 5734 5737 5740 1910 atoms in group subset_O(H2O) group subset_O(H2O) id 5743 5746 5749 5752 5755 5758 5761 5764 5767 5770 1920 atoms in group subset_O(H2O) group subset_O(H2O) id 5773 5776 5779 5782 5785 5788 5791 5794 5797 5800 1930 atoms in group subset_O(H2O) group subset_O(H2O) id 5803 5806 5809 5812 5815 5818 5821 5824 5827 5830 1940 atoms in group subset_O(H2O) group subset_O(H2O) id 5833 5836 5839 5842 5845 5848 5851 5854 5857 5860 1950 atoms in group subset_O(H2O) group subset_O(H2O) id 5863 5866 5869 5872 5875 5878 5881 5884 5887 5890 1960 atoms in group subset_O(H2O) group subset_O(H2O) id 5893 5896 5899 5902 5905 5908 5911 5914 5917 5920 1970 atoms in group subset_O(H2O) group subset_O(H2O) id 5923 5926 5929 5932 5935 5938 5941 5944 5947 5950 1980 atoms in group subset_O(H2O) group subset_O(H2O) id 5953 5956 5959 5962 5965 5968 5971 5974 5977 5980 1990 atoms in group subset_O(H2O) group subset_O(H2O) id 5983 5986 5989 5992 5995 5998 6001 6004 6007 6010 2000 atoms in group subset_O(H2O) group subset_O(H2O) id 6013 6016 6019 6022 6025 6028 6031 6034 6037 6040 2010 atoms in group subset_O(H2O) group subset_O(H2O) id 6043 6046 6049 6052 6055 6058 6061 6064 6067 6070 2020 atoms in group subset_O(H2O) group subset_O(H2O) id 6073 6076 6079 6082 6085 6088 6091 6094 6097 6100 2030 atoms in group subset_O(H2O) group subset_O(H2O) id 6103 6106 6109 6112 6115 6118 6121 6124 6127 6130 2040 atoms in group subset_O(H2O) group subset_O(H2O) id 6133 6136 6139 6142 6145 6148 6151 6154 6157 6160 2050 atoms in group subset_O(H2O) group subset_O(H2O) id 6163 6166 6169 6172 6175 6178 6181 6184 6187 6190 2060 atoms in group subset_O(H2O) group subset_O(H2O) id 6193 6196 6199 6202 6205 6208 6211 6214 6217 6220 2070 atoms in group subset_O(H2O) group subset_O(H2O) id 6223 6226 6229 6232 6235 6238 6241 6244 6247 6250 2080 atoms in group subset_O(H2O) group subset_O(H2O) id 6253 6256 6259 6262 6265 6268 6271 6274 6277 6280 2090 atoms in group subset_O(H2O) group subset_O(H2O) id 6283 6286 6289 6292 6295 6298 6301 6304 6307 6310 2100 atoms in group subset_O(H2O) group subset_O(H2O) id 6313 6316 6319 6322 6325 6328 6331 6334 6337 6340 2110 atoms in group subset_O(H2O) group subset_O(H2O) id 6343 6346 6349 6352 6355 6358 6361 6364 6367 6370 2120 atoms in group subset_O(H2O) group subset_O(H2O) id 6373 6376 6379 6382 6385 6388 6391 6394 6397 6400 2130 atoms in group subset_O(H2O) group subset_O(H2O) id 6403 6406 6409 6412 6415 6418 6421 6424 6427 6430 2140 atoms in group subset_O(H2O) group subset_O(H2O) id 6433 6436 6439 6442 6445 6448 6451 6454 6457 6460 2150 atoms in group subset_O(H2O) group subset_O(H2O) id 6463 6466 6469 6472 6475 6478 6481 6484 6487 6490 2160 atoms in group subset_O(H2O) group subset_O(H2O) id 6493 6496 6499 6502 6505 6508 6511 6514 6517 6520 2170 atoms in group subset_O(H2O) group subset_O(H2O) id 6523 6526 6529 6532 6535 6538 6541 6544 6547 6550 2180 atoms in group subset_O(H2O) group subset_O(H2O) id 6553 6556 6559 6562 6565 6568 6571 6574 6577 6580 2190 atoms in group subset_O(H2O) group subset_O(H2O) id 6583 6586 6589 6592 6595 6598 6601 6604 6607 6610 2200 atoms in group subset_O(H2O) group subset_O(H2O) id 6613 6616 6619 6622 6625 6628 6631 6634 6637 6640 2210 atoms in group subset_O(H2O) group subset_O(H2O) id 6643 6646 6649 6652 6655 6658 6661 6664 6667 6670 2220 atoms in group subset_O(H2O) group subset_H(H2O) id 14 15 17 18 20 21 23 24 26 27 10 atoms in group subset_H(H2O) group subset_H(H2O) id 29 30 32 33 35 36 38 39 41 42 20 atoms in group subset_H(H2O) group subset_H(H2O) id 44 45 47 48 50 51 53 54 56 57 30 atoms in group subset_H(H2O) group subset_H(H2O) id 59 60 62 63 65 66 68 69 71 72 40 atoms in group subset_H(H2O) group subset_H(H2O) id 74 75 77 78 80 81 83 84 86 87 50 atoms in group subset_H(H2O) group subset_H(H2O) id 89 90 92 93 95 96 98 99 101 102 60 atoms in group subset_H(H2O) group subset_H(H2O) id 104 105 107 108 110 111 113 114 116 117 70 atoms in group subset_H(H2O) group subset_H(H2O) id 119 120 122 123 125 126 128 129 131 132 80 atoms in group subset_H(H2O) group subset_H(H2O) id 134 135 137 138 140 141 143 144 146 147 90 atoms in group subset_H(H2O) group subset_H(H2O) id 149 150 152 153 155 156 158 159 161 162 100 atoms in group subset_H(H2O) group subset_H(H2O) id 164 165 167 168 170 171 173 174 176 177 110 atoms in group subset_H(H2O) group subset_H(H2O) id 179 180 182 183 185 186 188 189 191 192 120 atoms in group subset_H(H2O) group subset_H(H2O) id 194 195 197 198 200 201 203 204 206 207 130 atoms in group subset_H(H2O) group subset_H(H2O) id 209 210 212 213 215 216 218 219 221 222 140 atoms in group subset_H(H2O) group subset_H(H2O) id 224 225 227 228 230 231 233 234 236 237 150 atoms in group subset_H(H2O) group subset_H(H2O) id 239 240 242 243 245 246 248 249 251 252 160 atoms in group subset_H(H2O) group subset_H(H2O) id 254 255 257 258 260 261 263 264 266 267 170 atoms in group subset_H(H2O) group subset_H(H2O) id 269 270 272 273 275 276 278 279 281 282 180 atoms in group subset_H(H2O) group subset_H(H2O) id 284 285 287 288 290 291 293 294 296 297 190 atoms in group subset_H(H2O) group subset_H(H2O) id 299 300 302 303 305 306 308 309 311 312 200 atoms in group subset_H(H2O) group subset_H(H2O) id 314 315 317 318 320 321 323 324 326 327 210 atoms in group subset_H(H2O) group subset_H(H2O) id 329 330 332 333 335 336 338 339 341 342 220 atoms in group subset_H(H2O) group subset_H(H2O) id 344 345 347 348 350 351 353 354 356 357 230 atoms in group subset_H(H2O) group subset_H(H2O) id 359 360 362 363 365 366 368 369 371 372 240 atoms in group subset_H(H2O) group subset_H(H2O) id 374 375 377 378 380 381 383 384 386 387 250 atoms in group subset_H(H2O) group subset_H(H2O) id 389 390 392 393 395 396 398 399 401 402 260 atoms in group subset_H(H2O) group subset_H(H2O) id 404 405 407 408 410 411 413 414 416 417 270 atoms in group subset_H(H2O) group subset_H(H2O) id 419 420 422 423 425 426 428 429 431 432 280 atoms in group subset_H(H2O) group subset_H(H2O) id 434 435 437 438 440 441 443 444 446 447 290 atoms in group subset_H(H2O) group subset_H(H2O) id 449 450 452 453 455 456 458 459 461 462 300 atoms in group subset_H(H2O) group subset_H(H2O) id 464 465 467 468 470 471 473 474 476 477 310 atoms in group