#------------------------------------------------------------------------------- # 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 (39.447192 39.447192 39.447192) 2 by 2 by 2 MPI processor grid reading atoms ... 6029 atoms scanning bonds ... 1 = max bonds/atom scanning angles ... 1 = max angles/atom reading bonds ... 3898 bonds reading angles ... 1949 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 = 0.001 seconds read_data CPU = 0.037 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 0.3727 1.635 # Li+ - 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 6029 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_Li id 1 2 3 4 5 6 7 8 9 10 10 atoms in group subset_Li group subset_Li id 11 12 13 14 15 16 17 18 19 20 20 atoms in group subset_Li group subset_Li id 21 22 23 24 25 26 27 28 29 30 30 atoms in group subset_Li group subset_Li id 31 32 33 34 35 36 37 38 39 40 40 atoms in group subset_Li group subset_Li id 41 42 43 44 45 46 47 48 49 50 50 atoms in group subset_Li group subset_Li id 51 52 53 54 55 56 57 58 59 60 60 atoms in group subset_Li group subset_Li id 61 62 63 64 65 66 67 68 69 70 70 atoms in group subset_Li group subset_Li id 71 72 73 74 75 76 77 78 79 80 80 atoms in group subset_Li group subset_Li id 81 82 83 84 85 86 87 88 89 90 90 atoms in group subset_Li group subset_Li id 91 91 atoms in group subset_Li group subset_Cl id 92 93 94 95 96 97 98 99 100 101 10 atoms in group subset_Cl group subset_Cl id 102 103 104 105 106 107 108 109 110 111 20 atoms in group subset_Cl group subset_Cl id 112 113 114 115 116 117 118 119 120 121 30 atoms in group subset_Cl group subset_Cl id 122 123 124 125 126 127 128 129 130 131 40 atoms in group subset_Cl group subset_Cl id 132 133 134 135 136 137 138 139 140 141 50 atoms in group subset_Cl group subset_Cl id 142 143 144 145 146 147 148 149 150 151 60 atoms in group subset_Cl group subset_Cl id 152 153 154 155 156 157 158 159 160 161 70 atoms in group subset_Cl group subset_Cl id 162 163 164 165 166 167 168 169 170 171 80 atoms in group subset_Cl group subset_Cl id 172 173 174 175 176 177 178 179 180 181 90 atoms in group subset_Cl group subset_Cl id 182 91 atoms in group subset_Cl group subset_O(H2O) id 183 186 189 192 195 198 201 204 207 210 10 atoms in group subset_O(H2O) group subset_O(H2O) id 213 216 219 222 225 228 231 234 237 240 20 atoms in group subset_O(H2O) group subset_O(H2O) id 243 246 249 252 255 258 261 264 267 270 30 atoms in group subset_O(H2O) group subset_O(H2O) id 273 276 279 282 285 288 291 294 297 300 40 atoms in group subset_O(H2O) group subset_O(H2O) id 303 306 309 312 315 318 321 324 327 330 50 atoms in group subset_O(H2O) group subset_O(H2O) id 333 336 339 342 345 348 351 354 357 360 60 atoms in group subset_O(H2O) group subset_O(H2O) id 363 366 369 372 375 378 381 384 387 390 70 atoms in group subset_O(H2O) group subset_O(H2O) id 393 396 399 402 405 408 411 414 417 420 80 atoms in group subset_O(H2O) group subset_O(H2O) id 423 426 429 432 435 438 441 444 447 450 90 atoms in group subset_O(H2O) group subset_O(H2O) id 453 456 459 462 465 468 471 474 477 480 100 atoms in group subset_O(H2O) group subset_O(H2O) id 483 486 489 492 495 498 501 504 507 510 110 atoms in group subset_O(H2O) group subset_O(H2O) id 513 516 519 522 525 528 531 534 537 540 120 atoms in group subset_O(H2O) group subset_O(H2O) id 543 546 549 552 555 558 561 564 567 570 130 atoms in group subset_O(H2O) group subset_O(H2O) id 573 576 579 582 585 588 591 594 597 600 140 atoms in group subset_O(H2O) group subset_O(H2O) id 603 606 609 612 615 618 621 624 627 630 150 atoms in group subset_O(H2O) group subset_O(H2O) id 633 636 639 642 645 648 651 654 657 660 160 atoms in group subset_O(H2O) group subset_O(H2O) id 663 666 669 672 675 678 681 684 687 690 170 atoms in group subset_O(H2O) group subset_O(H2O) id 693 696 699 702 705 708 711 714 717 720 180 atoms in group subset_O(H2O) group subset_O(H2O) id 723 726 729 732 735 738 741 744 747 750 190 atoms in group subset_O(H2O) group subset_O(H2O) id 753 756 759 762 765 768 771 774 777 780 200 atoms in group subset_O(H2O) group subset_O(H2O) id 783 786 789 792 795 798 801 804 807 810 210 atoms in group subset_O(H2O) group subset_O(H2O) id 813 816 819 822 825 828 831 834 837 840 220 atoms in group subset_O(H2O) group subset_O(H2O) id 843 846 849 852 855 858 861 864 867 870 230 atoms in group subset_O(H2O) group subset_O(H2O) id 873 876 879 882 885 888 891 894 897 900 240 atoms in group subset_O(H2O) group subset_O(H2O) id 903 906 909 912 915 918 921 924 927 930 250 atoms in group subset_O(H2O) group subset_O(H2O) id 933 936 939 942 945 948 951 954 957 960 260 atoms in group subset_O(H2O) group subset_O(H2O) id 963 966 969 972 975 978 981 984 987 990 270 atoms in group subset_O(H2O) group subset_O(H2O) id 993 996 999 1002 1005 1008 1011 1014 1017 1020 280 atoms in group subset_O(H2O) group subset_O(H2O) id 1023 1026 1029 1032 1035 1038 1041 1044 1047 1050 290 atoms in group subset_O(H2O) group subset_O(H2O) id 1053 1056 1059 1062 1065 1068 1071 1074 1077 1080 300 atoms in group subset_O(H2O) group subset_O(H2O) id 1083 1086 1089 1092 1095 1098 1101 1104 1107 1110 310 atoms in group subset_O(H2O) group subset_O(H2O) id 1113 1116 1119 1122 1125 1128 1131 1134 1137 1140 320 atoms in group subset_O(H2O) group subset_O(H2O) id 1143 1146 1149 1152 1155 1158 1161 1164 1167 1170 330 atoms in group subset_O(H2O) group subset_O(H2O) id 1173 1176 1179 1182 1185 1188 1191 1194 1197 1200 340 atoms in group subset_O(H2O) group subset_O(H2O) id 1203 1206 1209 1212 1215 1218 1221 1224 1227 1230 350 atoms in group subset_O(H2O) group subset_O(H2O) id 1233 1236 1239 1242 1245 1248 1251 1254 1257 1260 360 atoms in group subset_O(H2O) group subset_O(H2O) id 1263 1266 1269 1272 1275 1278 1281 1284 1287 1290 370 atoms in group subset_O(H2O) group subset_O(H2O) id 1293 1296 1299 1302 1305 1308 1311 1314 1317 1320 380 atoms in group subset_O(H2O) group subset_O(H2O) id 1323 1326 1329 1332 1335 1338 1341 1344 1347 1350 390 atoms in group subset_O(H2O) group subset_O(H2O) id 1353 1356 1359 1362 1365 1368 1371 1374 1377 1380 400 atoms in group subset_O(H2O) group subset_O(H2O) id 1383 1386 1389 1392 1395 1398 1401 1404 1407 1410 410 atoms in group subset_O(H2O) group subset_O(H2O) id 1413 1416 1419 1422 1425 1428 1431 1434 1437 1440 420 atoms in group subset_O(H2O) group subset_O(H2O) id 1443 1446 1449 1452 1455 1458 1461 1464 1467 1470 430 atoms in group subset_O(H2O) group subset_O(H2O) id 1473 1476 1479 1482 1485 1488 1491 1494 1497 1500 440 atoms in group subset_O(H2O) group subset_O(H2O) id 1503 1506 1509 1512 1515 1518 1521 1524 1527 1530 450 atoms in group subset_O(H2O) group subset_O(H2O) id 1533 1536 1539 1542 1545 1548 1551 1554 1557 1560 460 atoms in group subset_O(H2O) group subset_O(H2O) id 1563 1566 1569 1572 1575 1578 1581 1584 1587 1590 470 atoms in group subset_O(H2O) group subset_O(H2O) id 1593 1596 1599 1602 1605 1608 1611 1614 1617 1620 480 atoms in group subset_O(H2O) group subset_O(H2O) id 1623 1626 1629 1632 1635 1638 1641 1644 1647 1650 490 atoms in group subset_O(H2O) group subset_O(H2O) id 1653 1656 1659 1662 1665 1668 1671 1674 1677 1680 500 atoms in group subset_O(H2O) group subset_O(H2O) id 1683 1686 1689 1692 1695 1698 1701 1704 1707 1710 510 atoms in group subset_O(H2O) group subset_O(H2O) id 1713 1716 1719 1722 1725 1728 1731 1734 1737 1740 520 atoms in group subset_O(H2O) group subset_O(H2O) id 1743 1746 1749 1752 1755 1758 1761 1764 1767 1770 530 atoms in group subset_O(H2O) group subset_O(H2O) id 1773 1776 1779 1782 1785 1788 1791 1794 1797 1800 540 atoms in group subset_O(H2O) group subset_O(H2O) id 1803 1806 1809 1812 1815 1818 1821 1824 1827 1830 550 atoms in group subset_O(H2O) group subset_O(H2O) id 1833 1836 1839 1842 1845 1848 1851 1854 1857 1860 560 atoms in group subset_O(H2O) group subset_O(H2O) id 1863 1866 1869 1872 1875 1878 1881 1884 1887 1890 570 atoms in group subset_O(H2O) group subset_O(H2O) id 