LAMMPS (7 Jan 2022) using 1 OpenMP thread(s) per MPI task log 2.1_Initialize.out #------------------------------------------------------------------------------- # 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 (38.66684 38.6954 109.8) 2 by 2 by 8 MPI processor grid reading atoms ... 14171 atoms scanning bonds ... 1 = max bonds/atom scanning angles ... 6 = max angles/atom scanning impropers ... 4 = max impropers/atom reading bonds ... 7530 bonds reading angles ... 4413 angles reading impropers ... 1160 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 1 special bond factors coul: 0 0 1 4 = max # of 1-2 neighbors 3 = max # of 1-3 neighbors 4 = max # of special neighbors special bonds CPU = 0.001 seconds read_data CPU = 0.066 seconds include parameters.dat bond_coeff 1 1.5325 277.56 -433.25 2922.8 # o1S- s4o- bond_coeff 2 0.97 563.28 -1428.2 1902.1 # h* o* angle_coeff 1 109.47 87.637 -98.528 174.89 # o1S- s4o- o1S- angle_coeff 2 103.7 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 # * s_ * * angle_coeff 1 bb 130.45 1.5325 1.5325 # o1S- s4o- o1S- angle_coeff 2 bb -9.5 0.97 0.97 # h* o* h* angle_coeff 1 ba 0.0 0.0 1.5325 1.5325 # o1S- s4o- o1S- angle_coeff 2 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 # * s_ * * pair_coeff 1 1 0.05899 5.1728 # Cl - pair_coeff 2 2 0 1.098 # hw - pair_coeff 3 3 0.4691 3.292 # K+ - pair_coeff 4 4 0.3727 1.635 # Li+ - pair_coeff 5 5 0.2951 2.3959 # mg+ - pair_coeff 6 6 0.3828 2.494 # Na+ - pair_coeff 7 7 0.148 3.7824 # o* - pair_coeff 8 8 0.1436 3.6173 # o1S- - pair_coeff 9 9 0.24 4.08 # s4o- - 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 fixed id 3 4 11 12 19 20 21 22 25 26 10 atoms in group fixed group fixed id 31 32 35 36 43 44 51 52 53 54 20 atoms in group fixed group fixed id 57 58 63 64 67 68 75 76 83 84 30 atoms in group fixed group fixed id 85 86 89 90 95 96 99 100 107 108 40 atoms in group fixed group fixed id 115 116 117 118 121 122 127 128 131 132 50 atoms in group fixed group fixed id 139 140 147 148 149 150 153 154 159 160 60 atoms in group fixed group fixed id 163 164 171 172 179 180 181 182 185 186 70 atoms in group fixed group fixed id 191 192 195 196 203 204 211 212 213 214 80 atoms in group fixed group fixed id 217 218 223 224 227 228 235 236 243 244 90 atoms in group fixed group fixed id 245 246 249 250 255 256 260 262 267 268 100 atoms in group fixed group fixed id 269 270 275 276 277 278 281 282 287 288 110 atoms in group fixed group fixed id 292 294 299 300 301 302 307 308 309 310 120 atoms in group fixed group fixed id 313 314 319 320 324 326 331 332 333 334 130 atoms in group fixed group fixed id 339 340 341 342 345 346 351 352 356 358 140 atoms in group fixed group fixed id 363 364 365 366 371 372 373 374 377 378 150 atoms in group fixed group fixed id 383 384 388 390 395 396 397 398 403 404 160 atoms in group fixed group fixed id 405 406 409 410 415 416 420 422 427 428 170 atoms in group fixed group fixed id 429 430 435 436 437 438 441 442 447 448 180 atoms in group fixed group fixed id 452 454 459 460 461 462 467 468 469 470 190 atoms in group fixed group fixed id 473 474 479 480 484 486 491 492 493 494 200 atoms in group fixed group fixed id 499 500 501 502 505 506 511 512 523 524 210 atoms in group fixed group fixed id 525 526 527 528 529 530 531 532 533 534 220 atoms in group fixed group fixed id 535 536 537 538 539 540 541 542 553 554 230 atoms in group fixed group fixed id 555 556 557 558 559 560 561 562 583 584 240 atoms in group fixed group fixed id 585 586 587 588 589 590 591 592 603 604 250 atoms in group fixed group fixed id 605 606 607 608 609 610 611 612 613 614 260 atoms in group fixed group fixed id 615 616 617 618 619 620 621 622 633 634 270 atoms in group fixed group fixed id 635 636 637 638 639 640 641 642 663 664 280 atoms in group fixed group fixed id 665 666 667 668 669 670 671 672 678 679 290 atoms in group fixed group fixed id 680 681 682 683 684 685 686 687 688 689 300 atoms in group fixed group fixed id 690 691 692 693 694 695 696 697 708 709 310 atoms in group fixed group fixed id 710 711 712 713 714 715 716 717 733 734 320 atoms in group fixed group fixed id 735 736 737 738 739 740 741 742 763 764 330 atoms in group fixed group fixed id 765 766 767 768 769 770 771 772 773 774 340 atoms in group fixed group fixed id 775 776 777 778 779 780 781 782 793 794 350 atoms in group fixed group fixed id 795 796 797 798 799 800 801 802 823 824 360 atoms in group fixed group fixed id 825 826 827 828 829 830 831 832 843 844 370 atoms in group fixed group fixed id 845 846 847 848 849 850 851 852 853 854 380 atoms in group fixed group fixed id 855 856 857 858 859 860 861 862 873 874 390 atoms in group fixed group fixed id 875 876 877 878 879 880 881 882 903 904 400 atoms in group fixed group fixed id 905 906 907 908 909 910 911 912 918 919 410 atoms in group fixed group fixed id 920 921 922 923 924 925 926 927 928 929 420 atoms in group fixed group fixed id 930 931 932 933 934 935 936 937 948 949 430 atoms in group fixed group fixed id 950 951 952 953 954 955 956 957 973 974 440 atoms in group fixed group fixed id 975 976 977 978 979 980 981 982 1003 1004 450 atoms in group fixed group fixed id 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 460 atoms in group fixed group fixed id 1015 1016 1017 1018 1019 1020 1021 1022 1033 1034 470 atoms in group fixed group fixed id 1035 1036 1037 1038 1039 1040 1041 1042 1063 1064 480 atoms in group fixed group fixed id 1065 1066 1067 1068 1069 1070 1071 1072 1083 1084 490 atoms in group fixed group fixed id 1085 1086 1087 1088 1089 1090 1091 1092 1098 1099 500 atoms in group fixed group fixed id 1100 1101 1102 1118 1119 1120 1121 1122 1123 1124 510 atoms in group fixed group fixed id 1125 1126 1127 1128 1129 1130 1131 1132 1138 1139 520 atoms in group fixed group fixed id 1140 1141 1142 1148 1149 1150 1151 1152 1163 1164 530 atoms in group fixed group fixed id 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 540 atoms in group fixed group fixed id 1175 1176 1177 1178 1179 1180 1181 1182 1193 1194 550 atoms in group fixed group fixed id 1195 1196 1197 1198 1199 1200 1201 1202 1223 1224 560 atoms in group fixed group fixed id 1225 1226 1227 1228 1229 1230 1231 1232 1243 1244 570 atoms in group fixed group fixed id 1245 1246 1247 1248 1249 1250 1251 1252 1258 1259 580 atoms in group fixed group fixed id 1260 1261 1262 1278 1279 1280 1281 1282 1283 1284 590 atoms in group fixed group fixed id 1285 1286 1287 1288 1289 1290 1291 1292 1298 1299 600 atoms in group fixed group fixed id 1300 1301 1302 1308 1309 1310 1311 1312 1323 1324 610 atoms in group fixed group fixed id 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 620 atoms in group fixed group fixed id 1335 1336 1337 1338 1339 1340 1341 1342 1353 1354 630 atoms in group fixed group fixed id 1355 1356 1357 1358 1359 1360 1361 1362 1383 1384 640 atoms in group fixed group fixed id 1385 1386 1387 1388 1389 1390 1391 1392 1403 1404 650 atoms in group fixed group fixed id 1405 1406 1407 1408 1409 1410 1411 1412 1418 1419 660 atoms in group fixed group fixed id 1420 1421 1422 1438 1439 1440 1441 1442 1443 1444 670 atoms in group fixed group fixed id 1445 1446 1447 1448 1449 1450 1451 1452 1458 1459 680 atoms in group fixed group fixed id 1460 1461 1462 1468 1469 1470 1471 1472 1483 1484 