subset_H(H2O) group subset_H(H2O) id 479 480 482 483 485 486 488 489 491 492 320 atoms in group subset_H(H2O) group subset_H(H2O) id 494 495 497 498 500 501 503 504 506 507 330 atoms in group subset_H(H2O) group subset_H(H2O) id 509 510 512 513 515 516 518 519 521 522 340 atoms in group subset_H(H2O) group subset_H(H2O) id 524 525 527 528 530 531 533 534 536 537 350 atoms in group subset_H(H2O) group subset_H(H2O) id 539 540 542 543 545 546 548 549 551 552 360 atoms in group subset_H(H2O) group subset_H(H2O) id 554 555 557 558 560 561 563 564 566 567 370 atoms in group subset_H(H2O) group subset_H(H2O) id 569 570 572 573 575 576 578 579 581 582 380 atoms in group subset_H(H2O) group subset_H(H2O) id 584 585 587 588 590 591 593 594 596 597 390 atoms in group subset_H(H2O) group subset_H(H2O) id 599 600 602 603 605 606 608 609 611 612 400 atoms in group subset_H(H2O) group subset_H(H2O) id 614 615 617 618 620 621 623 624 626 627 410 atoms in group subset_H(H2O) group subset_H(H2O) id 629 630 632 633 635 636 638 639 641 642 420 atoms in group subset_H(H2O) group subset_H(H2O) id 644 645 647 648 650 651 653 654 656 657 430 atoms in group subset_H(H2O) group subset_H(H2O) id 659 660 662 663 665 666 668 669 671 672 440 atoms in group subset_H(H2O) group subset_H(H2O) id 674 675 677 678 680 681 683 684 686 687 450 atoms in group subset_H(H2O) group subset_H(H2O) id 689 690 692 693 695 696 698 699 701 702 460 atoms in group subset_H(H2O) group subset_H(H2O) id 704 705 707 708 710 711 713 714 716 717 470 atoms in group subset_H(H2O) group subset_H(H2O) id 719 720 722 723 725 726 728 729 731 732 480 atoms in group subset_H(H2O) group subset_H(H2O) id 734 735 737 738 740 741 743 744 746 747 490 atoms in group subset_H(H2O) group subset_H(H2O) id 749 750 752 753 755 756 758 759 761 762 500 atoms in group subset_H(H2O) group subset_H(H2O) id 764 765 767 768 770 771 773 774 776 777 510 atoms in group subset_H(H2O) group subset_H(H2O) id 779 780 782 783 785 786 788 789 791 792 520 atoms in group subset_H(H2O) group subset_H(H2O) id 794 795 797 798 800 801 803 804 806 807 530 atoms in group subset_H(H2O) group subset_H(H2O) id 809 810 812 813 815 816 818 819 821 822 540 atoms in group subset_H(H2O) group subset_H(H2O) id 824 825 827 828 830 831 833 834 836 837 550 atoms in group subset_H(H2O) group subset_H(H2O) id 839 840 842 843 845 846 848 849 851 852 560 atoms in group subset_H(H2O) group subset_H(H2O) id 854 855 857 858 860 861 863 864 866 867 570 atoms in group subset_H(H2O) group subset_H(H2O) id 869 870 872 873 875 876 878 879 881 882 580 atoms in group subset_H(H2O) group subset_H(H2O) id 884 885 887 888 890 891 893 894 896 897 590 atoms in group subset_H(H2O) group subset_H(H2O) id 899 900 902 903 905 906 908 909 911 912 600 atoms in group subset_H(H2O) group subset_H(H2O) id 914 915 917 918 920 921 923 924 926 927 610 atoms in group subset_H(H2O) group subset_H(H2O) id 929 930 932 933 935 936 938 939 941 942 620 atoms in group subset_H(H2O) group subset_H(H2O) id 944 945 947 948 950 951 953 954 956 957 630 atoms in group subset_H(H2O) group subset_H(H2O) id 959 960 962 963 965 966 968 969 971 972 640 atoms in group subset_H(H2O) group subset_H(H2O) id 974 975 977 978 980 981 983 984 986 987 650 atoms in group subset_H(H2O) group subset_H(H2O) id 989 990 992 993 995 996 998 999 1001 1002 660 atoms in group subset_H(H2O) group subset_H(H2O) id 1004 1005 1007 1008 1010 1011 1013 1014 1016 1017 670 atoms in group subset_H(H2O) group subset_H(H2O) id 1019 1020 1022 1023 1025 1026 1028 1029 1031 1032 680 atoms in group subset_H(H2O) group subset_H(H2O) id 1034 1035 1037 1038 1040 1041 1043 1044 1046 1047 690 atoms in group subset_H(H2O) group subset_H(H2O) id 1049 1050 1052 1053 1055 1056 1058 1059 1061 1062 700 atoms in group subset_H(H2O) group subset_H(H2O) id 1064 1065 1067 1068 1070 1071 1073 1074 1076 1077 710 atoms in group subset_H(H2O) group subset_H(H2O) id 1079 1080 1082 1083 1085 1086 1088 1089 1091 1092 720 atoms in group subset_H(H2O) group subset_H(H2O) id 1094 1095 1097 1098 1100 1101 1103 1104 1106 1107 730 atoms in group subset_H(H2O) group subset_H(H2O) id 1109 1110 1112 1113 1115 1116 1118 1119 1121 1122 740 atoms in group subset_H(H2O) group subset_H(H2O) id 1124 1125 1127 1128 1130 1131 1133 1134 1136 1137 750 atoms in group subset_H(H2O) group subset_H(H2O) id 1139 1140 1142 1143 1145 1146 1148 1149 1151 1152 760 atoms in group subset_H(H2O) group subset_H(H2O) id 1154 1155 1157 1158 1160 1161 1163 1164 1166 1167 770 atoms in group subset_H(H2O) group subset_H(H2O) id 1169 1170 1172 1173 1175 1176 1178 1179 1181 1182 780 atoms in group subset_H(H2O) group subset_H(H2O) id 1184 1185 1187 1188 1190 1191 1193 1194 1196 1197 790 atoms in group subset_H(H2O) group subset_H(H2O) id 1199 1200 1202 1203 1205 1206 1208 1209 1211 1212 800 atoms in group subset_H(H2O) group subset_H(H2O) id 1214 1215 1217 1218 1220 1221 1223 1224 1226 1227 810 atoms in group subset_H(H2O) group subset_H(H2O) id 1229 1230 1232 1233 1235 1236 1238 1239 1241 1242 820 atoms in group subset_H(H2O) group subset_H(H2O) id 1244 1245 1247 1248 1250 1251 1253 1254 1256 1257 830 atoms in group subset_H(H2O) group subset_H(H2O) id 1259 1260 1262 1263 1265 1266 1268 1269 1271 1272 840 atoms in group subset_H(H2O) group subset_H(H2O) id 1274 1275 1277 1278 1280 1281 1283 1284 1286 1287 850 atoms in group subset_H(H2O) group subset_H(H2O) id 1289 1290 1292 1293 1295 1296 1298 1299 1301 1302 860 atoms in group subset_H(H2O) group subset_H(H2O) id 1304 1305 1307 1308 1310 1311 1313 1314 1316 1317 870 atoms in group subset_H(H2O) group subset_H(H2O) id 1319 1320 1322 1323 1325 1326 1328 1329 1331 1332 880 atoms in group subset_H(H2O) group subset_H(H2O) id 1334 1335 1337 1338 1340 1341 1343 1344 1346 1347 890 atoms in group subset_H(H2O) group subset_H(H2O) id 1349 1350 1352 1353 1355 1356 1358 1359 1361 1362 900 atoms in group subset_H(H2O) group subset_H(H2O) id 1364 1365 1367 1368 1370 1371 1373 1374 1376 1377 910 atoms in group subset_H(H2O) group subset_H(H2O) id 1379 1380 1382 1383 1385 1386 1388 1389 1391 1392 920 atoms in group subset_H(H2O) group subset_H(H2O) id 1394 1395 1397 1398 1400 1401 1403 1404 1406 1407 930 atoms in group subset_H(H2O) group subset_H(H2O) id 