1893 1896 1899 1902 1905 1908 1911 1914 1917 1920 580 atoms in group subset_O(H2O) group subset_O(H2O) id 1923 1926 1929 1932 1935 1938 1941 1944 1947 1950 590 atoms in group subset_O(H2O) group subset_O(H2O) id 1953 1956 1959 1962 1965 1968 1971 1974 1977 1980 600 atoms in group subset_O(H2O) group subset_O(H2O) id 1983 1986 1989 1992 1995 1998 2001 2004 2007 2010 610 atoms in group subset_O(H2O) group subset_O(H2O) id 2013 2016 2019 2022 2025 2028 2031 2034 2037 2040 620 atoms in group subset_O(H2O) group subset_O(H2O) id 2043 2046 2049 2052 2055 2058 2061 2064 2067 2070 630 atoms in group subset_O(H2O) group subset_O(H2O) id 2073 2076 2079 2082 2085 2088 2091 2094 2097 2100 640 atoms in group subset_O(H2O) group subset_O(H2O) id 2103 2106 2109 2112 2115 2118 2121 2124 2127 2130 650 atoms in group subset_O(H2O) group subset_O(H2O) id 2133 2136 2139 2142 2145 2148 2151 2154 2157 2160 660 atoms in group subset_O(H2O) group subset_O(H2O) id 2163 2166 2169 2172 2175 2178 2181 2184 2187 2190 670 atoms in group subset_O(H2O) group subset_O(H2O) id 2193 2196 2199 2202 2205 2208 2211 2214 2217 2220 680 atoms in group subset_O(H2O) group subset_O(H2O) id 2223 2226 2229 2232 2235 2238 2241 2244 2247 2250 690 atoms in group subset_O(H2O) group subset_O(H2O) id 2253 2256 2259 2262 2265 2268 2271 2274 2277 2280 700 atoms in group subset_O(H2O) group subset_O(H2O) id 2283 2286 2289 2292 2295 2298 2301 2304 2307 2310 710 atoms in group subset_O(H2O) group subset_O(H2O) id 2313 2316 2319 2322 2325 2328 2331 2334 2337 2340 720 atoms in group subset_O(H2O) group subset_O(H2O) id 2343 2346 2349 2352 2355 2358 2361 2364 2367 2370 730 atoms in group subset_O(H2O) group subset_O(H2O) id 2373 2376 2379 2382 2385 2388 2391 2394 2397 2400 740 atoms in group subset_O(H2O) group subset_O(H2O) id 2403 2406 2409 2412 2415 2418 2421 2424 2427 2430 750 atoms in group subset_O(H2O) group subset_O(H2O) id 2433 2436 2439 2442 2445 2448 2451 2454 2457 2460 760 atoms in group subset_O(H2O) group subset_O(H2O) id 2463 2466 2469 2472 2475 2478 2481 2484 2487 2490 770 atoms in group subset_O(H2O) group subset_O(H2O) id 2493 2496 2499 2502 2505 2508 2511 2514 2517 2520 780 atoms in group subset_O(H2O) group subset_O(H2O) id 2523 2526 2529 2532 2535 2538 2541 2544 2547 2550 790 atoms in group subset_O(H2O) group subset_O(H2O) id 2553 2556 2559 2562 2565 2568 2571 2574 2577 2580 800 atoms in group subset_O(H2O) group subset_O(H2O) id 2583 2586 2589 2592 2595 2598 2601 2604 2607 2610 810 atoms in group subset_O(H2O) group subset_O(H2O) id 2613 2616 2619 2622 2625 2628 2631 2634 2637 2640 820 atoms in group subset_O(H2O) group subset_O(H2O) id 2643 2646 2649 2652 2655 2658 2661 2664 2667 2670 830 atoms in group subset_O(H2O) group subset_O(H2O) id 2673 2676 2679 2682 2685 2688 2691 2694 2697 2700 840 atoms in group subset_O(H2O) group subset_O(H2O) id 2703 2706 2709 2712 2715 2718 2721 2724 2727 2730 850 atoms in group subset_O(H2O) group subset_O(H2O) id 2733 2736 2739 2742 2745 2748 2751 2754 2757 2760 860 atoms in group subset_O(H2O) group subset_O(H2O) id 2763 2766 2769 2772 2775 2778 2781 2784 2787 2790 870 atoms in group subset_O(H2O) group subset_O(H2O) id 2793 2796 2799 2802 2805 2808 2811 2814 2817 2820 880 atoms in group subset_O(H2O) group subset_O(H2O) id 2823 2826 2829 2832 2835 2838 2841 2844 2847 2850 890 atoms in group subset_O(H2O) group subset_O(H2O) id 2853 2856 2859 2862 2865 2868 2871 2874 2877 2880 900 atoms in group subset_O(H2O) group subset_O(H2O) id 2883 2886 2889 2892 2895 2898 2901 2904 2907 2910 910 atoms in group subset_O(H2O) group subset_O(H2O) id 2913 2916 2919 2922 2925 2928 2931 2934 2937 2940 920 atoms in group subset_O(H2O) group subset_O(H2O) id 2943 2946 2949 2952 2955 2958 2961 2964 2967 2970 930 atoms in group subset_O(H2O) group subset_O(H2O) id 2973 2976 2979 2982 2985 2988 2991 2994 2997 3000 940 atoms in group subset_O(H2O) group subset_O(H2O) id 3003 3006 3009 3012 3015 3018 3021 3024 3027 3030 950 atoms in group subset_O(H2O) group subset_O(H2O) id 3033 3036 3039 3042 3045 3048 3051 3054 3057 3060 960 atoms in group subset_O(H2O) group subset_O(H2O) id 3063 3066 3069 3072 3075 3078 3081 3084 3087 3090 970 atoms in group subset_O(H2O) group subset_O(H2O) id 3093 3096 3099 3102 3105 3108 3111 3114 3117 3120 980 atoms in group subset_O(H2O) group subset_O(H2O) id 3123 3126 3129 3132 3135 3138 3141 3144 3147 3150 990 atoms in group subset_O(H2O) group subset_O(H2O) id 3153 3156 3159 3162 3165 3168 3171 3174 3177 3180 1000 atoms in group subset_O(H2O) group subset_O(H2O) id 3183 3186 3189 3192 3195 3198 3201 3204 3207 3210 1010 atoms in group subset_O(H2O) group subset_O(H2O) id 3213 3216 3219 3222 3225 3228 3231 3234 3237 3240 1020 atoms in group subset_O(H2O) group subset_O(H2O) id 3243 3246 3249 3252 3255 3258 3261 3264 3267 3270 1030 atoms in group subset_O(H2O) group subset_O(H2O) id 3273 3276 3279 3282 3285 3288 3291 3294 3297 3300 1040 atoms in group subset_O(H2O) group subset_O(H2O) id 3303 3306 3309 3312 3315 3318 3321 3324 3327 3330 1050 atoms in group subset_O(H2O) group subset_O(H2O) id 3333 3336 3339 3342 3345 3348 3351 3354 3357 3360 1060 atoms in group subset_O(H2O) group subset_O(H2O) id 3363 3366 3369 3372 3375 3378 3381 3384 3387 3390 1070 atoms in group subset_O(H2O) group subset_O(H2O) id 3393 3396 3399 3402 3405 3408 3411 3414 3417 3420 1080 atoms in group subset_O(H2O) group subset_O(H2O) id 3423 3426 3429 3432 3435 3438 3441 3444 3447 3450 1090 atoms in group subset_O(H2O) group subset_O(H2O) id 3453 3456 3459 3462 3465 3468 3471 3474 3477 3480 1100 atoms in group subset_O(H2O) group subset_O(H2O) id 3483 3486 3489 3492 3495 3498 3501 3504 3507 3510 1110 atoms in group subset_O(H2O) group subset_O(H2O) id 3513 3516 3519 3522 3525 3528 3531 3534 3537 3540 1120 atoms in group subset_O(H2O) group subset_O(H2O) id 3543 3546 3549 3552 3555 3558 3561 3564 3567 3570 1130 atoms in group subset_O(H2O) group subset_O(H2O) id 3573 3576 3579 3582 3585 3588 3591 3594 3597 3600 1140 atoms in group subset_O(H2O) group subset_O(H2O) id 3603 3606 3609 3612 3615 3618 3621 3624 3627 3630 1150 atoms in group subset_O(H2O) group subset_O(H2O) id 3633 3636 3639 3642 3645 3648 3651 3654 3657 3660 1160 atoms in group subset_O(H2O) group subset_O(H2O) id 3663 3666 3669 3672 3675 3678 3681 3684 3687 3690 1170 atoms in group subset_O(H2O) group subset_O(H2O) id 3693 3696 3699 3702 3705 3708 3711 3714 3717 3720 1180 atoms in group subset_O(H2O) group subset_O(H2O) id 3723 3726 3729 3732 3735 3738 3741 3744 3747 3750 1190 atoms in group subset_O(H2O) group subset_O(H2O) id 3753 3756 3759 3762 3765 3768 3771 3774 3777 3780 1200 atoms in group subset_O(H2O) group subset_O(H2O) id 3783 3786 3789 3792 3795 3798 3801 3804 3807 3810 1210 atoms in group subset_O(H2O) group subset_O(H2O) id 3813 3816 3819 3822 3825 3828 3831 3834 3837 3840 1220 atoms in group subset_O(H2O) group subset_O(H2O) id 3843 3846 3849 3852 3855 3858 3861 3864 3867 3870 1230 atoms in group subset_O(H2O) group subset_O(H2O) id 3873 3876 3879 3882 3885 3888 3891 3894 3897 3900 1240 atoms in group subset_O(H2O) group subset_O(H2O) id 3903 3906 3909 3912 3915 3918 3921 3924 3927 3930 1250 atoms in group subset_O(H2O) group subset_O(H2O) id 3933 3936 3939 3942 3945 3948 3951 3954 3957 3960 1260 atoms in group subset_O(H2O) group subset_O(H2O) id 3963 3966 3969 3972 3975 3978 3981 3984 3987 3990 1270 atoms in group subset_O(H2O) group subset_O(H2O) id 3993 3996 3999 4002 4005 4008 4011 4014 4017 4020 1280 atoms in group subset_O(H2O) group subset_O(H2O) id 4023 4026 4029 4032 4035 4038 4041 4044 4047 4050 1290 atoms in group subset_O(H2O) group subset_O(H2O) id 4053 4056 4059 4062 4065 4068 4071 4074 4077 4080 1300 atoms in group subset_O(H2O) group subset_O(H2O) id 4083 4086 4089 4092 4095 4098 4101 4104 4107 4110 1310 atoms in group subset_O(H2O) group subset_O(H2O) id 4113 4116 4119 4122 4125 4128 4131 4134 4137 4140 1320 atoms in group subset_O(H2O) group