690 atoms in group fixed group fixed id 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 700 atoms in group fixed group fixed id 1495 1496 1497 1498 1499 1500 1501 1502 1513 1514 710 atoms in group fixed group fixed id 1515 1516 1517 1518 1519 1520 1521 1522 1543 1544 720 atoms in group fixed group fixed id 1545 1546 1547 1548 1549 1550 1551 1552 1563 1564 730 atoms in group fixed group fixed id 1565 1566 1567 1568 1569 1570 1571 1572 1578 1579 740 atoms in group fixed group fixed id 1580 1581 1582 1598 1599 1600 1601 1602 1603 1604 750 atoms in group fixed group fixed id 1605 1606 1607 1608 1609 1610 1611 1612 1618 1619 760 atoms in group fixed group fixed id 1620 1621 1622 1628 1629 1630 1631 1632 1643 1644 770 atoms in group fixed group fixed id 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 780 atoms in group fixed group fixed id 1655 1656 1657 1658 1659 1660 1661 1662 1673 1674 790 atoms in group fixed group fixed id 1675 1676 1677 1678 1679 1680 1681 1682 1703 1704 800 atoms in group fixed group fixed id 1705 1706 1707 1708 1709 1710 1711 1712 1723 1724 810 atoms in group fixed group fixed id 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 820 atoms in group fixed group fixed id 1735 1736 1737 1738 1739 1740 1741 1742 1753 1754 830 atoms in group fixed group fixed id 1755 1756 1757 1758 1759 1760 1761 1762 1783 1784 840 atoms in group fixed group fixed id 1785 1786 1787 1788 1789 1790 1791 1792 1795 1796 850 atoms in group fixed group fixed id 1803 1804 1811 1812 1813 1814 1817 1818 1823 1824 860 atoms in group fixed group fixed id 1827 1828 1835 1836 1843 1844 1845 1846 1849 1850 870 atoms in group fixed group fixed id 1855 1856 1859 1860 1867 1868 1875 1876 1877 1878 880 atoms in group fixed group fixed id 1881 1882 1887 1888 1891 1892 1899 1900 1907 1908 890 atoms in group fixed group fixed id 1909 1910 1913 1914 1919 1920 1923 1924 1931 1932 900 atoms in group fixed group fixed id 1939 1940 1941 1942 1945 1946 1951 1952 1955 1956 910 atoms in group fixed group fixed id 1963 1964 1971 1972 1973 1974 1977 1978 1983 1984 920 atoms in group fixed group fixed id 1987 1988 1995 1996 2003 2004 2005 2006 2009 2010 930 atoms in group fixed group fixed id 2015 2016 2019 2020 2027 2028 2035 2036 2037 2038 940 atoms in group fixed group fixed id 2041 2042 2047 2048 2055 2056 2057 2058 2059 2060 950 atoms in group fixed group fixed id 2079 2080 2081 2082 2083 2084 2103 2104 2105 2106 960 atoms in group fixed group fixed id 2107 2108 2109 2110 2111 2112 2113 2114 2121 2122 970 atoms in group fixed group fixed id 2123 2124 2125 2126 2139 2140 2141 2142 2143 2144 980 atoms in group fixed group fixed id 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 990 atoms in group fixed group fixed id 2161 2162 2169 2170 2171 2172 2173 2174 2187 2188 1000 atoms in group fixed group fixed id 2189 2190 2191 2192 2199 2200 2201 2202 2203 2204 1010 atoms in group fixed group fixed id 2205 2206 2207 2208 2209 2210 2217 2218 2219 2220 1020 atoms in group fixed group fixed id 2221 2222 2235 2236 2237 2238 2239 2240 2247 2248 1030 atoms in group fixed group fixed id 2249 2250 2251 2252 2253 2254 2255 2256 2257 2258 1040 atoms in group fixed group fixed id 2265 2266 2267 2268 2269 2270 2283 2284 2285 2286 1050 atoms in group fixed group fixed id 2287 2288 2295 2296 2297 2298 2299 2300 2307 2308 1060 atoms in group fixed group fixed id 2309 2328 2329 2330 2331 2332 2333 2334 2335 2336 1070 atoms in group fixed group fixed id 2337 2338 2339 2346 2347 2348 2349 2350 2351 2370 1080 atoms in group fixed group fixed id 2371 2372 2373 2374 2375 2385 2386 2387 2388 2389 1090 atoms in group fixed group fixed id 2390 2391 2392 2393 2394 2395 2396 2403 2404 2405 1100 atoms in group fixed group fixed id 2406 2407 2408 2421 2422 2423 2424 2425 2426 2433 1110 atoms in group fixed group fixed id 2434 2435 2439 2440 2441 2442 2443 2444 2451 2452 1120 atoms in group fixed group fixed id 2453 2454 2455 2456 2469 2470 2471 2472 2473 2474 1130 atoms in group fixed group fixed id 2481 2482 2483 2484 2485 2486 2499 2500 2501 2502 1140 atoms in group fixed group fixed id 2503 2504 2511 2512 2513 2514 2515 2516 2517 2518 1150 atoms in group fixed group fixed id 2519 2520 2521 2522 2529 2530 2531 2532 2533 2534 1160 atoms in group fixed group fixed id 2547 2548 2549 2550 2551 2552 2559 2560 2561 2562 1170 atoms in group fixed group fixed id 2563 2564 2574 2575 2576 2583 2584 2585 2586 2587 1180 atoms in group fixed group fixed id 2588 2607 2608 2609 2610 2611 2612 2631 2632 2633 1190 atoms in group fixed group fixed id 2634 2635 2636 2637 2638 2639 2640 2641 2642 2649 1200 atoms in group fixed group fixed id 2650 2651 2652 2653 2654 2667 2668 2669 2670 2671 1210 atoms in group fixed group fixed id 2672 2679 2680 2681 2682 2683 2684 2685 2686 2687 1220 atoms in group fixed group fixed id 2688 2689 2690 2697 2698 2699 2700 2701 2702 2715 1230 atoms in group fixed group fixed id 2716 2717 2718 2719 2720 2727 2728 2729 2730 2731 1240 atoms in group fixed group fixed id 2732 2733 2734 2735 2736 2737 2738 2745 2746 2747 1250 atoms in group fixed group fixed id 2748 2749 2750 2763 2764 2765 2766 2767 2768 2775 1260 atoms in group fixed group fixed id 2776 2777 2778 2779 2780 2781 2782 2783 2784 2785 1270 atoms in group fixed group fixed id 2786 2793 2794 2795 2796 2797 2798 2811 2812 2813 1280 atoms in group fixed group fixed id 2814 2815 2816 2823 2824 2825 2826 2827 2828 2835 1290 atoms in group fixed group fixed id 2836 2837 2856 2857 2858 2859 2860 2861 2862 2863 1300 atoms in group fixed group fixed id 2864 2865 2866 2867 2874 2875 2876 2877 2878 2879 1310 atoms in group fixed group fixed id 2898 2899 2900 2901 2902 2903 2913 2914 2915 2916 1320 atoms in group fixed group fixed id 2917 2918 2919 2920 2921 2922 2923 2924 2931 2932 1330 atoms in group fixed group fixed id 2933 2934 2935 2936 2949 2950 2951 2952 2953 2954 1340 atoms in group fixed group fixed id 2961 2962 2963 2967 2968 2969 2970 2971 2972 2979 1350 atoms in group fixed group fixed id 2980 2981 2982 2983 2984 2997 2998 2999 3000 3001 1360 atoms in group fixed group fixed id 3002 3009 3010 3011 3012 3013 3014 3027 3028 3029 1370 atoms in group fixed group fixed id 3030 3031 3032 3039 3040 3041 3042 3043 3044 3045 1380 atoms in group fixed group fixed id 3046 3047 3048 3049 3050 3057 3058 3059 3060 3061 1390 atoms in group fixed group fixed id 3062 3075 3076 3077 3078 3079 3080 3087 3088 3089 1400 atoms in group fixed group fixed id 3090 3091 3092 3102 3103 3104 3111 3112 3113 3114 1410 atoms in group fixed group fixed id 3115 3116 3135 3136 3137 3138 3139 3140 3159 3160 1420 atoms in group fixed group fixed id 3161 3162 3163 3164 3165 3166 3167 3168 3169 3170 1430 atoms in group fixed group fixed id 3177 3178 3179 3180 3181 3182 3195 3196 3197 3198 1440 atoms in group fixed group fixed id 3199 3200 3207 3208 3209 3210 3211 3212 3213 3214 1450 atoms in group fixed group fixed id 3215 3216 3217 3218 3225 3226 3227 3228 3229 3230 1460 atoms in group fixed group fixed id 3243 3244 3245 3246 3247 3248 3255 3256 3257 3258 1470 atoms in group fixed group fixed id 3259 3260 3261 3262 3263 3264 3265 3266 3273 3274 1480 atoms in group fixed group fixed id 3275 3276 3277 3278 3291 3292 3293 3294 3295 3296 1490 atoms in group fixed group fixed id 3303 3304 3305 