1409 1410 1412 1413 1415 1416 1418 1419 1421 1422 940 atoms in group subset_H(H2O) group subset_H(H2O) id 1424 1425 1427 1428 1430 1431 1433 1434 1436 1437 950 atoms in group subset_H(H2O) group subset_H(H2O) id 1439 1440 1442 1443 1445 1446 1448 1449 1451 1452 960 atoms in group subset_H(H2O) group subset_H(H2O) id 1454 1455 1457 1458 1460 1461 1463 1464 1466 1467 970 atoms in group subset_H(H2O) group subset_H(H2O) id 1469 1470 1472 1473 1475 1476 1478 1479 1481 1482 980 atoms in group subset_H(H2O) group subset_H(H2O) id 1484 1485 1487 1488 1490 1491 1493 1494 1496 1497 990 atoms in group subset_H(H2O) group subset_H(H2O) id 1499 1500 1502 1503 1505 1506 1508 1509 1511 1512 1000 atoms in group subset_H(H2O) group subset_H(H2O) id 1514 1515 1517 1518 1520 1521 1523 1524 1526 1527 1010 atoms in group subset_H(H2O) group subset_H(H2O) id 1529 1530 1532 1533 1535 1536 1538 1539 1541 1542 1020 atoms in group subset_H(H2O) group subset_H(H2O) id 1544 1545 1547 1548 1550 1551 1553 1554 1556 1557 1030 atoms in group subset_H(H2O) group subset_H(H2O) id 1559 1560 1562 1563 1565 1566 1568 1569 1571 1572 1040 atoms in group subset_H(H2O) group subset_H(H2O) id 1574 1575 1577 1578 1580 1581 1583 1584 1586 1587 1050 atoms in group subset_H(H2O) group subset_H(H2O) id 1589 1590 1592 1593 1595 1596 1598 1599 1601 1602 1060 atoms in group subset_H(H2O) group subset_H(H2O) id 1604 1605 1607 1608 1610 1611 1613 1614 1616 1617 1070 atoms in group subset_H(H2O) group subset_H(H2O) id 1619 1620 1622 1623 1625 1626 1628 1629 1631 1632 1080 atoms in group subset_H(H2O) group subset_H(H2O) id 1634 1635 1637 1638 1640 1641 1643 1644 1646 1647 1090 atoms in group subset_H(H2O) group subset_H(H2O) id 1649 1650 1652 1653 1655 1656 1658 1659 1661 1662 1100 atoms in group subset_H(H2O) group subset_H(H2O) id 1664 1665 1667 1668 1670 1671 1673 1674 1676 1677 1110 atoms in group subset_H(H2O) group subset_H(H2O) id 1679 1680 1682 1683 1685 1686 1688 1689 1691 1692 1120 atoms in group subset_H(H2O) group subset_H(H2O) id 1694 1695 1697 1698 1700 1701 1703 1704 1706 1707 1130 atoms in group subset_H(H2O) group subset_H(H2O) id 1709 1710 1712 1713 1715 1716 1718 1719 1721 1722 1140 atoms in group subset_H(H2O) group subset_H(H2O) id 1724 1725 1727 1728 1730 1731 1733 1734 1736 1737 1150 atoms in group subset_H(H2O) group subset_H(H2O) id 1739 1740 1742 1743 1745 1746 1748 1749 1751 1752 1160 atoms in group subset_H(H2O) group subset_H(H2O) id 1754 1755 1757 1758 1760 1761 1763 1764 1766 1767 1170 atoms in group subset_H(H2O) group subset_H(H2O) id 1769 1770 1772 1773 1775 1776 1778 1779 1781 1782 1180 atoms in group subset_H(H2O) group subset_H(H2O) id 1784 1785 1787 1788 1790 1791 1793 1794 1796 1797 1190 atoms in group subset_H(H2O) group subset_H(H2O) id 1799 1800 1802 1803 1805 1806 1808 1809 1811 1812 1200 atoms in group subset_H(H2O) group subset_H(H2O) id 1814 1815 1817 1818 1820 1821 1823 1824 1826 1827 1210 atoms in group subset_H(H2O) group subset_H(H2O) id 1829 1830 1832 1833 1835 1836 1838 1839 1841 1842 1220 atoms in group subset_H(H2O) group subset_H(H2O) id 1844 1845 1847 1848 1850 1851 1853 1854 1856 1857 1230 atoms in group subset_H(H2O) group subset_H(H2O) id 1859 1860 1862 1863 1865 1866 1868 1869 1871 1872 1240 atoms in group subset_H(H2O) group subset_H(H2O) id 1874 1875 1877 1878 1880 1881 1883 1884 1886 1887 1250 atoms in group subset_H(H2O) group subset_H(H2O) id 1889 1890 1892 1893 1895 1896 1898 1899 1901 1902 1260 atoms in group subset_H(H2O) group subset_H(H2O) id 1904 1905 1907 1908 1910 1911 1913 1914 1916 1917 1270 atoms in group subset_H(H2O) group subset_H(H2O) id 1919 1920 1922 1923 1925 1926 1928 1929 1931 1932 1280 atoms in group subset_H(H2O) group subset_H(H2O) id 1934 1935 1937 1938 1940 1941 1943 1944 1946 1947 1290 atoms in group subset_H(H2O) group subset_H(H2O) id 1949 1950 1952 1953 1955 1956 1958 1959 1961 1962 1300 atoms in group subset_H(H2O) group subset_H(H2O) id 1964 1965 1967 1968 1970 1971 1973 1974 1976 1977 1310 atoms in group subset_H(H2O) group subset_H(H2O) id 1979 1980 1982 1983 1985 1986 1988 1989 1991 1992 1320 atoms in group subset_H(H2O) group subset_H(H2O) id 1994 1995 1997 1998 2000 2001 2003 2004 2006 2007 1330 atoms in group subset_H(H2O) group subset_H(H2O) id 2009 2010 2012 2013 2015 2016 2018 2019 2021 2022 1340 atoms in group subset_H(H2O) group subset_H(H2O) id 2024 2025 2027 2028 2030 2031 2033 2034 2036 2037 1350 atoms in group subset_H(H2O) group subset_H(H2O) id 2039 2040 2042 2043 2045 2046 2048 2049 2051 2052 1360 atoms in group subset_H(H2O) group subset_H(H2O) id 2054 2055 2057 2058 2060 2061 2063 2064 2066 2067 1370 atoms in group subset_H(H2O) group subset_H(H2O) id 2069 2070 2072 2073 2075 2076 2078 2079 2081 2082 1380 atoms in group subset_H(H2O) group subset_H(H2O) id 2084 2085 2087 2088 2090 2091 2093 2094 2096 2097 1390 atoms in group subset_H(H2O) group subset_H(H2O) id 2099 2100 2102 2103 2105 2106 2108 2109 2111 2112 1400 atoms in group subset_H(H2O) group subset_H(H2O) id 2114 2115 2117 2118 2120 2121 2123 2124 2126 2127 1410 atoms in group subset_H(H2O) group subset_H(H2O) id 2129 2130 2132 2133 2135 2136 2138 2139 2141 2142 1420 atoms in group subset_H(H2O) group subset_H(H2O) id 2144 2145 2147 2148 2150 2151 2153 2154 2156 2157 1430 atoms in group subset_H(H2O) group subset_H(H2O) id 2159 2160 2162 2163 2165 2166 2168 2169 2171 2172 1440 atoms in group subset_H(H2O) group subset_H(H2O) id 2174 2175 2177 2178 2180 2181 2183 2184 2186 2187 1450 atoms in group subset_H(H2O) group subset_H(H2O) id 2189 2190 2192 2193 2195 2196 2198 2199 2201 2202 1460 atoms in group subset_H(H2O) group subset_H(H2O) id 2204 2205 2207 2208 2210 2211 2213 2214 2216 2217 1470 atoms in group subset_H(H2O) group subset_H(H2O) id 2219 2220 2222 2223 2225 2226 2228 2229 2231 2232 1480 atoms in group subset_H(H2O) group subset_H(H2O) id 2234 2235 2237 2238 2240 2241 2243 2244 2246 2247 1490 atoms in group subset_H(H2O) group subset_H(H2O) id 2249 2250 2252 2253 2255 2256 2258 2259 2261 2262 1500 atoms in group subset_H(H2O) group subset_H(H2O) id 2264 2265 2267 2268 2270 2271 2273 2274 2276 2277 1510 atoms in group subset_H(H2O) group subset_H(H2O) id 2279 2280 2282 2283 2285 2286 2288 2289 2291 2292 1520 