subset_O(H2O) id 4143 4146 4149 4152 4155 4158 4161 4164 4167 4170 1330 atoms in group subset_O(H2O) group subset_O(H2O) id 4173 4176 4179 4182 4185 4188 4191 4194 4197 4200 1340 atoms in group subset_O(H2O) group subset_O(H2O) id 4203 4206 4209 4212 4215 4218 4221 4224 4227 4230 1350 atoms in group subset_O(H2O) group subset_O(H2O) id 4233 4236 4239 4242 4245 4248 4251 4254 4257 4260 1360 atoms in group subset_O(H2O) group subset_O(H2O) id 4263 4266 4269 4272 4275 4278 4281 4284 4287 4290 1370 atoms in group subset_O(H2O) group subset_O(H2O) id 4293 4296 4299 4302 4305 4308 4311 4314 4317 4320 1380 atoms in group subset_O(H2O) group subset_O(H2O) id 4323 4326 4329 4332 4335 4338 4341 4344 4347 4350 1390 atoms in group subset_O(H2O) group subset_O(H2O) id 4353 4356 4359 4362 4365 4368 4371 4374 4377 4380 1400 atoms in group subset_O(H2O) group subset_O(H2O) id 4383 4386 4389 4392 4395 4398 4401 4404 4407 4410 1410 atoms in group subset_O(H2O) group subset_O(H2O) id 4413 4416 4419 4422 4425 4428 4431 4434 4437 4440 1420 atoms in group subset_O(H2O) group subset_O(H2O) id 4443 4446 4449 4452 4455 4458 4461 4464 4467 4470 1430 atoms in group subset_O(H2O) group subset_O(H2O) id 4473 4476 4479 4482 4485 4488 4491 4494 4497 4500 1440 atoms in group subset_O(H2O) group subset_O(H2O) id 4503 4506 4509 4512 4515 4518 4521 4524 4527 4530 1450 atoms in group subset_O(H2O) group subset_O(H2O) id 4533 4536 4539 4542 4545 4548 4551 4554 4557 4560 1460 atoms in group subset_O(H2O) group subset_O(H2O) id 4563 4566 4569 4572 4575 4578 4581 4584 4587 4590 1470 atoms in group subset_O(H2O) group subset_O(H2O) id 4593 4596 4599 4602 4605 4608 4611 4614 4617 4620 1480 atoms in group subset_O(H2O) group subset_O(H2O) id 4623 4626 4629 4632 4635 4638 4641 4644 4647 4650 1490 atoms in group subset_O(H2O) group subset_O(H2O) id 4653 4656 4659 4662 4665 4668 4671 4674 4677 4680 1500 atoms in group subset_O(H2O) group subset_O(H2O) id 4683 4686 4689 4692 4695 4698 4701 4704 4707 4710 1510 atoms in group subset_O(H2O) group subset_O(H2O) id 4713 4716 4719 4722 4725 4728 4731 4734 4737 4740 1520 atoms in group subset_O(H2O) group subset_O(H2O) id 4743 4746 4749 4752 4755 4758 4761 4764 4767 4770 1530 atoms in group subset_O(H2O) group subset_O(H2O) id 4773 4776 4779 4782 4785 4788 4791 4794 4797 4800 1540 atoms in group subset_O(H2O) group subset_O(H2O) id 4803 4806 4809 4812 4815 4818 4821 4824 4827 4830 1550 atoms in group subset_O(H2O) group subset_O(H2O) id 4833 4836 4839 4842 4845 4848 4851 4854 4857 4860 1560 atoms in group subset_O(H2O) group subset_O(H2O) id 4863 4866 4869 4872 4875 4878 4881 4884 4887 4890 1570 atoms in group subset_O(H2O) group subset_O(H2O) id 4893 4896 4899 4902 4905 4908 4911 4914 4917 4920 1580 atoms in group subset_O(H2O) group subset_O(H2O) id 4923 4926 4929 4932 4935 4938 4941 4944 4947 4950 1590 atoms in group subset_O(H2O) group subset_O(H2O) id 4953 4956 4959 4962 4965 4968 4971 4974 4977 4980 1600 atoms in group subset_O(H2O) group subset_O(H2O) id 4983 4986 4989 4992 4995 4998 5001 5004 5007 5010 1610 atoms in group subset_O(H2O) group subset_O(H2O) id 5013 5016 5019 5022 5025 5028 5031 5034 5037 5040 1620 atoms in group subset_O(H2O) group subset_O(H2O) id 5043 5046 5049 5052 5055 5058 5061 5064 5067 5070 1630 atoms in group subset_O(H2O) group subset_O(H2O) id 5073 5076 5079 5082 5085 5088 5091 5094 5097 5100 1640 atoms in group subset_O(H2O) group subset_O(H2O) id 5103 5106 5109 5112 5115 5118 5121 5124 5127 5130 1650 atoms in group subset_O(H2O) group subset_O(H2O) id 5133 5136 5139 5142 5145 5148 5151 5154 5157 5160 1660 atoms in group subset_O(H2O) group subset_O(H2O) id 5163 5166 5169 5172 5175 5178 5181 5184 5187 5190 1670 atoms in group subset_O(H2O) group subset_O(H2O) id 5193 5196 5199 5202 5205 5208 5211 5214 5217 5220 1680 atoms in group subset_O(H2O) group subset_O(H2O) id 5223 5226 5229 5232 5235 5238 5241 5244 5247 5250 1690 atoms in group subset_O(H2O) group subset_O(H2O) id 5253 5256 5259 5262 5265 5268 5271 5274 5277 5280 1700 atoms in group subset_O(H2O) group subset_O(H2O) id 5283 5286 5289 5292 5295 5298 5301 5304 5307 5310 1710 atoms in group subset_O(H2O) group subset_O(H2O) id 5313 5316 5319 5322 5325 5328 5331 5334 5337 5340 1720 atoms in group subset_O(H2O) group subset_O(H2O) id 5343 5346 5349 5352 5355 5358 5361 5364 5367 5370 1730 atoms in group subset_O(H2O) group subset_O(H2O) id 5373 5376 5379 5382 5385 5388 5391 5394 5397 5400 1740 atoms in group subset_O(H2O) group subset_O(H2O) id 5403 5406 5409 5412 5415 5418 5421 5424 5427 5430 1750 atoms in group subset_O(H2O) group subset_O(H2O) id 5433 5436 5439 5442 5445 5448 5451 5454 5457 5460 1760 atoms in group subset_O(H2O) group subset_O(H2O) id 5463 5466 5469 5472 5475 5478 5481 5484 5487 5490 1770 atoms in group subset_O(H2O) group subset_O(H2O) id 5493 5496 5499 5502 5505 5508 5511 5514 5517 5520 1780 atoms in group subset_O(H2O) group subset_O(H2O) id 5523 5526 5529 5532 5535 5538 5541 5544 5547 5550 1790 atoms in group subset_O(H2O) group subset_O(H2O) id 5553 5556 5559 5562 5565 5568 5571 5574 5577 5580 1800 atoms in group subset_O(H2O) group subset_O(H2O) id 5583 5586 5589 5592 5595 5598 5601 5604 5607 5610 1810 atoms in group subset_O(H2O) group subset_O(H2O) id 5613 5616 5619 5622 5625 5628 5631 5634 5637 5640 1820 atoms in group subset_O(H2O) group subset_O(H2O) id 5643 5646 5649 5652 5655 5658 5661 5664 5667 5670 1830 atoms in group subset_O(H2O) group subset_O(H2O) id 5673 5676 5679 5682 5685 5688 5691 5694 5697 5700 1840 atoms in group subset_O(H2O) group subset_O(H2O) id 5703 5706 5709 5712 5715 5718 5721 5724 5727 5730 1850 atoms in group subset_O(H2O) group subset_O(H2O) id 5733 5736 5739 5742 5745 5748 5751 5754 5757 5760 1860 atoms in group subset_O(H2O) group subset_O(H2O) id 5763 5766 5769 5772 5775 5778 5781 5784 5787 5790 1870 atoms in group subset_O(H2O) group subset_O(H2O) id 5793 5796 5799 5802 5805 5808 5811 5814 5817 5820 1880 atoms in group subset_O(H2O) group subset_O(H2O) id 5823 5826 5829 5832 5835 5838 5841 5844 5847 5850 1890 atoms in group subset_O(H2O) group subset_O(H2O) id 5853 5856 5859 5862 5865 5868 5871 5874 5877 5880 1900 atoms in group subset_O(H2O) group subset_O(H2O) id 5883 5886 5889 5892 5895 5898 5901 5904 5907 5910 1910 atoms in group subset_O(H2O) group subset_O(H2O) id 5913 5916 5919 5922 5925 5928 5931 5934 5937 5940 1920 atoms in group subset_O(H2O) group subset_O(H2O) id 5943 5946 5949 5952 5955 5958 5961 5964 5967 5970 1930 atoms in group subset_O(H2O) group subset_O(H2O) id 5973 5976 5979 5982 5985 5988 5991 5994 5997 6000 1940 atoms in group subset_O(H2O) group subset_O(H2O) id 6003 6006 6009 6012 6015 6018 6021 6024 6027 1949 atoms in group subset_O(H2O) group subset_H(H2O) id 184 185 187 188 190 191 193 194 196 197 10 atoms in group subset_H(H2O) group subset_H(H2O) id 199 200 202 203 205 206 208 209 211 212 20 atoms in group subset_H(H2O) group subset_H(H2O) id 214 215 217 218 220 221 223 224 226 227 30 atoms in group subset_H(H2O) group subset_H(H2O) id 229 230 232 233 235 236 238 239 241 242 40 atoms in group subset_H(H2O) group subset_H(H2O) id 244 245 247 248 250 251 253 254 256 257 50 atoms in group subset_H(H2O) group subset_H(H2O) id 259 260 262 263 265 266 268 269 271 272 60 atoms in group subset_H(H2O) group subset_H(H2O) id 274 275 277 278 280 281 283 284 286 287 70 atoms in group subset_H(H2O) group subset_H(H2O) id 289 290 292 293 295 296 298 299 301 302 80 atoms in group subset_H(H2O) group subset_H(H2O) id 304 305 307 308 310 311 313 314 316 317 90 atoms in group subset_H(H2O) group subset_H(H2O) id 319 320 322 323 325 326 328 329 331 332 100 atoms in group subset_H(H2O) group subset_H(H2O) id 334 335 337 338 340 341 343 344 346 347 110 atoms in group subset_H(H2O) group subset_H(H2O) id 349 350 352 353 355 356 358 359 361 362 120 atoms in group subset_H(H2O) group subset_H(H2O) id 364 365 367 368 370 371 373 374 376 377 130 atoms in group subset_H(H2O) group