3306 3307 3308 3309 3310 3311 3312 1500 atoms in group fixed group fixed id 3313 3314 3321 3322 3323 3324 3325 3326 3339 3340 1510 atoms in group fixed group fixed id 3341 3342 3343 3344 3351 3352 3353 3354 3355 3356 1520 atoms in group fixed group fixed id 3363 3364 3365 3384 3385 3386 3387 3388 3389 3390 1530 atoms in group fixed group fixed id 3391 3392 3393 3394 3395 3402 3403 3404 3405 3406 1540 atoms in group fixed group fixed id 3407 3426 3427 3428 3429 3430 3431 3441 3442 3443 1550 atoms in group fixed group fixed id 3444 3445 3446 3447 3448 3449 3450 3451 3452 3459 1560 atoms in group fixed group fixed id 3460 3461 3462 3463 3464 3477 3478 3479 3480 3481 1570 atoms in group fixed group fixed id 3482 3489 3490 3491 3495 3496 3497 3498 3499 3500 1580 atoms in group fixed group fixed id 3507 3508 3509 3510 3511 3512 3525 3526 3527 3528 1590 atoms in group fixed group fixed id 3529 3530 3537 3538 3539 3540 3541 3542 3555 3556 1600 atoms in group fixed group fixed id 3557 3558 3559 3560 3567 3568 3569 3570 3571 3572 1610 atoms in group fixed group fixed id 3573 3574 3575 3576 3577 3578 3585 3586 3587 3588 1620 atoms in group fixed group fixed id 3589 3590 3603 3604 3605 3606 3607 3608 3615 3616 1630 atoms in group fixed group fixed id 3617 3618 3619 3620 3630 3631 3632 3639 3640 3641 1640 atoms in group fixed group fixed id 3642 3643 3644 3663 3664 3665 3666 3667 3668 3687 1650 atoms in group fixed group fixed id 3688 3689 3690 3691 3692 3693 3694 3695 3696 3697 1660 atoms in group fixed group fixed id 3698 3705 3706 3707 3708 3709 3710 3723 3724 3725 1670 atoms in group fixed group fixed id 3726 3727 3728 3735 3736 3737 3738 3739 3740 3741 1680 atoms in group fixed group fixed id 3742 3743 3744 3745 3746 3753 3754 3755 3756 3757 1690 atoms in group fixed group fixed id 3758 3771 3772 3773 3774 3775 3776 3783 3784 3785 1700 atoms in group fixed group fixed id 3786 3787 3788 3789 3790 3791 3792 3793 3794 3801 1710 atoms in group fixed group fixed id 3802 3803 3804 3805 3806 3819 3820 3821 3822 3823 1720 atoms in group fixed group fixed id 3824 3831 3832 3833 3834 3835 3836 3837 3838 3839 1730 atoms in group fixed group fixed id 3840 3841 3842 3849 3850 3851 3852 3853 3854 3867 1740 atoms in group fixed group fixed id 3868 3869 3870 3871 3872 3879 3880 3881 3882 3883 1750 atoms in group fixed group fixed id 3884 3891 3892 3893 3912 3913 3914 3915 3916 3917 1760 atoms in group fixed group fixed id 3918 3919 3920 3921 3922 3923 3930 3931 3932 3933 1770 atoms in group fixed group fixed id 3934 3935 3954 3955 3956 3957 3958 3959 3969 3970 1780 atoms in group fixed group fixed id 3971 3972 3973 3974 3975 3976 3977 3978 3979 3980 1790 atoms in group fixed group fixed id 3987 3988 3989 3990 3991 3992 4005 4006 4007 4008 1800 atoms in group fixed group fixed id 4009 4010 4017 4018 4019 4023 4024 4025 4026 4027 1810 atoms in group fixed group fixed id 4028 4035 4036 4037 4038 4039 4040 4053 4054 4055 1820 atoms in group fixed group fixed id 4056 4057 4058 4065 4066 4067 4068 4069 4070 4083 1830 atoms in group fixed group fixed id 4084 4085 4086 4087 4088 4095 4096 4097 4098 4099 1840 atoms in group fixed group fixed id 4100 4101 4102 4103 4104 4105 4106 4113 4114 4115 1850 atoms in group fixed group fixed id 4116 4117 4118 4131 4132 4133 4134 4135 4136 4143 1860 atoms in group fixed group fixed id 4144 4145 4146 4147 4148 4158 4159 4160 1868 atoms in group fixed group movable subtract all fixed 12303 atoms in group movable 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] uncompute thermo_temp compute thermo_temp movable temp # # Subsets # group subset_Layer2 id 1 2 3 4 5 6 7 8 9 10 10 atoms in group subset_Layer2 group subset_Layer2 id 11 12 13 14 15 16 17 18 19 20 20 atoms in group subset_Layer2 group subset_Layer2 id 21 22 23 24 25 26 27 28 29 30 30 atoms in group subset_Layer2 group subset_Layer2 id 31 32 33 34 35 36 37 38 39 40 40 atoms in group subset_Layer2 group subset_Layer2 id 41 42 43 44 45 46 47 48 49 50 50 atoms in group subset_Layer2 group subset_Layer2 id 51 52 53 54 55 56 57 58 59 60 60 atoms in group subset_Layer2 group subset_Layer2 id 61 62 63 64 65 66 67 68 69 70 70 atoms in group subset_Layer2 group subset_Layer2 id 71 72 73 74 75 76 77 78 79 80 80 atoms in group subset_Layer2 group subset_Layer2 id 81 82 83 84 85 86 87 88 89 90 90 atoms in group subset_Layer2 group subset_Layer2 id 91 92 93 94 95 96 97 98 99 100 100 atoms in group subset_Layer2 group subset_Layer2 id 101 102 103 104 105 106 107 108 109 110 110 atoms in group subset_Layer2 group subset_Layer2 id 111 112 113 114 115 116 117 118 119 120 120 atoms in group subset_Layer2 group subset_Layer2 id 121 122 123 124 125 126 127 128 129 130 130 atoms in group subset_Layer2 group subset_Layer2 id 131 132 133 134 135 136 137 138 139 140 140 atoms in group subset_Layer2 group subset_Layer2 id 141 142 143 144 145 146 147 148 149 150 150 atoms in group subset_Layer2 group subset_Layer2 id 151 152 153 154 155 156 157 158 159 160 160 atoms in group subset_Layer2 group subset_Layer2 id 161 162 163 164 165 166 167 168 169 170 170 atoms in group subset_Layer2 group subset_Layer2 id 171 172 173 174 175 176 177 178 179 180 180 atoms in group subset_Layer2 group subset_Layer2 id 181 182 183 184 185 186 187 188 189 190 190 atoms in group subset_Layer2 group subset_Layer2 id 191 192 193 194 195 196 197 198 199 200 200 atoms in group subset_Layer2 group subset_Layer2 id 201 202 203 204 205 206 207 208 209 210 210 atoms in group subset_Layer2 group subset_Layer2 id 211 212 213 214 215 216 217 218 219 220 220 atoms in group subset_Layer2 group subset_Layer2 id 221 222 223 224 225 226 227 228 229 230 230 atoms in group subset_Layer2 group subset_Layer2 id 231 232 233 234 235 236 237 238 239 240 240 atoms in group subset_Layer2 group subset_Layer2 id 241 242 243 244 245 246 247 248 249 250 250 atoms in group subset_Layer2 group subset_Layer2 id 251 252 253 254 255 256 257 258 259 260 260 atoms in group subset_Layer2 group subset_Layer2 id 261 262 263 264 265 266 267 268 269 270 270 atoms in group subset_Layer2 group subset_Layer2 id 271 272 273 274 275 276 277 278 279 280 280 atoms in group subset_Layer2 group subset_Layer2 id 281 282 283 284 285 286 287 288 289 290 290 atoms in group subset_Layer2 group subset_Layer2 id 291 292 293 294 295 296 297 298 299 300 300 atoms in group subset_Layer2 group subset_Layer2 id 301 302 303 304 305 306 307 308 309 310 310 atoms in group subset_Layer2 group subset_Layer2 id 311 312 313 314 315 316 317 318 319 320 320 atoms in group subset_Layer2 group subset_Layer2 id 321 322 323 324 325 326 327 328 329 330 330 atoms in group subset_Layer2 group subset_Layer2 id 331 332 333 334 335 336 337 338 339 340 340 atoms in group subset_Layer2 group subset_Layer2 id 341 342 343 344 345 346 347 348 349 350 350 atoms in group subset_Layer2 group subset_Layer2 id 351 352 353 354 355 356 357 358 359 360 360 atoms in group subset_Layer2 group subset_Layer2 id 361 362 363 364 365 366 367 368 369 370 370 atoms in group subset_Layer2 group subset_Layer2 id 371 372 373 374 375 376 377 378 379 380 380 atoms in group subset_Layer2 group subset_Layer2 id 381 382 383 384 385 386 387 388 389 390 390 atoms in group subset_Layer2 group subset_Layer2 id 391 392 393 394 395 396 397 398 399 400 400 atoms in group subset_Layer2 