atoms in group subset_H(H2O) group subset_H(H2O) id 2294 2295 2297 2298 2300 2301 2303 2304 2306 2307 1530 atoms in group subset_H(H2O) group subset_H(H2O) id 2309 2310 2312 2313 2315 2316 2318 2319 2321 2322 1540 atoms in group subset_H(H2O) group subset_H(H2O) id 2324 2325 2327 2328 2330 2331 2333 2334 2336 2337 1550 atoms in group subset_H(H2O) group subset_H(H2O) id 2339 2340 2342 2343 2345 2346 2348 2349 2351 2352 1560 atoms in group subset_H(H2O) group subset_H(H2O) id 2354 2355 2357 2358 2360 2361 2363 2364 2366 2367 1570 atoms in group subset_H(H2O) group subset_H(H2O) id 2369 2370 2372 2373 2375 2376 2378 2379 2381 2382 1580 atoms in group subset_H(H2O) group subset_H(H2O) id 2384 2385 2387 2388 2390 2391 2393 2394 2396 2397 1590 atoms in group subset_H(H2O) group subset_H(H2O) id 2399 2400 2402 2403 2405 2406 2408 2409 2411 2412 1600 atoms in group subset_H(H2O) group subset_H(H2O) id 2414 2415 2417 2418 2420 2421 2423 2424 2426 2427 1610 atoms in group subset_H(H2O) group subset_H(H2O) id 2429 2430 2432 2433 2435 2436 2438 2439 2441 2442 1620 atoms in group subset_H(H2O) group subset_H(H2O) id 2444 2445 2447 2448 2450 2451 2453 2454 2456 2457 1630 atoms in group subset_H(H2O) group subset_H(H2O) id 2459 2460 2462 2463 2465 2466 2468 2469 2471 2472 1640 atoms in group subset_H(H2O) group subset_H(H2O) id 2474 2475 2477 2478 2480 2481 2483 2484 2486 2487 1650 atoms in group subset_H(H2O) group subset_H(H2O) id 2489 2490 2492 2493 2495 2496 2498 2499 2501 2502 1660 atoms in group subset_H(H2O) group subset_H(H2O) id 2504 2505 2507 2508 2510 2511 2513 2514 2516 2517 1670 atoms in group subset_H(H2O) group subset_H(H2O) id 2519 2520 2522 2523 2525 2526 2528 2529 2531 2532 1680 atoms in group subset_H(H2O) group subset_H(H2O) id 2534 2535 2537 2538 2540 2541 2543 2544 2546 2547 1690 atoms in group subset_H(H2O) group subset_H(H2O) id 2549 2550 2552 2553 2555 2556 2558 2559 2561 2562 1700 atoms in group subset_H(H2O) group subset_H(H2O) id 2564 2565 2567 2568 2570 2571 2573 2574 2576 2577 1710 atoms in group subset_H(H2O) group subset_H(H2O) id 2579 2580 2582 2583 2585 2586 2588 2589 2591 2592 1720 atoms in group subset_H(H2O) group subset_H(H2O) id 2594 2595 2597 2598 2600 2601 2603 2604 2606 2607 1730 atoms in group subset_H(H2O) group subset_H(H2O) id 2609 2610 2612 2613 2615 2616 2618 2619 2621 2622 1740 atoms in group subset_H(H2O) group subset_H(H2O) id 2624 2625 2627 2628 2630 2631 2633 2634 2636 2637 1750 atoms in group subset_H(H2O) group subset_H(H2O) id 2639 2640 2642 2643 2645 2646 2648 2649 2651 2652 1760 atoms in group subset_H(H2O) group subset_H(H2O) id 2654 2655 2657 2658 2660 2661 2663 2664 2666 2667 1770 atoms in group subset_H(H2O) group subset_H(H2O) id 2669 2670 2672 2673 2675 2676 2678 2679 2681 2682 1780 atoms in group subset_H(H2O) group subset_H(H2O) id 2684 2685 2687 2688 2690 2691 2693 2694 2696 2697 1790 atoms in group subset_H(H2O) group subset_H(H2O) id 2699 2700 2702 2703 2705 2706 2708 2709 2711 2712 1800 atoms in group subset_H(H2O) group subset_H(H2O) id 2714 2715 2717 2718 2720 2721 2723 2724 2726 2727 1810 atoms in group subset_H(H2O) group subset_H(H2O) id 2729 2730 2732 2733 2735 2736 2738 2739 2741 2742 1820 atoms in group subset_H(H2O) group subset_H(H2O) id 2744 2745 2747 2748 2750 2751 2753 2754 2756 2757 1830 atoms in group subset_H(H2O) group subset_H(H2O) id 2759 2760 2762 2763 2765 2766 2768 2769 2771 2772 1840 atoms in group subset_H(H2O) group subset_H(H2O) id 2774 2775 2777 2778 2780 2781 2783 2784 2786 2787 1850 atoms in group subset_H(H2O) group subset_H(H2O) id 2789 2790 2792 2793 2795 2796 2798 2799 2801 2802 1860 atoms in group subset_H(H2O) group subset_H(H2O) id 2804 2805 2807 2808 2810 2811 2813 2814 2816 2817 1870 atoms in group subset_H(H2O) group subset_H(H2O) id 2819 2820 2822 2823 2825 2826 2828 2829 2831 2832 1880 atoms in group subset_H(H2O) group subset_H(H2O) id 2834 2835 2837 2838 2840 2841 2843 2844 2846 2847 1890 atoms in group subset_H(H2O) group subset_H(H2O) id 2849 2850 2852 2853 2855 2856 2858 2859 2861 2862 1900 atoms in group subset_H(H2O) group subset_H(H2O) id 2864 2865 2867 2868 2870 2871 2873 2874 2876 2877 1910 atoms in group subset_H(H2O) group subset_H(H2O) id 2879 2880 2882 2883 2885 2886 2888 2889 2891 2892 1920 atoms in group subset_H(H2O) group subset_H(H2O) id 2894 2895 2897 2898 2900 2901 2903 2904 2906 2907 1930 atoms in group subset_H(H2O) group subset_H(H2O) id 2909 2910 2912 2913 2915 2916 2918 2919 2921 2922 1940 atoms in group subset_H(H2O) group subset_H(H2O) id 2924 2925 2927 2928 2930 2931 2933 2934 2936 2937 1950 atoms in group subset_H(H2O) group subset_H(H2O) id 2939 2940 2942 2943 2945 2946 2948 2949 2951 2952 1960 atoms in group subset_H(H2O) group subset_H(H2O) id 2954 2955 2957 2958 2960 2961 2963 2964 2966 2967 1970 atoms in group subset_H(H2O) group subset_H(H2O) id 2969 2970 2972 2973 2975 2976 2978 2979 2981 2982 1980 atoms in group subset_H(H2O) group subset_H(H2O) id 2984 2985 2987 2988 2990 2991 2993 2994 2996 2997 1990 atoms in group subset_H(H2O) group subset_H(H2O) id 2999 3000 3002 3003 3005 3006 3008 3009 3011 3012 2000 atoms in group subset_H(H2O) group subset_H(H2O) id 3014 3015 3017 3018 3020 3021 3023 3024 3026 3027 2010 atoms in group subset_H(H2O) group subset_H(H2O) id 3029 3030 3032 3033 3035 3036 3038 3039 3041 3042 2020 atoms in group subset_H(H2O) group subset_H(H2O) id 3044 3045 3047 3048 3050 3051 3053 3054 3056 3057 2030 atoms in group subset_H(H2O) group subset_H(H2O) id 3059 3060 3062 3063 3065 3066 3068 3069 3071 3072 2040 atoms in group subset_H(H2O) group subset_H(H2O) id 3074 3075 3077 3078 3080 3081 3083 3084 3086 3087 2050 atoms in group subset_H(H2O) group subset_H(H2O) id 3089 3090 3092 3093 3095 3096 3098 3099 3101 3102 2060 atoms in group subset_H(H2O) group subset_H(H2O) id 3104 3105 3107 3108 3110 3111 3113 3114 3116 3117 2070 atoms in group subset_H(H2O) group subset_H(H2O) id 3119 3120 3122 3123 3125 3126 3128 3129 3131 3132 2080 atoms in group subset_H(H2O) group subset_H(H2O) id 3134 3135 3137 3138 3140 3141 3143 3144 3146 3147 2090 atoms in group subset_H(H2O) group subset_H(H2O) id 3149 3150 3152 3153 3155 3156 3158 3159 3161 3162 2100 atoms in group subset_H(H2O) group subset_H(H2O) id 