subset_H(H2O) id 379 380 382 383 385 386 388 389 391 392 140 atoms in group subset_H(H2O) group subset_H(H2O) id 394 395 397 398 400 401 403 404 406 407 150 atoms in group subset_H(H2O) group subset_H(H2O) id 409 410 412 413 415 416 418 419 421 422 160 atoms in group subset_H(H2O) group subset_H(H2O) id 424 425 427 428 430 431 433 434 436 437 170 atoms in group subset_H(H2O) group subset_H(H2O) id 439 440 442 443 445 446 448 449 451 452 180 atoms in group subset_H(H2O) group subset_H(H2O) id 454 455 457 458 460 461 463 464 466 467 190 atoms in group subset_H(H2O) group subset_H(H2O) id 469 470 472 473 475 476 478 479 481 482 200 atoms in group subset_H(H2O) group subset_H(H2O) id 484 485 487 488 490 491 493 494 496 497 210 atoms in group subset_H(H2O) group subset_H(H2O) id 499 500 502 503 505 506 508 509 511 512 220 atoms in group subset_H(H2O) group subset_H(H2O) id 514 515 517 518 520 521 523 524 526 527 230 atoms in group subset_H(H2O) group subset_H(H2O) id 529 530 532 533 535 536 538 539 541 542 240 atoms in group subset_H(H2O) group subset_H(H2O) id 544 545 547 548 550 551 553 554 556 557 250 atoms in group subset_H(H2O) group subset_H(H2O) id 559 560 562 563 565 566 568 569 571 572 260 atoms in group subset_H(H2O) group subset_H(H2O) id 574 575 577 578 580 581 583 584 586 587 270 atoms in group subset_H(H2O) group subset_H(H2O) id 589 590 592 593 595 596 598 599 601 602 280 atoms in group subset_H(H2O) group subset_H(H2O) id 604 605 607 608 610 611 613 614 616 617 290 atoms in group subset_H(H2O) group subset_H(H2O) id 619 620 622 623 625 626 628 629 631 632 300 atoms in group subset_H(H2O) group subset_H(H2O) id 634 635 637 638 640 641 643 644 646 647 310 atoms in group subset_H(H2O) group subset_H(H2O) id 649 650 652 653 655 656 658 659 661 662 320 atoms in group subset_H(H2O) group subset_H(H2O) id 664 665 667 668 670 671 673 674 676 677 330 atoms in group subset_H(H2O) group subset_H(H2O) id 679 680 682 683 685 686 688 689 691 692 340 atoms in group subset_H(H2O) group subset_H(H2O) id 694 695 697 698 700 701 703 704 706 707 350 atoms in group subset_H(H2O) group subset_H(H2O) id 709 710 712 713 715 716 718 719 721 722 360 atoms in group subset_H(H2O) group subset_H(H2O) id 724 725 727 728 730 731 733 734 736 737 370 atoms in group subset_H(H2O) group subset_H(H2O) id 739 740 742 743 745 746 748 749 751 752 380 atoms in group subset_H(H2O) group subset_H(H2O) id 754 755 757 758 760 761 763 764 766 767 390 atoms in group subset_H(H2O) group subset_H(H2O) id 769 770 772 773 775 776 778 779 781 782 400 atoms in group subset_H(H2O) group subset_H(H2O) id 784 785 787 788 790 791 793 794 796 797 410 atoms in group subset_H(H2O) group subset_H(H2O) id 799 800 802 803 805 806 808 809 811 812 420 atoms in group subset_H(H2O) group subset_H(H2O) id 814 815 817 818 820 821 823 824 826 827 430 atoms in group subset_H(H2O) group subset_H(H2O) id 829 830 832 833 835 836 838 839 841 842 440 atoms in group subset_H(H2O) group subset_H(H2O) id 844 845 847 848 850 851 853 854 856 857 450 atoms in group subset_H(H2O) group subset_H(H2O) id 859 860 862 863 865 866 868 869 871 872 460 atoms in group subset_H(H2O) group subset_H(H2O) id 874 875 877 878 880 881 883 884 886 887 470 atoms in group subset_H(H2O) group subset_H(H2O) id 889 890 892 893 895 896 898 899 901 902 480 atoms in group subset_H(H2O) group subset_H(H2O) id 904 905 907 908 910 911 913 914 916 917 490 atoms in group subset_H(H2O) group subset_H(H2O) id 919 920 922 923 925 926 928 929 931 932 500 atoms in group subset_H(H2O) group subset_H(H2O) id 934 935 937 938 940 941 943 944 946 947 510 atoms in group subset_H(H2O) group subset_H(H2O) id 949 950 952 953 955 956 958 959 961 962 520 atoms in group subset_H(H2O) group subset_H(H2O) id 964 965 967 968 970 971 973 974 976 977 530 atoms in group subset_H(H2O) group subset_H(H2O) id 979 980 982 983 985 986 988 989 991 992 540 atoms in group subset_H(H2O) group subset_H(H2O) id 994 995 997 998 1000 1001 1003 1004 1006 1007 550 atoms in group subset_H(H2O) group subset_H(H2O) id 1009 1010 1012 1013 1015 1016 1018 1019 1021 1022 560 atoms in group subset_H(H2O) group subset_H(H2O) id 1024 1025 1027 1028 1030 1031 1033 1034 1036 1037 570 atoms in group subset_H(H2O) group subset_H(H2O) id 1039 1040 1042 1043 1045 1046 1048 1049 1051 1052 580 atoms in group subset_H(H2O) group subset_H(H2O) id 1054 1055 1057 1058 1060 1061 1063 1064 1066 1067 590 atoms in group subset_H(H2O) group subset_H(H2O) id 1069 1070 1072 1073 1075 1076 1078 1079 1081 1082 600 atoms in group subset_H(H2O) group subset_H(H2O) id 1084 1085 1087 1088 1090 1091 1093 1094 1096 1097 610 atoms in group subset_H(H2O) group subset_H(H2O) id 1099 1100 1102 1103 1105 1106 1108 1109 1111 1112 620 atoms in group subset_H(H2O) group subset_H(H2O) id 1114 1115 1117 1118 1120 1121 1123 1124 1126 1127 630 atoms in group subset_H(H2O) group subset_H(H2O) id 1129 1130 1132 1133 1135 1136 1138 1139 1141 1142 640 atoms in group subset_H(H2O) group subset_H(H2O) id 1144 1145 1147 1148 1150 1151 1153 1154 1156 1157 650 atoms in group subset_H(H2O) group subset_H(H2O) id 1159 1160 1162 1163 1165 1166 1168 1169 1171 1172 660 atoms in group subset_H(H2O) group subset_H(H2O) id 1174 1175 1177 1178 1180 1181 1183 1184 1186 1187 670 atoms in group subset_H(H2O) group subset_H(H2O) id 1189 1190 1192 1193 1195 1196 1198 1199 1201 1202 680 atoms in group subset_H(H2O) group subset_H(H2O) id 1204 1205 1207 1208 1210 1211 1213 1214 1216 1217 690 atoms in group subset_H(H2O) group subset_H(H2O) id 1219 1220 1222 1223 1225 1226 1228 1229 1231 1232 700 atoms in group subset_H(H2O) group subset_H(H2O) id 1234 1235 1237 1238 1240 1241 1243 1244 1246 1247 710 atoms in group subset_H(H2O) group subset_H(H2O) id 1249 1250 1252 1253 1255 1256 1258 1259 1261 1262 720 atoms in group subset_H(H2O) group subset_H(H2O) id 1264 1265 1267 1268 1270 1271 1273 1274 1276 1277 730 atoms in group subset_H(H2O) group subset_H(H2O) id 1279 1280 1282 1283 1285 1286 1288 1289 1291 1292 740 atoms in group subset_H(H2O) group subset_H(H2O) id 1294 1295 1297 1298 1300 1301 1303 1304 1306 1307 750 atoms in group subset_H(H2O) group subset_H(H2O) id 1309 1310 1312 1313 1315 1316 1318 1319 1321 1322 760 atoms in group subset_H(H2O) group subset_H(H2O) id 1324 1325 1327 1328 1330 1331 1333 1334 1336 1337 770 atoms in group subset_H(H2O) group subset_H(H2O) id 1339 1340 1342 1343 1345 1346 1348 1349 1351 1352 780 atoms in group subset_H(H2O) group subset_H(H2O) id 1354 1355 1357 1358 1360 1361 1363 1364 1366 1367 790 atoms in group subset_H(H2O) group subset_H(H2O) id 1369 1370 1372 1373 1375 1376 1378 1379 1381 1382 800 atoms in group subset_H(H2O) group subset_H(H2O) id 1384 1385 1387 1388 1390 1391 1393 1394 1396 1397 810 atoms in group subset_H(H2O) group subset_H(H2O) id 1399 1400 1402 1403 1405 1406 1408 1409 1411 1412 820 atoms in group subset_H(H2O) group subset_H(H2O) id 1414 1415 1417 1418 1420 1421 1423 1424 1426 1427 830 atoms in group subset_H(H2O) group subset_H(H2O) id 1429 1430 1432 1433 1435 1436 1438 1439 1441 1442 840 atoms in group subset_H(H2O) group subset_H(H2O) id 1444 1445 1447 1448 1450 1451 1453 1454 1456 1457 850 atoms in group subset_H(H2O) group subset_H(H2O) id 1459 1460 1462 1463 1465 1466 1468 1469 1471 1472 860 atoms in group subset_H(H2O) group subset_H(H2O) id 1474 1475 1477 1478 1480 1481 1483 1484 1486 1487 870 atoms in group subset_H(H2O) group subset_H(H2O) id 1489 1490 1492 1493 1495 1496 1498 1499 1501 1502 880 atoms in group subset_H(H2O) group subset_H(H2O) id 1504 1505 1507 1508 1510 1511 1513 1514 1516 1517 890 atoms in group subset_H(H2O) group subset_H(H2O) id 1519 1520 1522 1523 1525 1526 1528 1529 1531 1532 900 atoms in group subset_H(H2O) group subset_H(H2O) id 1534 1535 1537 1538 1540 1541 1543 1544 1546 1547 910 atoms in group subset_H(H2O) group subset_H(H2O) id 1549 1550 1552 1553 1555 1556 1558 1559 1561 1562 920 atoms in group subset_H(H2O) group