group subset_Layer2 id 401 402 403 404 405 406 407 408 409 410 410 atoms in group subset_Layer2 group subset_Layer2 id 411 412 413 414 415 416 417 418 419 420 420 atoms in group subset_Layer2 group subset_Layer2 id 421 422 423 424 425 426 427 428 429 430 430 atoms in group subset_Layer2 group subset_Layer2 id 431 432 433 434 435 436 437 438 439 440 440 atoms in group subset_Layer2 group subset_Layer2 id 441 442 443 444 445 446 447 448 449 450 450 atoms in group subset_Layer2 group subset_Layer2 id 451 452 453 454 455 456 457 458 459 460 460 atoms in group subset_Layer2 group subset_Layer2 id 461 462 463 464 465 466 467 468 469 470 470 atoms in group subset_Layer2 group subset_Layer2 id 471 472 473 474 475 476 477 478 479 480 480 atoms in group subset_Layer2 group subset_Layer2 id 481 482 483 484 485 486 487 488 489 490 490 atoms in group subset_Layer2 group subset_Layer2 id 491 492 493 494 495 496 497 498 499 500 500 atoms in group subset_Layer2 group subset_Layer2 id 501 502 503 504 505 506 507 508 509 510 510 atoms in group subset_Layer2 group subset_Layer2 id 511 512 513 514 515 516 517 518 519 520 520 atoms in group subset_Layer2 group subset_Layer2 id 521 522 523 524 525 526 527 528 529 530 530 atoms in group subset_Layer2 group subset_Layer2 id 531 532 533 534 535 536 537 538 539 540 540 atoms in group subset_Layer2 group subset_Layer2 id 541 542 543 544 545 546 547 548 549 550 550 atoms in group subset_Layer2 group subset_Layer2 id 551 552 553 554 555 556 557 558 559 560 560 atoms in group subset_Layer2 group subset_Layer2 id 561 562 563 564 565 566 567 568 569 570 570 atoms in group subset_Layer2 group subset_Layer2 id 571 572 573 574 575 576 577 578 579 580 580 atoms in group subset_Layer2 group subset_Layer2 id 581 582 583 584 585 586 587 588 589 590 590 atoms in group subset_Layer2 group subset_Layer2 id 591 592 593 594 595 596 597 598 599 600 600 atoms in group subset_Layer2 group subset_Layer2 id 601 602 603 604 605 606 607 608 609 610 610 atoms in group subset_Layer2 group subset_Layer2 id 611 612 613 614 615 616 617 618 619 620 620 atoms in group subset_Layer2 group subset_Layer2 id 621 622 623 624 625 626 627 628 629 630 630 atoms in group subset_Layer2 group subset_Layer2 id 631 632 633 634 635 636 637 638 639 640 640 atoms in group subset_Layer2 group subset_Layer2 id 641 642 643 644 645 646 647 648 649 650 650 atoms in group subset_Layer2 group subset_Layer2 id 651 652 653 654 655 656 657 658 659 660 660 atoms in group subset_Layer2 group subset_Layer2 id 661 662 663 664 665 666 667 668 669 670 670 atoms in group subset_Layer2 group subset_Layer2 id 671 672 673 674 675 676 677 678 679 680 680 atoms in group subset_Layer2 group subset_Layer2 id 681 682 683 684 685 686 687 688 689 690 690 atoms in group subset_Layer2 group subset_Layer2 id 691 692 693 694 695 696 697 698 699 700 700 atoms in group subset_Layer2 group subset_Layer2 id 701 702 703 704 705 706 707 708 709 710 710 atoms in group subset_Layer2 group subset_Layer2 id 711 712 713 714 715 716 717 718 719 720 720 atoms in group subset_Layer2 group subset_Layer2 id 721 722 723 724 725 726 727 728 729 730 730 atoms in group subset_Layer2 group subset_Layer2 id 731 732 733 734 735 736 737 738 739 740 740 atoms in group subset_Layer2 group subset_Layer2 id 741 742 743 744 745 746 747 748 749 750 750 atoms in group subset_Layer2 group subset_Layer2 id 751 752 753 754 755 756 757 758 759 760 760 atoms in group subset_Layer2 group subset_Layer2 id 761 762 763 764 765 766 767 768 769 770 770 atoms in group subset_Layer2 group subset_Layer2 id 771 772 773 774 775 776 777 778 779 780 780 atoms in group subset_Layer2 group subset_Layer2 id 781 782 783 784 785 786 787 788 789 790 790 atoms in group subset_Layer2 group subset_Layer2 id 791 792 793 794 795 796 797 798 799 800 800 atoms in group subset_Layer2 group subset_Layer2 id 801 802 803 804 805 806 807 808 809 810 810 atoms in group subset_Layer2 group subset_Layer2 id 811 812 813 814 815 816 817 818 819 820 820 atoms in group subset_Layer2 group subset_Layer2 id 821 822 823 824 825 826 827 828 829 830 830 atoms in group subset_Layer2 group subset_Layer2 id 831 832 833 834 835 836 837 838 839 840 840 atoms in group subset_Layer2 group subset_Layer2 id 841 842 843 844 845 846 847 848 849 850 850 atoms in group subset_Layer2 group subset_Layer2 id 851 852 853 854 855 856 857 858 859 860 860 atoms in group subset_Layer2 group subset_Layer2 id 861 862 863 864 865 866 867 868 869 870 870 atoms in group subset_Layer2 group subset_Layer2 id 871 872 873 874 875 876 877 878 879 880 880 atoms in group subset_Layer2 group subset_Layer2 id 881 882 883 884 885 886 887 888 889 890 890 atoms in group subset_Layer2 group subset_Layer2 id 891 892 893 894 895 896 897 898 899 900 900 atoms in group subset_Layer2 group subset_Layer2 id 901 902 903 904 905 906 907 908 909 910 910 atoms in group subset_Layer2 group subset_Layer2 id 911 912 913 914 915 916 917 918 919 920 920 atoms in group subset_Layer2 group subset_Layer2 id 921 922 923 924 925 926 927 928 929 930 930 atoms in group subset_Layer2 group subset_Layer2 id 931 932 933 934 935 936 937 938 939 940 940 atoms in group subset_Layer2 group subset_Layer2 id 941 942 943 944 945 946 947 948 949 950 950 atoms in group subset_Layer2 group subset_Layer2 id 951 952 953 954 955 956 957 958 959 960 960 atoms in group subset_Layer2 group subset_Layer2 id 961 962 963 964 965 966 967 968 969 970 970 atoms in group subset_Layer2 group subset_Layer2 id 971 972 973 974 975 976 977 978 979 980 980 atoms in group subset_Layer2 group subset_Layer2 id 981 982 983 984 985 986 987 988 989 990 990 atoms in group subset_Layer2 group subset_Layer2 id 991 992 993 994 995 996 997 998 999 1000 1000 atoms in group subset_Layer2 group subset_Layer2 id 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1010 atoms in group subset_Layer2 group subset_Layer2 id 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1020 atoms in group subset_Layer2 group subset_Layer2 id 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1030 atoms in group subset_Layer2 group subset_Layer2 id 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1040 atoms in group subset_Layer2 group subset_Layer2 id 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1050 atoms in group subset_Layer2 group subset_Layer2 id 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1060 atoms in group subset_Layer2 group subset_Layer2 id 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1070 atoms in group subset_Layer2 group subset_Layer2 id 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1080 atoms in group subset_Layer2 group subset_Layer2 id 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1090 atoms in group subset_Layer2 group subset_Layer2 id 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1100 atoms in group subset_Layer2 group subset_Layer2 id 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1110 atoms in group subset_Layer2 group subset_Layer2 id 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1120 atoms in group subset_Layer2 group subset_Layer2 id 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1130 atoms in group subset_Layer2 group subset_Layer2 id 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1140 atoms in group subset_Layer2 group