3164 3165 3167 3168 3170 3171 3173 3174 3176 3177 2110 atoms in group subset_H(H2O) group subset_H(H2O) id 3179 3180 3182 3183 3185 3186 3188 3189 3191 3192 2120 atoms in group subset_H(H2O) group subset_H(H2O) id 3194 3195 3197 3198 3200 3201 3203 3204 3206 3207 2130 atoms in group subset_H(H2O) group subset_H(H2O) id 3209 3210 3212 3213 3215 3216 3218 3219 3221 3222 2140 atoms in group subset_H(H2O) group subset_H(H2O) id 3224 3225 3227 3228 3230 3231 3233 3234 3236 3237 2150 atoms in group subset_H(H2O) group subset_H(H2O) id 3239 3240 3242 3243 3245 3246 3248 3249 3251 3252 2160 atoms in group subset_H(H2O) group subset_H(H2O) id 3254 3255 3257 3258 3260 3261 3263 3264 3266 3267 2170 atoms in group subset_H(H2O) group subset_H(H2O) id 3269 3270 3272 3273 3275 3276 3278 3279 3281 3282 2180 atoms in group subset_H(H2O) group subset_H(H2O) id 3284 3285 3287 3288 3290 3291 3293 3294 3296 3297 2190 atoms in group subset_H(H2O) group subset_H(H2O) id 3299 3300 3302 3303 3305 3306 3308 3309 3311 3312 2200 atoms in group subset_H(H2O) group subset_H(H2O) id 3314 3315 3317 3318 3320 3321 3323 3324 3326 3327 2210 atoms in group subset_H(H2O) group subset_H(H2O) id 3329 3330 3332 3333 3335 3336 3338 3339 3341 3342 2220 atoms in group subset_H(H2O) group subset_H(H2O) id 3344 3345 3347 3348 3350 3351 3353 3354 3356 3357 2230 atoms in group subset_H(H2O) group subset_H(H2O) id 3359 3360 3362 3363 3365 3366 3368 3369 3371 3372 2240 atoms in group subset_H(H2O) group subset_H(H2O) id 3374 3375 3377 3378 3380 3381 3383 3384 3386 3387 2250 atoms in group subset_H(H2O) group subset_H(H2O) id 3389 3390 3392 3393 3395 3396 3398 3399 3401 3402 2260 atoms in group subset_H(H2O) group subset_H(H2O) id 3404 3405 3407 3408 3410 3411 3413 3414 3416 3417 2270 atoms in group subset_H(H2O) group subset_H(H2O) id 3419 3420 3422 3423 3425 3426 3428 3429 3431 3432 2280 atoms in group subset_H(H2O) group subset_H(H2O) id 3434 3435 3437 3438 3440 3441 3443 3444 3446 3447 2290 atoms in group subset_H(H2O) group subset_H(H2O) id 3449 3450 3452 3453 3455 3456 3458 3459 3461 3462 2300 atoms in group subset_H(H2O) group subset_H(H2O) id 3464 3465 3467 3468 3470 3471 3473 3474 3476 3477 2310 atoms in group subset_H(H2O) group subset_H(H2O) id 3479 3480 3482 3483 3485 3486 3488 3489 3491 3492 2320 atoms in group subset_H(H2O) group subset_H(H2O) id 3494 3495 3497 3498 3500 3501 3503 3504 3506 3507 2330 atoms in group subset_H(H2O) group subset_H(H2O) id 3509 3510 3512 3513 3515 3516 3518 3519 3521 3522 2340 atoms in group subset_H(H2O) group subset_H(H2O) id 3524 3525 3527 3528 3530 3531 3533 3534 3536 3537 2350 atoms in group subset_H(H2O) group subset_H(H2O) id 3539 3540 3542 3543 3545 3546 3548 3549 3551 3552 2360 atoms in group subset_H(H2O) group subset_H(H2O) id 3554 3555 3557 3558 3560 3561 3563 3564 3566 3567 2370 atoms in group subset_H(H2O) group subset_H(H2O) id 3569 3570 3572 3573 3575 3576 3578 3579 3581 3582 2380 atoms in group subset_H(H2O) group subset_H(H2O) id 3584 3585 3587 3588 3590 3591 3593 3594 3596 3597 2390 atoms in group subset_H(H2O) group subset_H(H2O) id 3599 3600 3602 3603 3605 3606 3608 3609 3611 3612 2400 atoms in group subset_H(H2O) group subset_H(H2O) id 3614 3615 3617 3618 3620 3621 3623 3624 3626 3627 2410 atoms in group subset_H(H2O) group subset_H(H2O) id 3629 3630 3632 3633 3635 3636 3638 3639 3641 3642 2420 atoms in group subset_H(H2O) group subset_H(H2O) id 3644 3645 3647 3648 3650 3651 3653 3654 3656 3657 2430 atoms in group subset_H(H2O) group subset_H(H2O) id 3659 3660 3662 3663 3665 3666 3668 3669 3671 3672 2440 atoms in group subset_H(H2O) group subset_H(H2O) id 3674 3675 3677 3678 3680 3681 3683 3684 3686 3687 2450 atoms in group subset_H(H2O) group subset_H(H2O) id 3689 3690 3692 3693 3695 3696 3698 3699 3701 3702 2460 atoms in group subset_H(H2O) group subset_H(H2O) id 3704 3705 3707 3708 3710 3711 3713 3714 3716 3717 2470 atoms in group subset_H(H2O) group subset_H(H2O) id 3719 3720 3722 3723 3725 3726 3728 3729 3731 3732 2480 atoms in group subset_H(H2O) group subset_H(H2O) id 3734 3735 3737 3738 3740 3741 3743 3744 3746 3747 2490 atoms in group subset_H(H2O) group subset_H(H2O) id 3749 3750 3752 3753 3755 3756 3758 3759 3761 3762 2500 atoms in group subset_H(H2O) group subset_H(H2O) id 3764 3765 3767 3768 3770 3771 3773 3774 3776 3777 2510 atoms in group subset_H(H2O) group subset_H(H2O) id 3779 3780 3782 3783 3785 3786 3788 3789 3791 3792 2520 atoms in group subset_H(H2O) group subset_H(H2O) id 3794 3795 3797 3798 3800 3801 3803 3804 3806 3807 2530 atoms in group subset_H(H2O) group subset_H(H2O) id 3809 3810 3812 3813 3815 3816 3818 3819 3821 3822 2540 atoms in group subset_H(H2O) group subset_H(H2O) id 3824 3825 3827 3828 3830 3831 3833 3834 3836 3837 2550 atoms in group subset_H(H2O) group subset_H(H2O) id 3839 3840 3842 3843 3845 3846 3848 3849 3851 3852 2560 atoms in group subset_H(H2O) group subset_H(H2O) id 3854 3855 3857 3858 3860 3861 3863 3864 3866 3867 2570 atoms in group subset_H(H2O) group subset_H(H2O) id 3869 3870 3872 3873 3875 3876 3878 3879 3881 3882 2580 atoms in group subset_H(H2O) group subset_H(H2O) id 3884 3885 3887 3888 3890 3891 3893 3894 3896 3897 2590 atoms in group subset_H(H2O) group subset_H(H2O) id 3899 3900 3902 3903 3905 3906 3908 3909 3911 3912 2600 atoms in group subset_H(H2O) group subset_H(H2O) id 3914 3915 3917 3918 3920 3921 3923 3924 3926 3927 2610 atoms in group subset_H(H2O) group subset_H(H2O) id 3929 3930 3932 3933 3935 3936 3938 3939 3941 3942 2620 atoms in group subset_H(H2O) group subset_H(H2O) id 3944 3945 3947 3948 3950 3951 3953 3954 3956 3957 2630 atoms in group subset_H(H2O) group subset_H(H2O) id 3959 3960 3962 3963 3965 3966 3968 3969 3971 3972 2640 atoms in group subset_H(H2O) group subset_H(H2O) id 3974 3975 3977 3978 3980 3981 3983 3984 3986 3987 2650 atoms in group subset_H(H2O) group subset_H(H2O) id 3989 3990 3992 3993 3995 3996 3998 3999 4001 4002 2660 atoms in group subset_H(H2O) group subset_H(H2O) id 4004 4005 4007 4008 4010 4011 4013 4014 4016 4017 2670 atoms in group subset_H(H2O) group subset_H(H2O) id 4019 4020 4022 4023 4025 4026 4028 4029 4031 4032 2680 atoms in group subset_H(H2O) group subset_H(H2O) id 4034 4035 4037 4038 4040 4041 4043 4044 4046 4047 2690 