subset_H(H2O) id 1564 1565 1567 1568 1570 1571 1573 1574 1576 1577 930 atoms in group subset_H(H2O) group subset_H(H2O) id 1579 1580 1582 1583 1585 1586 1588 1589 1591 1592 940 atoms in group subset_H(H2O) group subset_H(H2O) id 1594 1595 1597 1598 1600 1601 1603 1604 1606 1607 950 atoms in group subset_H(H2O) group subset_H(H2O) id 1609 1610 1612 1613 1615 1616 1618 1619 1621 1622 960 atoms in group subset_H(H2O) group subset_H(H2O) id 1624 1625 1627 1628 1630 1631 1633 1634 1636 1637 970 atoms in group subset_H(H2O) group subset_H(H2O) id 1639 1640 1642 1643 1645 1646 1648 1649 1651 1652 980 atoms in group subset_H(H2O) group subset_H(H2O) id 1654 1655 1657 1658 1660 1661 1663 1664 1666 1667 990 atoms in group subset_H(H2O) group subset_H(H2O) id 1669 1670 1672 1673 1675 1676 1678 1679 1681 1682 1000 atoms in group subset_H(H2O) group subset_H(H2O) id 1684 1685 1687 1688 1690 1691 1693 1694 1696 1697 1010 atoms in group subset_H(H2O) group subset_H(H2O) id 1699 1700 1702 1703 1705 1706 1708 1709 1711 1712 1020 atoms in group subset_H(H2O) group subset_H(H2O) id 1714 1715 1717 1718 1720 1721 1723 1724 1726 1727 1030 atoms in group subset_H(H2O) group subset_H(H2O) id 1729 1730 1732 1733 1735 1736 1738 1739 1741 1742 1040 atoms in group subset_H(H2O) group subset_H(H2O) id 1744 1745 1747 1748 1750 1751 1753 1754 1756 1757 1050 atoms in group subset_H(H2O) group subset_H(H2O) id 1759 1760 1762 1763 1765 1766 1768 1769 1771 1772 1060 atoms in group subset_H(H2O) group subset_H(H2O) id 1774 1775 1777 1778 1780 1781 1783 1784 1786 1787 1070 atoms in group subset_H(H2O) group subset_H(H2O) id 1789 1790 1792 1793 1795 1796 1798 1799 1801 1802 1080 atoms in group subset_H(H2O) group subset_H(H2O) id 1804 1805 1807 1808 1810 1811 1813 1814 1816 1817 1090 atoms in group subset_H(H2O) group subset_H(H2O) id 1819 1820 1822 1823 1825 1826 1828 1829 1831 1832 1100 atoms in group subset_H(H2O) group subset_H(H2O) id 1834 1835 1837 1838 1840 1841 1843 1844 1846 1847 1110 atoms in group subset_H(H2O) group subset_H(H2O) id 1849 1850 1852 1853 1855 1856 1858 1859 1861 1862 1120 atoms in group subset_H(H2O) group subset_H(H2O) id 1864 1865 1867 1868 1870 1871 1873 1874 1876 1877 1130 atoms in group subset_H(H2O) group subset_H(H2O) id 1879 1880 1882 1883 1885 1886 1888 1889 1891 1892 1140 atoms in group subset_H(H2O) group subset_H(H2O) id 1894 1895 1897 1898 1900 1901 1903 1904 1906 1907 1150 atoms in group subset_H(H2O) group subset_H(H2O) id 1909 1910 1912 1913 1915 1916 1918 1919 1921 1922 1160 atoms in group subset_H(H2O) group subset_H(H2O) id 1924 1925 1927 1928 1930 1931 1933 1934 1936 1937 1170 atoms in group subset_H(H2O) group subset_H(H2O) id 1939 1940 1942 1943 1945 1946 1948 1949 1951 1952 1180 atoms in group subset_H(H2O) group subset_H(H2O) id 1954 1955 1957 1958 1960 1961 1963 1964 1966 1967 1190 atoms in group subset_H(H2O) group subset_H(H2O) id 1969 1970 1972 1973 1975 1976 1978 1979 1981 1982 1200 atoms in group subset_H(H2O) group subset_H(H2O) id 1984 1985 1987 1988 1990 1991 1993 1994 1996 1997 1210 atoms in group subset_H(H2O) group subset_H(H2O) id 1999 2000 2002 2003 2005 2006 2008 2009 2011 2012 1220 atoms in group subset_H(H2O) group subset_H(H2O) id 2014 2015 2017 2018 2020 2021 2023 2024 2026 2027 1230 atoms in group subset_H(H2O) group subset_H(H2O) id 2029 2030 2032 2033 2035 2036 2038 2039 2041 2042 1240 atoms in group subset_H(H2O) group subset_H(H2O) id 2044 2045 2047 2048 2050 2051 2053 2054 2056 2057 1250 atoms in group subset_H(H2O) group subset_H(H2O) id 2059 2060 2062 2063 2065 2066 2068 2069 2071 2072 1260 atoms in group subset_H(H2O) group subset_H(H2O) id 2074 2075 2077 2078 2080 2081 2083 2084 2086 2087 1270 atoms in group subset_H(H2O) group subset_H(H2O) id 2089 2090 2092 2093 2095 2096 2098 2099 2101 2102 1280 atoms in group subset_H(H2O) group subset_H(H2O) id 2104 2105 2107 2108 2110 2111 2113 2114 2116 2117 1290 atoms in group subset_H(H2O) group subset_H(H2O) id 2119 2120 2122 2123 2125 2126 2128 2129 2131 2132 1300 atoms in group subset_H(H2O) group subset_H(H2O) id 2134 2135 2137 2138 2140 2141 2143 2144 2146 2147 1310 atoms in group subset_H(H2O) group subset_H(H2O) id 2149 2150 2152 2153 2155 2156 2158 2159 2161 2162 1320 atoms in group subset_H(H2O) group subset_H(H2O) id 2164 2165 2167 2168 2170 2171 2173 2174 2176 2177 1330 atoms in group subset_H(H2O) group subset_H(H2O) id 2179 2180 2182 2183 2185 2186 2188 2189 2191 2192 1340 atoms in group subset_H(H2O) group subset_H(H2O) id 2194 2195 2197 2198 2200 2201 2203 2204 2206 2207 1350 atoms in group subset_H(H2O) group subset_H(H2O) id 2209 2210 2212 2213 2215 2216 2218 2219 2221 2222 1360 atoms in group subset_H(H2O) group subset_H(H2O) id 2224 2225 2227 2228 2230 2231 2233 2234 2236 2237 1370 atoms in group subset_H(H2O) group subset_H(H2O) id 2239 2240 2242 2243 2245 2246 2248 2249 2251 2252 1380 atoms in group subset_H(H2O) group subset_H(H2O) id 2254 2255 2257 2258 2260 2261 2263 2264 2266 2267 1390 atoms in group subset_H(H2O) group subset_H(H2O) id 2269 2270 2272 2273 2275 2276 2278 2279 2281 2282 1400 atoms in group subset_H(H2O) group subset_H(H2O) id 2284 2285 2287 2288 2290 2291 2293 2294 2296 2297 1410 atoms in group subset_H(H2O) group subset_H(H2O) id 2299 2300 2302 2303 2305 2306 2308 2309 2311 2312 1420 atoms in group subset_H(H2O) group subset_H(H2O) id 2314 2315 2317 2318 2320 2321 2323 2324 2326 2327 1430 atoms in group subset_H(H2O) group subset_H(H2O) id 2329 2330 2332 2333 2335 2336 2338 2339 2341 2342 1440 atoms in group subset_H(H2O) group subset_H(H2O) id 2344 2345 2347 2348 2350 2351 2353 2354 2356 2357 1450 atoms in group subset_H(H2O) group subset_H(H2O) id 2359 2360 2362 2363 2365 2366 2368 2369 2371 2372 1460 atoms in group subset_H(H2O) group subset_H(H2O) id 2374 2375 2377 2378 2380 2381 2383 2384 2386 2387 1470 atoms in group subset_H(H2O) group subset_H(H2O) id 2389 2390 2392 2393 2395 2396 2398 2399 2401 2402 1480 atoms in group subset_H(H2O) group subset_H(H2O) id 2404 2405 2407 2408 2410 2411 2413 2414 2416 2417 1490 atoms in group subset_H(H2O) group subset_H(H2O) id 2419 2420 2422 2423 2425 2426 2428 2429 2431 2432 1500 atoms in group subset_H(H2O) group subset_H(H2O) id 2434 2435 2437 2438 2440 2441 2443 2444 2446 2447 1510 atoms in group subset_H(H2O) group subset_H(H2O) id 2449 2450 2452 2453 2455 2456 2458 2459 2461 2462 1520 atoms in group subset_H(H2O) group subset_H(H2O) id 2464 2465 2467 2468 2470 2471 2473 2474 2476 2477 1530 atoms in group subset_H(H2O) group subset_H(H2O) id 2479 2480 2482 2483 2485 2486 2488 2489 2491 2492 1540 atoms in group subset_H(H2O) group subset_H(H2O) id 2494 2495 2497 2498 2500 2501 2503 2504 2506 2507 1550 atoms in group subset_H(H2O) group subset_H(H2O) id 2509 2510 2512 2513 2515 2516 2518 2519 2521 2522 1560 atoms in group subset_H(H2O) group subset_H(H2O) id 2524 2525 2527 2528 2530 2531 2533 2534 2536 2537 1570 atoms in group subset_H(H2O) group subset_H(H2O) id 2539 2540 2542 2543 2545 2546 2548 2549 2551 2552 1580 atoms in group subset_H(H2O) group subset_H(H2O) id 2554 2555 2557 2558 2560 2561 2563 2564 2566 2567 1590 atoms in group subset_H(H2O) group subset_H(H2O) id 2569 2570 2572 2573 2575 2576 2578 2579 2581 2582 1600 atoms in group subset_H(H2O) group subset_H(H2O) id 2584 2585 2587 2588 2590 2591 2593 2594 2596 2597 1610 atoms in group subset_H(H2O) group subset_H(H2O) id 2599 2600 2602 2603 2605 2606 2608 2609 2611 2612 1620 atoms in group subset_H(H2O) group subset_H(H2O) id 2614 2615 2617 2618 2620 2621 2623 2624 2626 2627 1630 atoms in group subset_H(H2O) group subset_H(H2O) id 2629 2630 2632 2633 2635 2636 2638 2639 2641 2642 1640 atoms in group subset_H(H2O) group subset_H(H2O) id 2644 2645 2647 2648 2650 2651 2653 2654 2656 2657 1650 atoms in group subset_H(H2O) group subset_H(H2O) id 2659 2660 2662 2663 2665 2666 2668 2669 2671 2672 1660 atoms in group subset_H(H2O) group subset_H(H2O) id 2674 2675 2677 2678 2680 2681 2683 2684 2686 2687 