subset_Layer2 id 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1150 atoms in group subset_Layer2 group subset_Layer2 id 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1160 atoms in group subset_Layer2 group subset_Layer2 id 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1170 atoms in group subset_Layer2 group subset_Layer2 id 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1180 atoms in group subset_Layer2 group subset_Layer2 id 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1190 atoms in group subset_Layer2 group subset_Layer2 id 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1200 atoms in group subset_Layer2 group subset_Layer2 id 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1210 atoms in group subset_Layer2 group subset_Layer2 id 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1220 atoms in group subset_Layer2 group subset_Layer2 id 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1230 atoms in group subset_Layer2 group subset_Layer2 id 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1240 atoms in group subset_Layer2 group subset_Layer2 id 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1250 atoms in group subset_Layer2 group subset_Layer2 id 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1260 atoms in group subset_Layer2 group subset_Layer2 id 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1270 atoms in group subset_Layer2 group subset_Layer2 id 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1280 atoms in group subset_Layer2 group subset_Layer2 id 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1290 atoms in group subset_Layer2 group subset_Layer2 id 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1300 atoms in group subset_Layer2 group subset_Layer2 id 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1310 atoms in group subset_Layer2 group subset_Layer2 id 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1320 atoms in group subset_Layer2 group subset_Layer2 id 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1330 atoms in group subset_Layer2 group subset_Layer2 id 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1340 atoms in group subset_Layer2 group subset_Layer2 id 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1350 atoms in group subset_Layer2 group subset_Layer2 id 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1360 atoms in group subset_Layer2 group subset_Layer2 id 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1370 atoms in group subset_Layer2 group subset_Layer2 id 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1380 atoms in group subset_Layer2 group subset_Layer2 id 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1390 atoms in group subset_Layer2 group subset_Layer2 id 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1400 atoms in group subset_Layer2 group subset_Layer2 id 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1410 atoms in group subset_Layer2 group subset_Layer2 id 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1420 atoms in group subset_Layer2 group subset_Layer2 id 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1430 atoms in group subset_Layer2 group subset_Layer2 id 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1440 atoms in group subset_Layer2 group subset_Layer2 id 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1450 atoms in group subset_Layer2 group subset_Layer2 id 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1460 atoms in group subset_Layer2 group subset_Layer2 id 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1470 atoms in group subset_Layer2 group subset_Layer2 id 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1480 atoms in group subset_Layer2 group subset_Layer2 id 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1490 atoms in group subset_Layer2 group subset_Layer2 id 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1500 atoms in group subset_Layer2 group subset_Layer2 id 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1510 atoms in group subset_Layer2 group subset_Layer2 id 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1520 atoms in group subset_Layer2 group subset_Layer2 id 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1530 atoms in group subset_Layer2 group subset_Layer2 id 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1540 atoms in group subset_Layer2 group subset_Layer2 id 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1550 atoms in group subset_Layer2 group subset_Layer2 id 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1560 atoms in group subset_Layer2 group subset_Layer2 id 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1570 atoms in group subset_Layer2 group subset_Layer2 id 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1580 atoms in group subset_Layer2 group subset_Layer2 id 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1590 atoms in group subset_Layer2 group subset_Layer2 id 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1600 atoms in group subset_Layer2 group subset_Layer2 id 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1610 atoms in group subset_Layer2 group subset_Layer2 id 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1620 atoms in group subset_Layer2 group subset_Layer2 id 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1630 atoms in group subset_Layer2 group subset_Layer2 id 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1640 atoms in group subset_Layer2 group subset_Layer2 id 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1650 atoms in group subset_Layer2 group subset_Layer2 id 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1660 atoms in group subset_Layer2 group subset_Layer2 id 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1670 atoms in group subset_Layer2 group subset_Layer2 id 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1680 atoms in group subset_Layer2 group subset_Layer2 id 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1690 atoms in group subset_Layer2 group subset_Layer2 id 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1700 atoms in group subset_Layer2 group subset_Layer2 id 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1710 atoms in group subset_Layer2 group subset_Layer2 id 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1720 atoms in group subset_Layer2 group subset_Layer2 id 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1730 atoms in group subset_Layer2 group subset_Layer2 id 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1740 atoms in group subset_Layer2 group subset_Layer2 id 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1750 atoms in group subset_Layer2 group subset_Layer2 id 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1760 atoms in group subset_Layer2 group subset_Layer2 id 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1770 atoms in group subset_Layer2 group subset_Layer2 id 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1780 atoms in group subset_Layer2 group subset_Layer2 id 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1790 atoms in group subset_Layer2 group subset_Layer2 id 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1800 atoms in group subset_Layer2 group subset_Layer2 id 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1810 