atoms in group subset_H(H2O) group subset_H(H2O) id 4049 4050 4052 4053 4055 4056 4058 4059 4061 4062 2700 atoms in group subset_H(H2O) group subset_H(H2O) id 4064 4065 4067 4068 4070 4071 4073 4074 4076 4077 2710 atoms in group subset_H(H2O) group subset_H(H2O) id 4079 4080 4082 4083 4085 4086 4088 4089 4091 4092 2720 atoms in group subset_H(H2O) group subset_H(H2O) id 4094 4095 4097 4098 4100 4101 4103 4104 4106 4107 2730 atoms in group subset_H(H2O) group subset_H(H2O) id 4109 4110 4112 4113 4115 4116 4118 4119 4121 4122 2740 atoms in group subset_H(H2O) group subset_H(H2O) id 4124 4125 4127 4128 4130 4131 4133 4134 4136 4137 2750 atoms in group subset_H(H2O) group subset_H(H2O) id 4139 4140 4142 4143 4145 4146 4148 4149 4151 4152 2760 atoms in group subset_H(H2O) group subset_H(H2O) id 4154 4155 4157 4158 4160 4161 4163 4164 4166 4167 2770 atoms in group subset_H(H2O) group subset_H(H2O) id 4169 4170 4172 4173 4175 4176 4178 4179 4181 4182 2780 atoms in group subset_H(H2O) group subset_H(H2O) id 4184 4185 4187 4188 4190 4191 4193 4194 4196 4197 2790 atoms in group subset_H(H2O) group subset_H(H2O) id 4199 4200 4202 4203 4205 4206 4208 4209 4211 4212 2800 atoms in group subset_H(H2O) group subset_H(H2O) id 4214 4215 4217 4218 4220 4221 4223 4224 4226 4227 2810 atoms in group subset_H(H2O) group subset_H(H2O) id 4229 4230 4232 4233 4235 4236 4238 4239 4241 4242 2820 atoms in group subset_H(H2O) group subset_H(H2O) id 4244 4245 4247 4248 4250 4251 4253 4254 4256 4257 2830 atoms in group subset_H(H2O) group subset_H(H2O) id 4259 4260 4262 4263 4265 4266 4268 4269 4271 4272 2840 atoms in group subset_H(H2O) group subset_H(H2O) id 4274 4275 4277 4278 4280 4281 4283 4284 4286 4287 2850 atoms in group subset_H(H2O) group subset_H(H2O) id 4289 4290 4292 4293 4295 4296 4298 4299 4301 4302 2860 atoms in group subset_H(H2O) group subset_H(H2O) id 4304 4305 4307 4308 4310 4311 4313 4314 4316 4317 2870 atoms in group subset_H(H2O) group subset_H(H2O) id 4319 4320 4322 4323 4325 4326 4328 4329 4331 4332 2880 atoms in group subset_H(H2O) group subset_H(H2O) id 4334 4335 4337 4338 4340 4341 4343 4344 4346 4347 2890 atoms in group subset_H(H2O) group subset_H(H2O) id 4349 4350 4352 4353 4355 4356 4358 4359 4361 4362 2900 atoms in group subset_H(H2O) group subset_H(H2O) id 4364 4365 4367 4368 4370 4371 4373 4374 4376 4377 2910 atoms in group subset_H(H2O) group subset_H(H2O) id 4379 4380 4382 4383 4385 4386 4388 4389 4391 4392 2920 atoms in group subset_H(H2O) group subset_H(H2O) id 4394 4395 4397 4398 4400 4401 4403 4404 4406 4407 2930 atoms in group subset_H(H2O) group subset_H(H2O) id 4409 4410 4412 4413 4415 4416 4418 4419 4421 4422 2940 atoms in group subset_H(H2O) group subset_H(H2O) id 4424 4425 4427 4428 4430 4431 4433 4434 4436 4437 2950 atoms in group subset_H(H2O) group subset_H(H2O) id 4439 4440 4442 4443 4445 4446 4448 4449 4451 4452 2960 atoms in group subset_H(H2O) group subset_H(H2O) id 4454 4455 4457 4458 4460 4461 4463 4464 4466 4467 2970 atoms in group subset_H(H2O) group subset_H(H2O) id 4469 4470 4472 4473 4475 4476 4478 4479 4481 4482 2980 atoms in group subset_H(H2O) group subset_H(H2O) id 4484 4485 4487 4488 4490 4491 4493 4494 4496 4497 2990 atoms in group subset_H(H2O) group subset_H(H2O) id 4499 4500 4502 4503 4505 4506 4508 4509 4511 4512 3000 atoms in group subset_H(H2O) group subset_H(H2O) id 4514 4515 4517 4518 4520 4521 4523 4524 4526 4527 3010 atoms in group subset_H(H2O) group subset_H(H2O) id 4529 4530 4532 4533 4535 4536 4538 4539 4541 4542 3020 atoms in group subset_H(H2O) group subset_H(H2O) id 4544 4545 4547 4548 4550 4551 4553 4554 4556 4557 3030 atoms in group subset_H(H2O) group subset_H(H2O) id 4559 4560 4562 4563 4565 4566 4568 4569 4571 4572 3040 atoms in group subset_H(H2O) group subset_H(H2O) id 4574 4575 4577 4578 4580 4581 4583 4584 4586 4587 3050 atoms in group subset_H(H2O) group subset_H(H2O) id 4589 4590 4592 4593 4595 4596 4598 4599 4601 4602 3060 atoms in group subset_H(H2O) group subset_H(H2O) id 4604 4605 4607 4608 4610 4611 4613 4614 4616 4617 3070 atoms in group subset_H(H2O) group subset_H(H2O) id 4619 4620 4622 4623 4625 4626 4628 4629 4631 4632 3080 atoms in group subset_H(H2O) group subset_H(H2O) id 4634 4635 4637 4638 4640 4641 4643 4644 4646 4647 3090 atoms in group subset_H(H2O) group subset_H(H2O) id 4649 4650 4652 4653 4655 4656 4658 4659 4661 4662 3100 atoms in group subset_H(H2O) group subset_H(H2O) id 4664 4665 4667 4668 4670 4671 4673 4674 4676 4677 3110 atoms in group subset_H(H2O) group subset_H(H2O) id 4679 4680 4682 4683 4685 4686 4688 4689 4691 4692 3120 atoms in group subset_H(H2O) group subset_H(H2O) id 4694 4695 4697 4698 4700 4701 4703 4704 4706 4707 3130 atoms in group subset_H(H2O) group subset_H(H2O) id 4709 4710 4712 4713 4715 4716 4718 4719 4721 4722 3140 atoms in group subset_H(H2O) group subset_H(H2O) id 4724 4725 4727 4728 4730 4731 4733 4734 4736 4737 3150 atoms in group subset_H(H2O) group subset_H(H2O) id 4739 4740 4742 4743 4745 4746 4748 4749 4751 4752 3160 atoms in group subset_H(H2O) group subset_H(H2O) id 4754 4755 4757 4758 4760 4761 4763 4764 4766 4767 3170 atoms in group subset_H(H2O) group subset_H(H2O) id 4769 4770 4772 4773 4775 4776 4778 4779 4781 4782 3180 atoms in group subset_H(H2O) group subset_H(H2O) id 4784 4785 4787 4788 4790 4791 4793 4794 4796 4797 3190 atoms in group subset_H(H2O) group subset_H(H2O) id 4799 4800 4802 4803 4805 4806 4808 4809 4811 4812 3200 atoms in group subset_H(H2O) group subset_H(H2O) id 4814 4815 4817 4818 4820 4821 4823 4824 4826 4827 3210 atoms in group subset_H(H2O) group subset_H(H2O) id 4829 4830 4832 4833 4835 4836 4838 4839 4841 4842 3220 atoms in group subset_H(H2O) group subset_H(H2O) id 4844 4845 4847 4848 4850 4851 4853 4854 4856 4857 3230 atoms in group subset_H(H2O) group subset_H(H2O) id 4859 4860 4862 4863 4865 4866 4868 4869 4871 4872 3240 atoms in group subset_H(H2O) group subset_H(H2O) id 4874 4875 4877 4878 4880 4881 4883 4884 4886 4887 3250 atoms in group subset_H(H2O) group subset_H(H2O) id 4889 4890 4892 4893 4895 4896 4898 4899 4901 4902 3260 atoms in group subset_H(H2O) group subset_H(H2O) id 4904 4905 4907 4908 4910 4911 4913 4914 4916 4917 3270 atoms in group subset_H(H2O) group subset_H(H2O) id 