1670 atoms in group subset_H(H2O) group subset_H(H2O) id 2689 2690 2692 2693 2695 2696 2698 2699 2701 2702 1680 atoms in group subset_H(H2O) group subset_H(H2O) id 2704 2705 2707 2708 2710 2711 2713 2714 2716 2717 1690 atoms in group subset_H(H2O) group subset_H(H2O) id 2719 2720 2722 2723 2725 2726 2728 2729 2731 2732 1700 atoms in group subset_H(H2O) group subset_H(H2O) id 2734 2735 2737 2738 2740 2741 2743 2744 2746 2747 1710 atoms in group subset_H(H2O) group subset_H(H2O) id 2749 2750 2752 2753 2755 2756 2758 2759 2761 2762 1720 atoms in group subset_H(H2O) group subset_H(H2O) id 2764 2765 2767 2768 2770 2771 2773 2774 2776 2777 1730 atoms in group subset_H(H2O) group subset_H(H2O) id 2779 2780 2782 2783 2785 2786 2788 2789 2791 2792 1740 atoms in group subset_H(H2O) group subset_H(H2O) id 2794 2795 2797 2798 2800 2801 2803 2804 2806 2807 1750 atoms in group subset_H(H2O) group subset_H(H2O) id 2809 2810 2812 2813 2815 2816 2818 2819 2821 2822 1760 atoms in group subset_H(H2O) group subset_H(H2O) id 2824 2825 2827 2828 2830 2831 2833 2834 2836 2837 1770 atoms in group subset_H(H2O) group subset_H(H2O) id 2839 2840 2842 2843 2845 2846 2848 2849 2851 2852 1780 atoms in group subset_H(H2O) group subset_H(H2O) id 2854 2855 2857 2858 2860 2861 2863 2864 2866 2867 1790 atoms in group subset_H(H2O) group subset_H(H2O) id 2869 2870 2872 2873 2875 2876 2878 2879 2881 2882 1800 atoms in group subset_H(H2O) group subset_H(H2O) id 2884 2885 2887 2888 2890 2891 2893 2894 2896 2897 1810 atoms in group subset_H(H2O) group subset_H(H2O) id 2899 2900 2902 2903 2905 2906 2908 2909 2911 2912 1820 atoms in group subset_H(H2O) group subset_H(H2O) id 2914 2915 2917 2918 2920 2921 2923 2924 2926 2927 1830 atoms in group subset_H(H2O) group subset_H(H2O) id 2929 2930 2932 2933 2935 2936 2938 2939 2941 2942 1840 atoms in group subset_H(H2O) group subset_H(H2O) id 2944 2945 2947 2948 2950 2951 2953 2954 2956 2957 1850 atoms in group subset_H(H2O) group subset_H(H2O) id 2959 2960 2962 2963 2965 2966 2968 2969 2971 2972 1860 atoms in group subset_H(H2O) group subset_H(H2O) id 2974 2975 2977 2978 2980 2981 2983 2984 2986 2987 1870 atoms in group subset_H(H2O) group subset_H(H2O) id 2989 2990 2992 2993 2995 2996 2998 2999 3001 3002 1880 atoms in group subset_H(H2O) group subset_H(H2O) id 3004 3005 3007 3008 3010 3011 3013 3014 3016 3017 1890 atoms in group subset_H(H2O) group subset_H(H2O) id 3019 3020 3022 3023 3025 3026 3028 3029 3031 3032 1900 atoms in group subset_H(H2O) group subset_H(H2O) id 3034 3035 3037 3038 3040 3041 3043 3044 3046 3047 1910 atoms in group subset_H(H2O) group subset_H(H2O) id 3049 3050 3052 3053 3055 3056 3058 3059 3061 3062 1920 atoms in group subset_H(H2O) group subset_H(H2O) id 3064 3065 3067 3068 3070 3071 3073 3074 3076 3077 1930 atoms in group subset_H(H2O) group subset_H(H2O) id 3079 3080 3082 3083 3085 3086 3088 3089 3091 3092 1940 atoms in group subset_H(H2O) group subset_H(H2O) id 3094 3095 3097 3098 3100 3101 3103 3104 3106 3107 1950 atoms in group subset_H(H2O) group subset_H(H2O) id 3109 3110 3112 3113 3115 3116 3118 3119 3121 3122 1960 atoms in group subset_H(H2O) group subset_H(H2O) id 3124 3125 3127 3128 3130 3131 3133 3134 3136 3137 1970 atoms in group subset_H(H2O) group subset_H(H2O) id 3139 3140 3142 3143 3145 3146 3148 3149 3151 3152 1980 atoms in group subset_H(H2O) group subset_H(H2O) id 3154 3155 3157 3158 3160 3161 3163 3164 3166 3167 1990 atoms in group subset_H(H2O) group subset_H(H2O) id 3169 3170 3172 3173 3175 3176 3178 3179 3181 3182 2000 atoms in group subset_H(H2O) group subset_H(H2O) id 3184 3185 3187 3188 3190 3191 3193 3194 3196 3197 2010 atoms in group subset_H(H2O) group subset_H(H2O) id 3199 3200 3202 3203 3205 3206 3208 3209 3211 3212 2020 atoms in group subset_H(H2O) group subset_H(H2O) id 3214 3215 3217 3218 3220 3221 3223 3224 3226 3227 2030 atoms in group subset_H(H2O) group subset_H(H2O) id 3229 3230 3232 3233 3235 3236 3238 3239 3241 3242 2040 atoms in group subset_H(H2O) group subset_H(H2O) id 3244 3245 3247 3248 3250 3251 3253 3254 3256 3257 2050 atoms in group subset_H(H2O) group subset_H(H2O) id 3259 3260 3262 3263 3265 3266 3268 3269 3271 3272 2060 atoms in group subset_H(H2O) group subset_H(H2O) id 3274 3275 3277 3278 3280 3281 3283 3284 3286 3287 2070 atoms in group subset_H(H2O) group subset_H(H2O) id 3289 3290 3292 3293 3295 3296 3298 3299 3301 3302 2080 atoms in group subset_H(H2O) group subset_H(H2O) id 3304 3305 3307 3308 3310 3311 3313 3314 3316 3317 2090 atoms in group subset_H(H2O) group subset_H(H2O) id 3319 3320 3322 3323 3325 3326 3328 3329 3331 3332 2100 atoms in group subset_H(H2O) group subset_H(H2O) id 3334 3335 3337 3338 3340 3341 3343 3344 3346 3347 2110 atoms in group subset_H(H2O) group subset_H(H2O) id 3349 3350 3352 3353 3355 3356 3358 3359 3361 3362 2120 atoms in group subset_H(H2O) group subset_H(H2O) id 3364 3365 3367 3368 3370 3371 3373 3374 3376 3377 2130 atoms in group subset_H(H2O) group subset_H(H2O) id 3379 3380 3382 3383 3385 3386 3388 3389 3391 3392 2140 atoms in group subset_H(H2O) group subset_H(H2O) id 3394 3395 3397 3398 3400 3401 3403 3404 3406 3407 2150 atoms in group subset_H(H2O) group subset_H(H2O) id 3409 3410 3412 3413 3415 3416 3418 3419 3421 3422 2160 atoms in group subset_H(H2O) group subset_H(H2O) id 3424 3425 3427 3428 3430 3431 3433 3434 3436 3437 2170 atoms in group subset_H(H2O) group subset_H(H2O) id 3439 3440 3442 3443 3445 3446 3448 3449 3451 3452 2180 atoms in group subset_H(H2O) group subset_H(H2O) id 3454 3455 3457 3458 3460 3461 3463 3464 3466 3467 2190 atoms in group subset_H(H2O) group subset_H(H2O) id 3469 3470 3472 3473 3475 3476 3478 3479 3481 3482 2200 atoms in group subset_H(H2O) group subset_H(H2O) id 3484 3485 3487 3488 3490 3491 3493 3494 3496 3497 2210 atoms in group subset_H(H2O) group subset_H(H2O) id 3499 3500 3502 3503 3505 3506 3508 3509 3511 3512 2220 atoms in group subset_H(H2O) group subset_H(H2O) id 3514 3515 3517 3518 3520 3521 3523 3524 3526 3527 2230 atoms in group subset_H(H2O) group subset_H(H2O) id 3529 3530 3532 3533 3535 3536 3538 3539 3541 3542 2240 atoms in group subset_H(H2O) group subset_H(H2O) id 3544 3545 3547 3548 3550 3551 3553 3554 3556 3557 2250 atoms in group subset_H(H2O) group subset_H(H2O) id 3559 3560 3562 3563 3565 3566 3568 3569 3571 3572 2260 atoms in group subset_H(H2O) group subset_H(H2O) id 3574 3575 3577 3578 3580 3581 3583 3584 3586 3587 2270 atoms in group subset_H(H2O) group subset_H(H2O) id 3589 3590 3592 3593 3595 3596 3598 3599 3601 3602 2280 atoms in group subset_H(H2O) group subset_H(H2O) id 3604 3605 3607 3608 3610 3611 3613 3614 3616 3617 2290 atoms in group subset_H(H2O) group subset_H(H2O) id 3619 3620 3622 3623 3625 3626 3628 3629 3631 3632 2300 atoms in group subset_H(H2O) group subset_H(H2O) id 3634 3635 3637 3638 3640 3641 3643 3644 3646 3647 2310 atoms in group subset_H(H2O) group subset_H(H2O) id 3649 3650 3652 3653 3655 3656 3658 3659 3661 3662 2320 atoms in group subset_H(H2O) group subset_H(H2O) id 3664 3665 3667 3668 3670 3671 3673 3674 3676 3677 2330 atoms in group subset_H(H2O) group subset_H(H2O) id 3679 3680 3682 3683 3685 3686 3688 3689 3691 3692 2340 atoms in group subset_H(H2O) group subset_H(H2O) id 3694 3695 3697 3698 3700 3701 3703 3704 3706 3707 2350 atoms in group subset_H(H2O) group subset_H(H2O) id 3709 3710 3712 3713 3715 3716 3718 3719 3721 3722 2360 atoms in group subset_H(H2O) group subset_H(H2O) id 3724 3725 3727 3728 3730 3731 3733 3734 3736 3737 2370 atoms in group subset_H(H2O) group subset_H(H2O) id 3739 3740 3742 3743 3745 3746 3748 3749 3751 3752 2380 atoms in group subset_H(H2O) group subset_H(H2O) id 3754 3755 3757 3758 3760 3761 3763 3764 3766 3767 2390 atoms in group subset_H(H2O) group subset_H(H2O) id 3769 3770 3772 3773 3775 3776 3778 3779 3781 3782 2400 atoms in group subset_H(H2O) group subset_H(H2O) id 3784 3785 3787 3788 3790 3791 3793 3794 3796 3797 2410 atoms in group subset_H(H2O) group subset_H(H2O) id 