atoms in group subset_Layer2 group subset_Layer2 id 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1820 atoms in group subset_Layer2 group subset_Layer2 id 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1830 atoms in group subset_Layer2 group subset_Layer2 id 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1840 atoms in group subset_Layer2 group subset_Layer2 id 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1850 atoms in group subset_Layer2 group subset_Layer2 id 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1860 atoms in group subset_Layer2 group subset_Layer2 id 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1870 atoms in group subset_Layer2 group subset_Layer2 id 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1880 atoms in group subset_Layer2 group subset_Layer2 id 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1890 atoms in group subset_Layer2 group subset_Layer2 id 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1900 atoms in group subset_Layer2 group subset_Layer2 id 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1910 atoms in group subset_Layer2 group subset_Layer2 id 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1920 atoms in group subset_Layer2 group subset_Layer2 id 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1930 atoms in group subset_Layer2 group subset_Layer2 id 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1940 atoms in group subset_Layer2 group subset_Layer2 id 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 1950 atoms in group subset_Layer2 group subset_Layer2 id 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 1960 atoms in group subset_Layer2 group subset_Layer2 id 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 1970 atoms in group subset_Layer2 group subset_Layer2 id 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980 1980 atoms in group subset_Layer2 group subset_Layer2 id 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1990 atoms in group subset_Layer2 group subset_Layer2 id 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2000 atoms in group subset_Layer2 group subset_Layer2 id 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2010 atoms in group subset_Layer2 group subset_Layer2 id 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020 2020 atoms in group subset_Layer2 group subset_Layer2 id 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2030 atoms in group subset_Layer2 group subset_Layer2 id 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2040 atoms in group subset_Layer2 group subset_Layer2 id 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 2050 atoms in group subset_Layer2 group subset_Layer2 id 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2060 atoms in group subset_Layer2 group subset_Layer2 id 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 2070 atoms in group subset_Layer2 group subset_Layer2 id 2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2080 atoms in group subset_Layer2 group subset_Layer2 id 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2090 atoms in group subset_Layer2 group subset_Layer2 id 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 2100 atoms in group subset_Layer2 group subset_Layer2 id 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2110 atoms in group subset_Layer2 group subset_Layer2 id 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 2120 atoms in group subset_Layer2 group subset_Layer2 id 2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2130 atoms in group subset_Layer2 group subset_Layer2 id 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 2140 atoms in group subset_Layer2 group subset_Layer2 id 2141 2142 2143 2144 2145 2146 2147 2148 2149 2150 2150 atoms in group subset_Layer2 group subset_Layer2 id 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 2160 atoms in group subset_Layer2 group subset_Layer2 id 2161 2162 2163 2164 2165 2166 2167 2168 2169 2170 2170 atoms in group subset_Layer2 group subset_Layer2 id 2171 2172 2173 2174 2175 2176 2177 2178 2179 2180 2180 atoms in group subset_Layer2 group subset_Layer2 id 2181 2182 2183 2184 2185 2186 2187 2188 2189 2190 2190 atoms in group subset_Layer2 group subset_Layer2 id 2191 2192 2193 2194 2195 2196 2197 2198 2199 2200 2200 atoms in group subset_Layer2 group subset_Layer2 id 2201 2202 2203 2204 2205 2206 2207 2208 2209 2210 2210 atoms in group subset_Layer2 group subset_Layer2 id 2211 2212 2213 2214 2215 2216 2217 2218 2219 2220 2220 atoms in group subset_Layer2 group subset_Layer2 id 2221 2222 2223 2224 2225 2226 2227 2228 2229 2230 2230 atoms in group subset_Layer2 group subset_Layer2 id 2231 2232 2233 2234 2235 2236 2237 2238 2239 2240 2240 atoms in group subset_Layer2 group subset_Layer2 id 2241 2242 2243 2244 2245 2246 2247 2248 2249 2250 2250 atoms in group subset_Layer2 group subset_Layer2 id 2251 2252 2253 2254 2255 2256 2257 2258 2259 2260 2260 atoms in group subset_Layer2 group subset_Layer2 id 2261 2262 2263 2264 2265 2266 2267 2268 2269 2270 2270 atoms in group subset_Layer2 group subset_Layer2 id 2271 2272 2273 2274 2275 2276 2277 2278 2279 2280 2280 atoms in group subset_Layer2 group subset_Layer2 id 2281 2282 2283 2284 2285 2286 2287 2288 2289 2290 2290 atoms in group subset_Layer2 group subset_Layer2 id 2291 2292 2293 2294 2295 2296 2297 2298 2299 2300 2300 atoms in group subset_Layer2 group subset_Layer2 id 2301 2302 2303 2304 2305 2306 2307 2308 2309 2310 2310 atoms in group subset_Layer2 group subset_Layer2 id 2311 2312 2313 2314 2315 2316 2317 2318 2319 2320 2320 atoms in group subset_Layer2 group subset_Layer2 id 2321 2322 2323 2324 2325 2326 2327 2328 2329 2330 2330 atoms in group subset_Layer2 group subset_Layer2 id 2331 2332 2333 2334 2335 2336 2337 2338 2339 2340 2340 atoms in group subset_Layer2 group subset_Layer2 id 2341 2342 2343 2344 2345 2346 2347 2348 2349 2350 2350 atoms in group subset_Layer2 group subset_Layer2 id 2351 2352 2353 2354 2355 2356 2357 2358 2359 2360 2360 atoms in group subset_Layer2 group subset_Layer2 id 2361 2362 2363 2364 2365 2366 2367 2368 2369 2370 2370 atoms in group subset_Layer2 group subset_Layer2 id 2371 2372 2373 2374 2375 2376 2377 2378 2379 2380 2380 atoms in group subset_Layer2 group subset_Layer2 id 2381 2382 2383 2384 2385 2386 2387 2388 2389 2390 2390 atoms in group subset_Layer2 group subset_Layer2 id 2391 2392 2393 2394 2395 2396 2397 2398 2399 2400 2400 atoms in group subset_Layer2 group subset_Layer2 id 2401 2402 2403 2404 2405 2406 2407 2408 2409 2410 2410 atoms in group subset_Layer2 group subset_Layer2 id 2411 2412 2413 2414 2415 2416 2417 2418 2419 2420 2420 atoms in group subset_Layer2 group subset_Layer2 id 2421 2422 2423 2424 2425 2426 2427 2428 2429 2430 2430 atoms in group subset_Layer2 group subset_Layer2 id 2431 2432 2433 2434 2435 2436 2437 2438 2439 2440 2440 atoms in group subset_Layer2 group subset_Layer2 id 2441 2442 2443 2444 2445 2446 2447 2448 2449 2450 2450 atoms in group subset_Layer2 group subset_Layer2 id 2451 2452 2453 2454 2455 2456 2457 2458 2459 2460 2460 atoms in group subset_Layer2 group subset_Layer2 id 2461 2462 2463 2464 2465 2466 2467 2468 2469 2470 2470 atoms in group subset_Layer2 group subset_Layer2 id 2471 2472 2473 2474 2475 2476 2477 2478 2479 2480 2480 atoms in group subset_Layer2 