4919 4920 4922 4923 4925 4926 4928 4929 4931 4932 3280 atoms in group subset_H(H2O) group subset_H(H2O) id 4934 4935 4937 4938 4940 4941 4943 4944 4946 4947 3290 atoms in group subset_H(H2O) group subset_H(H2O) id 4949 4950 4952 4953 4955 4956 4958 4959 4961 4962 3300 atoms in group subset_H(H2O) group subset_H(H2O) id 4964 4965 4967 4968 4970 4971 4973 4974 4976 4977 3310 atoms in group subset_H(H2O) group subset_H(H2O) id 4979 4980 4982 4983 4985 4986 4988 4989 4991 4992 3320 atoms in group subset_H(H2O) group subset_H(H2O) id 4994 4995 4997 4998 5000 5001 5003 5004 5006 5007 3330 atoms in group subset_H(H2O) group subset_H(H2O) id 5009 5010 5012 5013 5015 5016 5018 5019 5021 5022 3340 atoms in group subset_H(H2O) group subset_H(H2O) id 5024 5025 5027 5028 5030 5031 5033 5034 5036 5037 3350 atoms in group subset_H(H2O) group subset_H(H2O) id 5039 5040 5042 5043 5045 5046 5048 5049 5051 5052 3360 atoms in group subset_H(H2O) group subset_H(H2O) id 5054 5055 5057 5058 5060 5061 5063 5064 5066 5067 3370 atoms in group subset_H(H2O) group subset_H(H2O) id 5069 5070 5072 5073 5075 5076 5078 5079 5081 5082 3380 atoms in group subset_H(H2O) group subset_H(H2O) id 5084 5085 5087 5088 5090 5091 5093 5094 5096 5097 3390 atoms in group subset_H(H2O) group subset_H(H2O) id 5099 5100 5102 5103 5105 5106 5108 5109 5111 5112 3400 atoms in group subset_H(H2O) group subset_H(H2O) id 5114 5115 5117 5118 5120 5121 5123 5124 5126 5127 3410 atoms in group subset_H(H2O) group subset_H(H2O) id 5129 5130 5132 5133 5135 5136 5138 5139 5141 5142 3420 atoms in group subset_H(H2O) group subset_H(H2O) id 5144 5145 5147 5148 5150 5151 5153 5154 5156 5157 3430 atoms in group subset_H(H2O) group subset_H(H2O) id 5159 5160 5162 5163 5165 5166 5168 5169 5171 5172 3440 atoms in group subset_H(H2O) group subset_H(H2O) id 5174 5175 5177 5178 5180 5181 5183 5184 5186 5187 3450 atoms in group subset_H(H2O) group subset_H(H2O) id 5189 5190 5192 5193 5195 5196 5198 5199 5201 5202 3460 atoms in group subset_H(H2O) group subset_H(H2O) id 5204 5205 5207 5208 5210 5211 5213 5214 5216 5217 3470 atoms in group subset_H(H2O) group subset_H(H2O) id 5219 5220 5222 5223 5225 5226 5228 5229 5231 5232 3480 atoms in group subset_H(H2O) group subset_H(H2O) id 5234 5235 5237 5238 5240 5241 5243 5244 5246 5247 3490 atoms in group subset_H(H2O) group subset_H(H2O) id 5249 5250 5252 5253 5255 5256 5258 5259 5261 5262 3500 atoms in group subset_H(H2O) group subset_H(H2O) id 5264 5265 5267 5268 5270 5271 5273 5274 5276 5277 3510 atoms in group subset_H(H2O) group subset_H(H2O) id 5279 5280 5282 5283 5285 5286 5288 5289 5291 5292 3520 atoms in group subset_H(H2O) group subset_H(H2O) id 5294 5295 5297 5298 5300 5301 5303 5304 5306 5307 3530 atoms in group subset_H(H2O) group subset_H(H2O) id 5309 5310 5312 5313 5315 5316 5318 5319 5321 5322 3540 atoms in group subset_H(H2O) group subset_H(H2O) id 5324 5325 5327 5328 5330 5331 5333 5334 5336 5337 3550 atoms in group subset_H(H2O) group subset_H(H2O) id 5339 5340 5342 5343 5345 5346 5348 5349 5351 5352 3560 atoms in group subset_H(H2O) group subset_H(H2O) id 5354 5355 5357 5358 5360 5361 5363 5364 5366 5367 3570 atoms in group subset_H(H2O) group subset_H(H2O) id 5369 5370 5372 5373 5375 5376 5378 5379 5381 5382 3580 atoms in group subset_H(H2O) group subset_H(H2O) id 5384 5385 5387 5388 5390 5391 5393 5394 5396 5397 3590 atoms in group subset_H(H2O) group subset_H(H2O) id 5399 5400 5402 5403 5405 5406 5408 5409 5411 5412 3600 atoms in group subset_H(H2O) group subset_H(H2O) id 5414 5415 5417 5418 5420 5421 5423 5424 5426 5427 3610 atoms in group subset_H(H2O) group subset_H(H2O) id 5429 5430 5432 5433 5435 5436 5438 5439 5441 5442 3620 atoms in group subset_H(H2O) group subset_H(H2O) id 5444 5445 5447 5448 5450 5451 5453 5454 5456 5457 3630 atoms in group subset_H(H2O) group subset_H(H2O) id 5459 5460 5462 5463 5465 5466 5468 5469 5471 5472 3640 atoms in group subset_H(H2O) group subset_H(H2O) id 5474 5475 5477 5478 5480 5481 5483 5484 5486 5487 3650 atoms in group subset_H(H2O) group subset_H(H2O) id 5489 5490 5492 5493 5495 5496 5498 5499 5501 5502 3660 atoms in group subset_H(H2O) group subset_H(H2O) id 5504 5505 5507 5508 5510 5511 5513 5514 5516 5517 3670 atoms in group subset_H(H2O) group subset_H(H2O) id 5519 5520 5522 5523 5525 5526 5528 5529 5531 5532 3680 atoms in group subset_H(H2O) group subset_H(H2O) id 5534 5535 5537 5538 5540 5541 5543 5544 5546 5547 3690 atoms in group subset_H(H2O) group subset_H(H2O) id 5549 5550 5552 5553 5555 5556 5558 5559 5561 5562 3700 atoms in group subset_H(H2O) group subset_H(H2O) id 5564 5565 5567 5568 5570 5571 5573 5574 5576 5577 3710 atoms in group subset_H(H2O) group subset_H(H2O) id 5579 5580 5582 5583 5585 5586 5588 5589 5591 5592 3720 atoms in group subset_H(H2O) group subset_H(H2O) id 5594 5595 5597 5598 5600 5601 5603 5604 5606 5607 3730 atoms in group subset_H(H2O) group subset_H(H2O) id 5609 5610 5612 5613 5615 5616 5618 5619 5621 5622 3740 atoms in group subset_H(H2O) group subset_H(H2O) id 5624 5625 5627 5628 5630 5631 5633 5634 5636 5637 3750 atoms in group subset_H(H2O) group subset_H(H2O) id 5639 5640 5642 5643 5645 5646 5648 5649 5651 5652 3760 atoms in group subset_H(H2O) group subset_H(H2O) id 5654 5655 5657 5658 5660 5661 5663 5664 5666 5667 3770 atoms in group subset_H(H2O) group subset_H(H2O) id 5669 5670 5672 5673 5675 5676 5678 5679 5681 5682 3780 atoms in group subset_H(H2O) group subset_H(H2O) id 5684 5685 5687 5688 5690 5691 5693 5694 5696 5697 3790 atoms in group subset_H(H2O) group subset_H(H2O) id 5699 5700 5702 5703 5705 5706 5708 5709 5711 5712 3800 atoms in group subset_H(H2O) group subset_H(H2O) id 5714 5715 5717 5718 5720 5721 5723 5724 5726 5727 3810 atoms in group subset_H(H2O) group subset_H(H2O) id 5729 5730 5732 5733 5735 5736 5738 5739 5741 5742 3820 atoms in group subset_H(H2O) group subset_H(H2O) id 5744 5745 5747 5748 5750 5751 5753 5754 5756 5757 3830 atoms in group subset_H(H2O) group subset_H(H2O) id 5759 5760 5762 5763 5765 5766 5768 5769 5771 5772 3840 atoms in group subset_H(H2O) group subset_H(H2O) id 5774 5775 5777 5778 5780 5781 5783 5784 5786 5787 3850 atoms in group subset_H(H2O) group subset_H(H2O) id 5789 5790 5792 5793 5795 5796 5798 5799 5801 5802 3860 