3799 3800 3802 3803 3805 3806 3808 3809 3811 3812 2420 atoms in group subset_H(H2O) group subset_H(H2O) id 3814 3815 3817 3818 3820 3821 3823 3824 3826 3827 2430 atoms in group subset_H(H2O) group subset_H(H2O) id 3829 3830 3832 3833 3835 3836 3838 3839 3841 3842 2440 atoms in group subset_H(H2O) group subset_H(H2O) id 3844 3845 3847 3848 3850 3851 3853 3854 3856 3857 2450 atoms in group subset_H(H2O) group subset_H(H2O) id 3859 3860 3862 3863 3865 3866 3868 3869 3871 3872 2460 atoms in group subset_H(H2O) group subset_H(H2O) id 3874 3875 3877 3878 3880 3881 3883 3884 3886 3887 2470 atoms in group subset_H(H2O) group subset_H(H2O) id 3889 3890 3892 3893 3895 3896 3898 3899 3901 3902 2480 atoms in group subset_H(H2O) group subset_H(H2O) id 3904 3905 3907 3908 3910 3911 3913 3914 3916 3917 2490 atoms in group subset_H(H2O) group subset_H(H2O) id 3919 3920 3922 3923 3925 3926 3928 3929 3931 3932 2500 atoms in group subset_H(H2O) group subset_H(H2O) id 3934 3935 3937 3938 3940 3941 3943 3944 3946 3947 2510 atoms in group subset_H(H2O) group subset_H(H2O) id 3949 3950 3952 3953 3955 3956 3958 3959 3961 3962 2520 atoms in group subset_H(H2O) group subset_H(H2O) id 3964 3965 3967 3968 3970 3971 3973 3974 3976 3977 2530 atoms in group subset_H(H2O) group subset_H(H2O) id 3979 3980 3982 3983 3985 3986 3988 3989 3991 3992 2540 atoms in group subset_H(H2O) group subset_H(H2O) id 3994 3995 3997 3998 4000 4001 4003 4004 4006 4007 2550 atoms in group subset_H(H2O) group subset_H(H2O) id 4009 4010 4012 4013 4015 4016 4018 4019 4021 4022 2560 atoms in group subset_H(H2O) group subset_H(H2O) id 4024 4025 4027 4028 4030 4031 4033 4034 4036 4037 2570 atoms in group subset_H(H2O) group subset_H(H2O) id 4039 4040 4042 4043 4045 4046 4048 4049 4051 4052 2580 atoms in group subset_H(H2O) group subset_H(H2O) id 4054 4055 4057 4058 4060 4061 4063 4064 4066 4067 2590 atoms in group subset_H(H2O) group subset_H(H2O) id 4069 4070 4072 4073 4075 4076 4078 4079 4081 4082 2600 atoms in group subset_H(H2O) group subset_H(H2O) id 4084 4085 4087 4088 4090 4091 4093 4094 4096 4097 2610 atoms in group subset_H(H2O) group subset_H(H2O) id 4099 4100 4102 4103 4105 4106 4108 4109 4111 4112 2620 atoms in group subset_H(H2O) group subset_H(H2O) id 4114 4115 4117 4118 4120 4121 4123 4124 4126 4127 2630 atoms in group subset_H(H2O) group subset_H(H2O) id 4129 4130 4132 4133 4135 4136 4138 4139 4141 4142 2640 atoms in group subset_H(H2O) group subset_H(H2O) id 4144 4145 4147 4148 4150 4151 4153 4154 4156 4157 2650 atoms in group subset_H(H2O) group subset_H(H2O) id 4159 4160 4162 4163 4165 4166 4168 4169 4171 4172 2660 atoms in group subset_H(H2O) group subset_H(H2O) id 4174 4175 4177 4178 4180 4181 4183 4184 4186 4187 2670 atoms in group subset_H(H2O) group subset_H(H2O) id 4189 4190 4192 4193 4195 4196 4198 4199 4201 4202 2680 atoms in group subset_H(H2O) group subset_H(H2O) id 4204 4205 4207 4208 4210 4211 4213 4214 4216 4217 2690 atoms in group subset_H(H2O) group subset_H(H2O) id 4219 4220 4222 4223 4225 4226 4228 4229 4231 4232 2700 atoms in group subset_H(H2O) group subset_H(H2O) id 4234 4235 4237 4238 4240 4241 4243 4244 4246 4247 2710 atoms in group subset_H(H2O) group subset_H(H2O) id 4249 4250 4252 4253 4255 4256 4258 4259 4261 4262 2720 atoms in group subset_H(H2O) group subset_H(H2O) id 4264 4265 4267 4268 4270 4271 4273 4274 4276 4277 2730 atoms in group subset_H(H2O) group subset_H(H2O) id 4279 4280 4282 4283 4285 4286 4288 4289 4291 4292 2740 atoms in group subset_H(H2O) group subset_H(H2O) id 4294 4295 4297 4298 4300 4301 4303 4304 4306 4307 2750 atoms in group subset_H(H2O) group subset_H(H2O) id 4309 4310 4312 4313 4315 4316 4318 4319 4321 4322 2760 atoms in group subset_H(H2O) group subset_H(H2O) id 4324 4325 4327 4328 4330 4331 4333 4334 4336 4337 2770 atoms in group subset_H(H2O) group subset_H(H2O) id 4339 4340 4342 4343 4345 4346 4348 4349 4351 4352 2780 atoms in group subset_H(H2O) group subset_H(H2O) id 4354 4355 4357 4358 4360 4361 4363 4364 4366 4367 2790 atoms in group subset_H(H2O) group subset_H(H2O) id 4369 4370 4372 4373 4375 4376 4378 4379 4381 4382 2800 atoms in group subset_H(H2O) group subset_H(H2O) id 4384 4385 4387 4388 4390 4391 4393 4394 4396 4397 2810 atoms in group subset_H(H2O) group subset_H(H2O) id 4399 4400 4402 4403 4405 4406 4408 4409 4411 4412 2820 atoms in group subset_H(H2O) group subset_H(H2O) id 4414 4415 4417 4418 4420 4421 4423 4424 4426 4427 2830 atoms in group subset_H(H2O) group subset_H(H2O) id 4429 4430 4432 4433 4435 4436 4438 4439 4441 4442 2840 atoms in group subset_H(H2O) group subset_H(H2O) id 4444 4445 4447 4448 4450 4451 4453 4454 4456 4457 2850 atoms in group subset_H(H2O) group subset_H(H2O) id 4459 4460 4462 4463 4465 4466 4468 4469 4471 4472 2860 atoms in group subset_H(H2O) group subset_H(H2O) id 4474 4475 4477 4478 4480 4481 4483 4484 4486 4487 2870 atoms in group subset_H(H2O) group subset_H(H2O) id 4489 4490 4492 4493 4495 4496 4498 4499 4501 4502 2880 atoms in group subset_H(H2O) group subset_H(H2O) id 4504 4505 4507 4508 4510 4511 4513 4514 4516 4517 2890 atoms in group subset_H(H2O) group subset_H(H2O) id 4519 4520 4522 4523 4525 4526 4528 4529 4531 4532 2900 atoms in group subset_H(H2O) group subset_H(H2O) id 4534 4535 4537 4538 4540 4541 4543 4544 4546 4547 2910 atoms in group subset_H(H2O) group subset_H(H2O) id 4549 4550 4552 4553 4555 4556 4558 4559 4561 4562 2920 atoms in group subset_H(H2O) group subset_H(H2O) id 4564 4565 4567 4568 4570 4571 4573 4574 4576 4577 2930 atoms in group subset_H(H2O) group subset_H(H2O) id 4579 4580 4582 4583 4585 4586 4588 4589 4591 4592 2940 atoms in group subset_H(H2O) group subset_H(H2O) id 4594 4595 4597 4598 4600 4601 4603 4604 4606 4607 2950 atoms in group subset_H(H2O) group subset_H(H2O) id 4609 4610 4612 4613 4615 4616 4618 4619 4621 4622 2960 atoms in group subset_H(H2O) group subset_H(H2O) id 4624 4625 4627 4628 4630 4631 4633 4634 4636 4637 2970 atoms in group subset_H(H2O) group subset_H(H2O) id 4639 4640 4642 4643 4645 4646 4648 4649 4651 4652 2980 atoms in group subset_H(H2O) group subset_H(H2O) id 4654 4655 4657 4658 4660 4661 4663 4664 4666 4667 2990 atoms in group subset_H(H2O) group subset_H(H2O) id 4669 4670 4672 4673 4675 4676 4678 4679 4681 4682 3000 atoms in group subset_H(H2O) group subset_H(H2O) id 4684 4685 4687 4688 4690 4691 4693 4694 4696 4697 3010 atoms in group subset_H(H2O) group subset_H(H2O) id 4699 4700 4702 4703 4705 4706 4708 4709 4711 4712 3020 atoms in group subset_H(H2O) group subset_H(H2O) id 4714 4715 4717 4718 4720 4721 4723 4724 4726 4727 3030 atoms in group subset_H(H2O) group subset_H(H2O) id 4729 4730 4732 4733 4735 4736 4738 4739 4741 4742 3040 atoms in group subset_H(H2O) group subset_H(H2O) id 4744 4745 4747 4748 4750 4751 4753 4754 4756 4757 3050 atoms in group subset_H(H2O) group subset_H(H2O) id 4759 4760 4762 4763 4765 4766 4768 4769 4771 4772 3060 atoms in group subset_H(H2O) group subset_H(H2O) id 4774 4775 4777 4778 4780 4781 4783 4784 4786 4787 3070 atoms in group subset_H(H2O) group subset_H(H2O) id 4789 4790 4792 4793 4795 4796 4798 4799 4801 4802 3080 atoms in group subset_H(H2O) group subset_H(H2O) id 4804 4805 4807 4808 4810 4811 4813 4814 4816 4817 3090 atoms in group subset_H(H2O) group subset_H(H2O) id 4819 4820 4822 4823 4825 4826 4828 4829 4831 4832 3100 atoms in group subset_H(H2O) group subset_H(H2O) id 4834 4835 4837 4838 4840 4841 4843 4844 4846 4847 3110 atoms in group subset_H(H2O) group subset_H(H2O) id 4849 4850 4852 4853 4855 4856 4858 4859 4861 4862 3120 atoms in group subset_H(H2O) group subset_H(H2O) id 4864 4865 4867 4868 4870 4871 4873 4874 4876 4877 3130 atoms in group subset_H(H2O) group subset_H(H2O) id 4879 4880 4882 4883 4885 4886 4888 4889 4891 4892 3140 atoms in group subset_H(H2O) group subset_H(H2O) id 4894 4895 4897 4898 4900 4901 4903 4904 4906 4907 3150 atoms in group subset_H(H2O) group subset_H(H2O) id 4909 4910 4912 4913 4915 4916 4918 4919 4921 