group subset_Layer2 id 2481 2482 2483 2484 2485 2486 2487 2488 2489 2490 2490 atoms in group subset_Layer2 group subset_Layer2 id 2491 2492 2493 2494 2495 2496 2497 2498 2499 2500 2500 atoms in group subset_Layer2 group subset_Layer2 id 2501 2502 2503 2504 2505 2506 2507 2508 2509 2510 2510 atoms in group subset_Layer2 group subset_Layer2 id 2511 2512 2513 2514 2515 2516 2517 2518 2519 2520 2520 atoms in group subset_Layer2 group subset_Layer2 id 2521 2522 2523 2524 2525 2526 2527 2528 2529 2530 2530 atoms in group subset_Layer2 group subset_Layer2 id 2531 2532 2533 2534 2535 2536 2537 2538 2539 2540 2540 atoms in group subset_Layer2 group subset_Layer2 id 2541 2542 2543 2544 2545 2546 2547 2548 2549 2550 2550 atoms in group subset_Layer2 group subset_Layer2 id 2551 2552 2553 2554 2555 2556 2557 2558 2559 2560 2560 atoms in group subset_Layer2 group subset_Layer2 id 2561 2562 2563 2564 2565 2566 2567 2568 2569 2570 2570 atoms in group subset_Layer2 group subset_Layer2 id 2571 2572 2573 2574 2575 2576 2577 2578 2579 2580 2580 atoms in group subset_Layer2 group subset_Layer2 id 2581 2582 2583 2584 2585 2586 2587 2588 2589 2590 2590 atoms in group subset_Layer2 group subset_Layer2 id 2591 2592 2593 2594 2595 2596 2597 2598 2599 2600 2600 atoms in group subset_Layer2 group subset_Layer2 id 2601 2602 2603 2604 2605 2606 2607 2608 2609 2610 2610 atoms in group subset_Layer2 group subset_Layer2 id 2611 2612 2613 2614 2615 2616 2617 2618 2619 2620 2620 atoms in group subset_Layer2 group subset_Layer2 id 2621 2622 2623 2624 2625 2626 2627 2628 2629 2630 2630 atoms in group subset_Layer2 group subset_Layer2 id 2631 2632 2633 2634 2635 2636 2637 2638 2639 2640 2640 atoms in group subset_Layer2 group subset_Layer2 id 2641 2642 2643 2644 2645 2646 2647 2648 2649 2650 2650 atoms in group subset_Layer2 group subset_Layer2 id 2651 2652 2653 2654 2655 2656 2657 2658 2659 2660 2660 atoms in group subset_Layer2 group subset_Layer2 id 2661 2662 2663 2664 2665 2666 2667 2668 2669 2670 2670 atoms in group subset_Layer2 group subset_Layer2 id 2671 2672 2673 2674 2675 2676 2677 2678 2679 2680 2680 atoms in group subset_Layer2 group subset_Layer2 id 2681 2682 2683 2684 2685 2686 2687 2688 2689 2690 2690 atoms in group subset_Layer2 group subset_Layer2 id 2691 2692 2693 2694 2695 2696 2697 2698 2699 2700 2700 atoms in group subset_Layer2 group subset_Layer2 id 2701 2702 2703 2704 2705 2706 2707 2708 2709 2710 2710 atoms in group subset_Layer2 group subset_Layer2 id 2711 2712 2713 2714 2715 2716 2717 2718 2719 2720 2720 atoms in group subset_Layer2 group subset_Layer2 id 2721 2722 2723 2724 2725 2726 2727 2728 2729 2730 2730 atoms in group subset_Layer2 group subset_Layer2 id 2731 2732 2733 2734 2735 2736 2737 2738 2739 2740 2740 atoms in group subset_Layer2 group subset_Layer2 id 2741 2742 2743 2744 2745 2746 2747 2748 2749 2750 2750 atoms in group subset_Layer2 group subset_Layer2 id 2751 2752 2753 2754 2755 2756 2757 2758 2759 2760 2760 atoms in group subset_Layer2 group subset_Layer2 id 2761 2762 2763 2764 2765 2766 2767 2768 2769 2770 2770 atoms in group subset_Layer2 group subset_Layer2 id 2771 2772 2773 2774 2775 2776 2777 2778 2779 2780 2780 atoms in group subset_Layer2 group subset_Layer2 id 2781 2782 2783 2784 2785 2786 2787 2788 2789 2790 2790 atoms in group subset_Layer2 group subset_Layer2 id 2791 2792 2793 2794 2795 2796 2797 2798 2799 2800 2800 atoms in group subset_Layer2 group subset_Layer2 id 2801 2802 2803 2804 2805 2806 2807 2808 2809 2810 2810 atoms in group subset_Layer2 group subset_Layer2 id 2811 2812 2813 2814 2815 2816 2817 2818 2819 2820 2820 atoms in group subset_Layer2 group subset_Layer2 id 2821 2822 2823 2824 2825 2826 2827 2828 2829 2830 2830 atoms in group subset_Layer2 group subset_Layer2 id 2831 2832 2833 2834 2835 2836 2837 2838 2839 2840 2840 atoms in group subset_Layer2 group subset_Layer2 id 2841 2842 2843 2844 2845 2846 2847 2848 2849 2850 2850 atoms in group subset_Layer2 group subset_Layer2 id 2851 2852 2853 2854 2855 2856 2857 2858 2859 2860 2860 atoms in group subset_Layer2 group subset_Layer2 id 2861 2862 2863 2864 2865 2866 2867 2868 2869 2870 2870 atoms in group subset_Layer2 group subset_Layer2 id 2871 2872 2873 2874 2875 2876 2877 2878 2879 2880 2880 atoms in group subset_Layer2 group subset_Layer2 id 2881 2882 2883 2884 2885 2886 2887 2888 2889 2890 2890 atoms in group subset_Layer2 group subset_Layer2 id 2891 2892 2893 2894 2895 2896 2897 2898 2899 2900 2900 atoms in group subset_Layer2 group subset_Layer2 id 2901 2902 2903 2904 2905 2906 2907 2908 2909 2910 2910 atoms in group subset_Layer2 group subset_Layer2 id 2911 2912 2913 2914 2915 2916 2917 2918 2919 2920 2920 atoms in group subset_Layer2 group subset_Layer2 id 2921 2922 2923 2924 2925 2926 2927 2928 2929 2930 2930 atoms in group subset_Layer2 group subset_Layer2 id 2931 2932 2933 2934 2935 2936 2937 2938 2939 2940 2940 atoms in group subset_Layer2 group subset_Layer2 id 2941 2942 2943 2944 2945 2946 2947 2948 2949 2950 2950 atoms in group subset_Layer2 group subset_Layer2 id 2951 2952 2953 2954 2955 2956 2957 2958 2959 2960 2960 atoms in group subset_Layer2 group subset_Layer2 id 2961 2962 2963 2964 2965 2966 2967 2968 2969 2970 2970 atoms in group subset_Layer2 group subset_Layer2 id 2971 2972 2973 2974 2975 2976 2977 2978 2979 2980 2980 atoms in group subset_Layer2 group subset_Layer2 id 2981 2982 2983 2984 2985 2986 2987 2988 2989 2990 2990 atoms in group subset_Layer2 group subset_Layer2 id 2991 2992 2993 2994 2995 2996 2997 2998 2999 3000 3000 atoms in group subset_Layer2 group subset_Layer2 id 3001 3002 3003 3004 3005 3006 3007 3008 3009 3010 3010 atoms in group subset_Layer2 group subset_Layer2 id 3011 3012 3013 3014 3015 3016 3017 3018 3019 3020 3020 atoms in group subset_Layer2 group subset_Layer2 id 3021 3022 3023 3024 3025 3026 3027 3028 3029 3030 3030 atoms in group subset_Layer2 group subset_Layer2 id 3031 3032 3033 3034 3035 3036 3037 3038 3039 3040 3040 atoms in group subset_Layer2 group subset_Layer2 id 3041 3042 3043 3044 3045 3046 3047 3048 3049 3050 3050 atoms in group subset_Layer2 group subset_Layer2 id 3051 3052 3053 3054 3055 3056 3057 3058 3059 3060 3060 atoms in group subset_Layer2 group subset_Layer2 id 3061 3062 3063 3064 3065 3066 3067 3068 3069 3070 3070 atoms in group subset_Layer2 group subset_Layer2 id 3071 3072 3073 3074 3075 3076 3077 3078 3079 3080 3080 atoms in group subset_Layer2 group subset_Layer2 id 3081 3082 3083 3084 3085 3086 3087 3088 3089 3090 3090 atoms in group subset_Layer2 group subset_Layer2 id 3091 3092 3093 3094 3095 3096 3097 3098 3099 3100 3100 atoms in group subset_Layer2 group subset_Layer2 id 3101 3102 3103 3104 3105 3106 3107 3108 3109 3110 3110 atoms in group subset_Layer2 group subset_Layer2 id 3111 3112 3113 3114 3115 3116 3117 3118 3119 3120 3120 atoms in group subset_Layer2 group subset_Layer2 id 3121 3122 3123 3124 3125 3126 3127 3128 3129 3130 3130 atoms in group subset_Layer2 group subset_Layer2 id 3131 3132 3133 3134 3135 3136 3137 3138 3139 3140 3140 atoms in group subset_Layer2 group subset_Layer2 id 3141 3142 3143 3144 3145 3146 3147 3148 3149 3150 3150 atoms in group subset_Layer2 group subset_Layer2 id 3151 3152 3153 3154 3155 3156 3157 3158 3159 3160 3160 atoms in group subset_Layer2 group subset_Layer2 id 3161 3162 3163 3164 