atoms in group subset_H(H2O) group subset_H(H2O) id 5804 5805 5807 5808 5810 5811 5813 5814 5816 5817 3870 atoms in group subset_H(H2O) group subset_H(H2O) id 5819 5820 5822 5823 5825 5826 5828 5829 5831 5832 3880 atoms in group subset_H(H2O) group subset_H(H2O) id 5834 5835 5837 5838 5840 5841 5843 5844 5846 5847 3890 atoms in group subset_H(H2O) group subset_H(H2O) id 5849 5850 5852 5853 5855 5856 5858 5859 5861 5862 3900 atoms in group subset_H(H2O) group subset_H(H2O) id 5864 5865 5867 5868 5870 5871 5873 5874 5876 5877 3910 atoms in group subset_H(H2O) group subset_H(H2O) id 5879 5880 5882 5883 5885 5886 5888 5889 5891 5892 3920 atoms in group subset_H(H2O) group subset_H(H2O) id 5894 5895 5897 5898 5900 5901 5903 5904 5906 5907 3930 atoms in group subset_H(H2O) group subset_H(H2O) id 5909 5910 5912 5913 5915 5916 5918 5919 5921 5922 3940 atoms in group subset_H(H2O) group subset_H(H2O) id 5924 5925 5927 5928 5930 5931 5933 5934 5936 5937 3950 atoms in group subset_H(H2O) group subset_H(H2O) id 5939 5940 5942 5943 5945 5946 5948 5949 5951 5952 3960 atoms in group subset_H(H2O) group subset_H(H2O) id 5954 5955 5957 5958 5960 5961 5963 5964 5966 5967 3970 atoms in group subset_H(H2O) group subset_H(H2O) id 5969 5970 5972 5973 5975 5976 5978 5979 5981 5982 3980 atoms in group subset_H(H2O) group subset_H(H2O) id 5984 5985 5987 5988 5990 5991 5993 5994 5996 5997 3990 atoms in group subset_H(H2O) group subset_H(H2O) id 5999 6000 6002 6003 6005 6006 6008 6009 6011 6012 4000 atoms in group subset_H(H2O) group subset_H(H2O) id 6014 6015 6017 6018 6020 6021 6023 6024 6026 6027 4010 atoms in group subset_H(H2O) group subset_H(H2O) id 6029 6030 6032 6033 6035 6036 6038 6039 6041 6042 4020 atoms in group subset_H(H2O) group subset_H(H2O) id 6044 6045 6047 6048 6050 6051 6053 6054 6056 6057 4030 atoms in group subset_H(H2O) group subset_H(H2O) id 6059 6060 6062 6063 6065 6066 6068 6069 6071 6072 4040 atoms in group subset_H(H2O) group subset_H(H2O) id 6074 6075 6077 6078 6080 6081 6083 6084 6086 6087 4050 atoms in group subset_H(H2O) group subset_H(H2O) id 6089 6090 6092 6093 6095 6096 6098 6099 6101 6102 4060 atoms in group subset_H(H2O) group subset_H(H2O) id 6104 6105 6107 6108 6110 6111 6113 6114 6116 6117 4070 atoms in group subset_H(H2O) group subset_H(H2O) id 6119 6120 6122 6123 6125 6126 6128 6129 6131 6132 4080 atoms in group subset_H(H2O) group subset_H(H2O) id 6134 6135 6137 6138 6140 6141 6143 6144 6146 6147 4090 atoms in group subset_H(H2O) group subset_H(H2O) id 6149 6150 6152 6153 6155 6156 6158 6159 6161 6162 4100 atoms in group subset_H(H2O) group subset_H(H2O) id 6164 6165 6167 6168 6170 6171 6173 6174 6176 6177 4110 atoms in group subset_H(H2O) group subset_H(H2O) id 6179 6180 6182 6183 6185 6186 6188 6189 6191 6192 4120 atoms in group subset_H(H2O) group subset_H(H2O) id 6194 6195 6197 6198 6200 6201 6203 6204 6206 6207 4130 atoms in group subset_H(H2O) group subset_H(H2O) id 6209 6210 6212 6213 6215 6216 6218 6219 6221 6222 4140 atoms in group subset_H(H2O) group subset_H(H2O) id 6224 6225 6227 6228 6230 6231 6233 6234 6236 6237 4150 atoms in group subset_H(H2O) group subset_H(H2O) id 6239 6240 6242 6243 6245 6246 6248 6249 6251 6252 4160 atoms in group subset_H(H2O) group subset_H(H2O) id 6254 6255 6257 6258 6260 6261 6263 6264 6266 6267 4170 atoms in group subset_H(H2O) group subset_H(H2O) id 6269 6270 6272 6273 6275 6276 6278 6279 6281 6282 4180 atoms in group subset_H(H2O) group subset_H(H2O) id 6284 6285 6287 6288 6290 6291 6293 6294 6296 6297 4190 atoms in group subset_H(H2O) group subset_H(H2O) id 6299 6300 6302 6303 6305 6306 6308 6309 6311 6312 4200 atoms in group subset_H(H2O) group subset_H(H2O) id 6314 6315 6317 6318 6320 6321 6323 6324 6326 6327 4210 atoms in group subset_H(H2O) group subset_H(H2O) id 6329 6330 6332 6333 6335 6336 6338 6339 6341 6342 4220 atoms in group subset_H(H2O) group subset_H(H2O) id 6344 6345 6347 6348 6350 6351 6353 6354 6356 6357 4230 atoms in group subset_H(H2O) group subset_H(H2O) id 6359 6360 6362 6363 6365 6366 6368 6369 6371 6372 4240 atoms in group subset_H(H2O) group subset_H(H2O) id 6374 6375 6377 6378 6380 6381 6383 6384 6386 6387 4250 atoms in group subset_H(H2O) group subset_H(H2O) id 6389 6390 6392 6393 6395 6396 6398 6399 6401 6402 4260 atoms in group subset_H(H2O) group subset_H(H2O) id 6404 6405 6407 6408 6410 6411 6413 6414 6416 6417 4270 atoms in group subset_H(H2O) group subset_H(H2O) id 6419 6420 6422 6423 6425 6426 6428 6429 6431 6432 4280 atoms in group subset_H(H2O) group subset_H(H2O) id 6434 6435 6437 6438 6440 6441 6443 6444 6446 6447 4290 atoms in group subset_H(H2O) group subset_H(H2O) id 6449 6450 6452 6453 6455 6456 6458 6459 6461 6462 4300 atoms in group subset_H(H2O) group subset_H(H2O) id 6464 6465 6467 6468 6470 6471 6473 6474 6476 6477 4310 atoms in group subset_H(H2O) group subset_H(H2O) id 6479 6480 6482 6483 6485 6486 6488 6489 6491 6492 4320 atoms in group subset_H(H2O) group subset_H(H2O) id 6494 6495 6497 6498 6500 6501 6503 6504 6506 6507 4330 atoms in group subset_H(H2O) group subset_H(H2O) id 6509 6510 6512 6513 6515 6516 6518 6519 6521 6522 4340 atoms in group subset_H(H2O) group subset_H(H2O) id 6524 6525 6527 6528 6530 6531 6533 6534 6536 6537 4350 atoms in group subset_H(H2O) group subset_H(H2O) id 6539 6540 6542 6543 6545 6546 6548 6549 6551 6552 4360 atoms in group subset_H(H2O) group subset_H(H2O) id 6554 6555 6557 6558 6560 6561 6563 6564 6566 6567 4370 atoms in group subset_H(H2O) group subset_H(H2O) id 6569 6570 6572 6573 6575 6576 6578 6579 6581 6582 4380 atoms in group subset_H(H2O) group subset_H(H2O) id 6584 6585 6587 6588 6590 6591 6593 6594 6596 6597 4390 atoms in group subset_H(H2O) group subset_H(H2O) id 6599 6600 6602 6603 6605 6606 6608 6609 6611 6612 4400 atoms in group subset_H(H2O) group subset_H(H2O) id 6614 6615 6617 6618 6620 6621 6623 6624 6626 6627 4410 atoms in group subset_H(H2O) group subset_H(H2O) id 6629 6630 6632 6633 6635 6636 6638 6639 6641 6642 4420 atoms in group subset_H(H2O) group subset_H(H2O) id 6644 6645 6647 6648 6650 6651 6653 6654 6656 6657 4430 atoms in group subset_H(H2O) group subset_H(H2O) id 6659 6660 6662 6663 6665 6666 6668 6669 6671 6672 4440 atoms in group subset_H(H2O) log 2.2_Minimization.out