4922 3160 atoms in group subset_H(H2O) group subset_H(H2O) id 4924 4925 4927 4928 4930 4931 4933 4934 4936 4937 3170 atoms in group subset_H(H2O) group subset_H(H2O) id 4939 4940 4942 4943 4945 4946 4948 4949 4951 4952 3180 atoms in group subset_H(H2O) group subset_H(H2O) id 4954 4955 4957 4958 4960 4961 4963 4964 4966 4967 3190 atoms in group subset_H(H2O) group subset_H(H2O) id 4969 4970 4972 4973 4975 4976 4978 4979 4981 4982 3200 atoms in group subset_H(H2O) group subset_H(H2O) id 4984 4985 4987 4988 4990 4991 4993 4994 4996 4997 3210 atoms in group subset_H(H2O) group subset_H(H2O) id 4999 5000 5002 5003 5005 5006 5008 5009 5011 5012 3220 atoms in group subset_H(H2O) group subset_H(H2O) id 5014 5015 5017 5018 5020 5021 5023 5024 5026 5027 3230 atoms in group subset_H(H2O) group subset_H(H2O) id 5029 5030 5032 5033 5035 5036 5038 5039 5041 5042 3240 atoms in group subset_H(H2O) group subset_H(H2O) id 5044 5045 5047 5048 5050 5051 5053 5054 5056 5057 3250 atoms in group subset_H(H2O) group subset_H(H2O) id 5059 5060 5062 5063 5065 5066 5068 5069 5071 5072 3260 atoms in group subset_H(H2O) group subset_H(H2O) id 5074 5075 5077 5078 5080 5081 5083 5084 5086 5087 3270 atoms in group subset_H(H2O) group subset_H(H2O) id 5089 5090 5092 5093 5095 5096 5098 5099 5101 5102 3280 atoms in group subset_H(H2O) group subset_H(H2O) id 5104 5105 5107 5108 5110 5111 5113 5114 5116 5117 3290 atoms in group subset_H(H2O) group subset_H(H2O) id 5119 5120 5122 5123 5125 5126 5128 5129 5131 5132 3300 atoms in group subset_H(H2O) group subset_H(H2O) id 5134 5135 5137 5138 5140 5141 5143 5144 5146 5147 3310 atoms in group subset_H(H2O) group subset_H(H2O) id 5149 5150 5152 5153 5155 5156 5158 5159 5161 5162 3320 atoms in group subset_H(H2O) group subset_H(H2O) id 5164 5165 5167 5168 5170 5171 5173 5174 5176 5177 3330 atoms in group subset_H(H2O) group subset_H(H2O) id 5179 5180 5182 5183 5185 5186 5188 5189 5191 5192 3340 atoms in group subset_H(H2O) group subset_H(H2O) id 5194 5195 5197 5198 5200 5201 5203 5204 5206 5207 3350 atoms in group subset_H(H2O) group subset_H(H2O) id 5209 5210 5212 5213 5215 5216 5218 5219 5221 5222 3360 atoms in group subset_H(H2O) group subset_H(H2O) id 5224 5225 5227 5228 5230 5231 5233 5234 5236 5237 3370 atoms in group subset_H(H2O) group subset_H(H2O) id 5239 5240 5242 5243 5245 5246 5248 5249 5251 5252 3380 atoms in group subset_H(H2O) group subset_H(H2O) id 5254 5255 5257 5258 5260 5261 5263 5264 5266 5267 3390 atoms in group subset_H(H2O) group subset_H(H2O) id 5269 5270 5272 5273 5275 5276 5278 5279 5281 5282 3400 atoms in group subset_H(H2O) group subset_H(H2O) id 5284 5285 5287 5288 5290 5291 5293 5294 5296 5297 3410 atoms in group subset_H(H2O) group subset_H(H2O) id 5299 5300 5302 5303 5305 5306 5308 5309 5311 5312 3420 atoms in group subset_H(H2O) group subset_H(H2O) id 5314 5315 5317 5318 5320 5321 5323 5324 5326 5327 3430 atoms in group subset_H(H2O) group subset_H(H2O) id 5329 5330 5332 5333 5335 5336 5338 5339 5341 5342 3440 atoms in group subset_H(H2O) group subset_H(H2O) id 5344 5345 5347 5348 5350 5351 5353 5354 5356 5357 3450 atoms in group subset_H(H2O) group subset_H(H2O) id 5359 5360 5362 5363 5365 5366 5368 5369 5371 5372 3460 atoms in group subset_H(H2O) group subset_H(H2O) id 5374 5375 5377 5378 5380 5381 5383 5384 5386 5387 3470 atoms in group subset_H(H2O) group subset_H(H2O) id 5389 5390 5392 5393 5395 5396 5398 5399 5401 5402 3480 atoms in group subset_H(H2O) group subset_H(H2O) id 5404 5405 5407 5408 5410 5411 5413 5414 5416 5417 3490 atoms in group subset_H(H2O) group subset_H(H2O) id 5419 5420 5422 5423 5425 5426 5428 5429 5431 5432 3500 atoms in group subset_H(H2O) group subset_H(H2O) id 5434 5435 5437 5438 5440 5441 5443 5444 5446 5447 3510 atoms in group subset_H(H2O) group subset_H(H2O) id 5449 5450 5452 5453 5455 5456 5458 5459 5461 5462 3520 atoms in group subset_H(H2O) group subset_H(H2O) id 5464 5465 5467 5468 5470 5471 5473 5474 5476 5477 3530 atoms in group subset_H(H2O) group subset_H(H2O) id 5479 5480 5482 5483 5485 5486 5488 5489 5491 5492 3540 atoms in group subset_H(H2O) group subset_H(H2O) id 5494 5495 5497 5498 5500 5501 5503 5504 5506 5507 3550 atoms in group subset_H(H2O) group subset_H(H2O) id 5509 5510 5512 5513 5515 5516 5518 5519 5521 5522 3560 atoms in group subset_H(H2O) group subset_H(H2O) id 5524 5525 5527 5528 5530 5531 5533 5534 5536 5537 3570 atoms in group subset_H(H2O) group subset_H(H2O) id 5539 5540 5542 5543 5545 5546 5548 5549 5551 5552 3580 atoms in group subset_H(H2O) group subset_H(H2O) id 5554 5555 5557 5558 5560 5561 5563 5564 5566 5567 3590 atoms in group subset_H(H2O) group subset_H(H2O) id 5569 5570 5572 5573 5575 5576 5578 5579 5581 5582 3600 atoms in group subset_H(H2O) group subset_H(H2O) id 5584 5585 5587 5588 5590 5591 5593 5594 5596 5597 3610 atoms in group subset_H(H2O) group subset_H(H2O) id 5599 5600 5602 5603 5605 5606 5608 5609 5611 5612 3620 atoms in group subset_H(H2O) group subset_H(H2O) id 5614 5615 5617 5618 5620 5621 5623 5624 5626 5627 3630 atoms in group subset_H(H2O) group subset_H(H2O) id 5629 5630 5632 5633 5635 5636 5638 5639 5641 5642 3640 atoms in group subset_H(H2O) group subset_H(H2O) id 5644 5645 5647 5648 5650 5651 5653 5654 5656 5657 3650 atoms in group subset_H(H2O) group subset_H(H2O) id 5659 5660 5662 5663 5665 5666 5668 5669 5671 5672 3660 atoms in group subset_H(H2O) group subset_H(H2O) id 5674 5675 5677 5678 5680 5681 5683 5684 5686 5687 3670 atoms in group subset_H(H2O) group subset_H(H2O) id 5689 5690 5692 5693 5695 5696 5698 5699 5701 5702 3680 atoms in group subset_H(H2O) group subset_H(H2O) id 5704 5705 5707 5708 5710 5711 5713 5714 5716 5717 3690 atoms in group subset_H(H2O) group subset_H(H2O) id 5719 5720 5722 5723 5725 5726 5728 5729 5731 5732 3700 atoms in group subset_H(H2O) group subset_H(H2O) id 5734 5735 5737 5738 5740 5741 5743 5744 5746 5747 3710 atoms in group subset_H(H2O) group subset_H(H2O) id 5749 5750 5752 5753 5755 5756 5758 5759 5761 5762 3720 atoms in group subset_H(H2O) group subset_H(H2O) id 5764 5765 5767 5768 5770 5771 5773 5774 5776 5777 3730 atoms in group subset_H(H2O) group subset_H(H2O) id 5779 5780 5782 5783 5785 5786 5788 5789 5791 5792 3740 atoms in group subset_H(H2O) group subset_H(H2O) id 5794 5795 5797 5798 5800 5801 5803 5804 5806 5807 3750 atoms in group subset_H(H2O) group subset_H(H2O) id 5809 5810 5812 5813 5815 5816 5818 5819 5821 5822 3760 atoms in group subset_H(H2O) group subset_H(H2O) id 5824 5825 5827 5828 5830 5831 5833 5834 5836 5837 3770 atoms in group subset_H(H2O) group subset_H(H2O) id 5839 5840 5842 5843 5845 5846 5848 5849 5851 5852 3780 atoms in group subset_H(H2O) group subset_H(H2O) id 5854 5855 5857 5858 5860 5861 5863 5864 5866 5867 3790 atoms in group subset_H(H2O) group subset_H(H2O) id 5869 5870 5872 5873 5875 5876 5878 5879 5881 5882 3800 atoms in group subset_H(H2O) group subset_H(H2O) id 5884 5885 5887 5888 5890 5891 5893 5894 5896 5897 3810 atoms in group subset_H(H2O) group subset_H(H2O) id 5899 5900 5902 5903 5905 5906 5908 5909 5911 5912 3820 atoms in group subset_H(H2O) group subset_H(H2O) id 5914 5915 5917 5918 5920 5921 5923 5924 5926 5927 3830 atoms in group subset_H(H2O) group subset_H(H2O) id 5929 5930 5932 5933 5935 5936 5938 5939 5941 5942 3840 atoms in group subset_H(H2O) group subset_H(H2O) id 5944 5945 5947 5948 5950 5951 5953 5954 5956 5957 3850 atoms in group subset_H(H2O) group subset_H(H2O) id 5959 5960 5962 5963 5965 5966 5968 5969 5971 5972 3860 atoms in group subset_H(H2O) group subset_H(H2O) id 5974 5975 5977 5978 5980 5981 5983 5984 5986 5987 3870 atoms in group subset_H(H2O) group subset_H(H2O) id 5989 5990 5992 5993 5995 5996 5998 5999 6001 6002 3880 atoms in group subset_H(H2O) group subset_H(H2O) id 6004 6005 6007 6008 6010 6011 6013 6014 6016 6017 3890 atoms in group subset_H(H2O) group subset_H(H2O) id 6019 6020 6022 6023 6025 6026 6028 6029 3898 atoms in group subset_H(H2O) log 2.2_Minimization.out