3165 3166 3167 3168 3169 3170 3170 atoms in group subset_Layer2 group subset_Layer2 id 3171 3172 3173 3174 3175 3176 3177 3178 3179 3180 3180 atoms in group subset_Layer2 group subset_Layer2 id 3181 3182 3183 3184 3185 3186 3187 3188 3189 3190 3190 atoms in group subset_Layer2 group subset_Layer2 id 3191 3192 3193 3194 3195 3196 3197 3198 3199 3200 3200 atoms in group subset_Layer2 group subset_Layer2 id 3201 3202 3203 3204 3205 3206 3207 3208 3209 3210 3210 atoms in group subset_Layer2 group subset_Layer2 id 3211 3212 3213 3214 3215 3216 3217 3218 3219 3220 3220 atoms in group subset_Layer2 group subset_Layer2 id 3221 3222 3223 3224 3225 3226 3227 3228 3229 3230 3230 atoms in group subset_Layer2 group subset_Layer2 id 3231 3232 3233 3234 3235 3236 3237 3238 3239 3240 3240 atoms in group subset_Layer2 group subset_Layer2 id 3241 3242 3243 3244 3245 3246 3247 3248 3249 3250 3250 atoms in group subset_Layer2 group subset_Layer2 id 3251 3252 3253 3254 3255 3256 3257 3258 3259 3260 3260 atoms in group subset_Layer2 group subset_Layer2 id 3261 3262 3263 3264 3265 3266 3267 3268 3269 3270 3270 atoms in group subset_Layer2 group subset_Layer2 id 3271 3272 3273 3274 3275 3276 3277 3278 3279 3280 3280 atoms in group subset_Layer2 group subset_Layer2 id 3281 3282 3283 3284 3285 3286 3287 3288 3289 3290 3290 atoms in group subset_Layer2 group subset_Layer2 id 3291 3292 3293 3294 3295 3296 3297 3298 3299 3300 3300 atoms in group subset_Layer2 group subset_Layer2 id 3301 3302 3303 3304 3305 3306 3307 3308 3309 3310 3310 atoms in group subset_Layer2 group subset_Layer2 id 3311 3312 3313 3314 3315 3316 3317 3318 3319 3320 3320 atoms in group subset_Layer2 group subset_Layer2 id 3321 3322 3323 3324 3325 3326 3327 3328 3329 3330 3330 atoms in group subset_Layer2 group subset_Layer2 id 3331 3332 3333 3334 3335 3336 3337 3338 3339 3340 3340 atoms in group subset_Layer2 group subset_Layer2 id 3341 3342 3343 3344 3345 3346 3347 3348 3349 3350 3350 atoms in group subset_Layer2 group subset_Layer2 id 3351 3352 3353 3354 3355 3356 3357 3358 3359 3360 3360 atoms in group subset_Layer2 group subset_Layer2 id 3361 3362 3363 3364 3365 3366 3367 3368 3369 3370 3370 atoms in group subset_Layer2 group subset_Layer2 id 3371 3372 3373 3374 3375 3376 3377 3378 3379 3380 3380 atoms in group subset_Layer2 group subset_Layer2 id 3381 3382 3383 3384 3385 3386 3387 3388 3389 3390 3390 atoms in group subset_Layer2 group subset_Layer2 id 3391 3392 3393 3394 3395 3396 3397 3398 3399 3400 3400 atoms in group subset_Layer2 group subset_Layer2 id 3401 3402 3403 3404 3405 3406 3407 3408 3409 3410 3410 atoms in group subset_Layer2 group subset_Layer2 id 3411 3412 3413 3414 3415 3416 3417 3418 3419 3420 3420 atoms in group subset_Layer2 group subset_Layer2 id 3421 3422 3423 3424 3425 3426 3427 3428 3429 3430 3430 atoms in group subset_Layer2 group subset_Layer2 id 3431 3432 3433 3434 3435 3436 3437 3438 3439 3440 3440 atoms in group subset_Layer2 group subset_Layer2 id 3441 3442 3443 3444 3445 3446 3447 3448 3449 3450 3450 atoms in group subset_Layer2 group subset_Layer2 id 3451 3452 3453 3454 3455 3456 3457 3458 3459 3460 3460 atoms in group subset_Layer2 group subset_Layer2 id 3461 3462 3463 3464 3465 3466 3467 3468 3469 3470 3470 atoms in group subset_Layer2 group subset_Layer2 id 3471 3472 3473 3474 3475 3476 3477 3478 3479 3480 3480 atoms in group subset_Layer2 group subset_Layer2 id 3481 3482 3483 3484 3485 3486 3487 3488 3489 3490 3490 atoms in group subset_Layer2 group subset_Layer2 id 3491 3492 3493 3494 3495 3496 3497 3498 3499 3500 3500 atoms in group subset_Layer2 group subset_Layer2 id 3501 3502 3503 3504 3505 3506 3507 3508 3509 3510 3510 atoms in group subset_Layer2 group subset_Layer2 id 3511 3512 3513 3514 3515 3516 3517 3518 3519 3520 3520 atoms in group subset_Layer2 group subset_Layer2 id 3521 3522 3523 3524 3525 3526 3527 3528 3529 3530 3530 atoms in group subset_Layer2 group subset_Layer2 id 3531 3532 3533 3534 3535 3536 3537 3538 3539 3540 3540 atoms in group subset_Layer2 group subset_Layer2 id 3541 3542 3543 3544 3545 3546 3547 3548 3549 3550 3550 atoms in group subset_Layer2 group subset_Layer2 id 3551 3552 3553 3554 3555 3556 3557 3558 3559 3560 3560 atoms in group subset_Layer2 group subset_Layer2 id 3561 3562 3563 3564 3565 3566 3567 3568 3569 3570 3570 atoms in group subset_Layer2 group subset_Layer2 id 3571 3572 3573 3574 3575 3576 3577 3578 3579 3580 3580 atoms in group subset_Layer2 group subset_Layer2 id 3581 3582 3583 3584 3585 3586 3587 3588 3589 3590 3590 atoms in group subset_Layer2 group subset_Layer2 id 3591 3592 3593 3594 3595 3596 3597 3598 3599 3600 3600 atoms in group subset_Layer2 group subset_Layer2 id 3601 3602 3603 3604 3605 3606 3607 3608 3609 3610 3610 atoms in group subset_Layer2 group subset_Layer2 id 3611 3612 3613 3614 3615 3616 3617 3618 3619 3620 3620 atoms in group subset_Layer2 group subset_Layer2 id 3621 3622 3623 3624 3625 3626 3627 3628 3629 3630 3630 atoms in group subset_Layer2 group subset_Layer2 id 3631 3632 3633 3634 3635 3636 3637 3638 3639 3640 3640 atoms in group subset_Layer2 group subset_Layer2 id 3641 3642 3643 3644 3645 3646 3647 3648 3649 3650 3650 atoms in group subset_Layer2 group subset_Layer2 id 3651 3652 3653 3654 3655 3656 3657 3658 3659 3660 3660 atoms in group subset_Layer2 group subset_Layer2 id 3661 3662 3663 3664 3665 3666 3667 3668 3669 3670 3670 atoms in group subset_Layer2 group subset_Layer2 id 3671 3672 3673 3674 3675 3676 3677 3678 3679 3680 3680 atoms in group subset_Layer2 group subset_Layer2 id 3681 3682 3683 3684 3685 3686 3687 3688 3689 3690 3690 atoms in group subset_Layer2 group subset_Layer2 id 3691 3692 3693 3694 3695 3696 3697 3698 3699 3700 3700 atoms in group subset_Layer2 group subset_Layer2 id 3701 3702 3703 3704 3705 3706 3707 3708 3709 3710 3710 atoms in group subset_Layer2 group subset_Layer2 id 3711 3712 3713 3714 3715 3716 3717 3718 3719 3720 3720 atoms in group subset_Layer2 group subset_Layer2 id 3721 3722 3723 3724 3725 3726 3727 3728 3729 3730 3730 atoms in group subset_Layer2 group subset_Layer2 id 3731 3732 3733 3734 3735 3736 3737 3738 3739 3740 3740 atoms in group subset_Layer2 group subset_Layer2 id 3741 3742 3743 3744 3745 3746 3747 3748 3749 3750 3750 atoms in group subset_Layer2 group subset_Layer2 id 3751 3752 3753 3754 3755 3756 3757 3758 3759 3760 3760 atoms in group subset_Layer2 group subset_Layer2 id 3761 3762 3763 3764 3765 3766 3767 3768 3769 3770 3770 atoms in group subset_Layer2 group subset_Layer2 id 3771 3772 3773 3774 3775 3776 3777 3778 3779 3780 3780 atoms in group subset_Layer2 group subset_Layer2 id 3781 3782 3783 3784 3785 3786 3787 3788 3789 3790 3790 atoms in group subset_Layer2 group subset_Layer2 id 3791 3792 3793 3794 3795 3796 3797 3798 3799 3800 3800 atoms in group subset_Layer2 group subset_Layer2 id 3801 3802 3803 3804 3805 3806 3807 3808 3809 3810 3810 atoms in group subset_Layer2 group subset_Layer2 id 3811 3812 3813 3814 3815 3816 3817 3818 3819 3820 3820 atoms in group subset_Layer2 group subset_Layer2 id 3821 3822 3823 3824 3825 3826 3827 3828 3829 3830 3830 atoms in group subset_Layer2 group subset_Layer2 id 3831 3832 3833 3834 3835 3836 3837 3838 3839 3840 3840 atoms in group subset_Layer2 group subset_Layer2 id 3841 3842 3843 3844 3845 3846 3847 3848 3849 3850 3850 atoms in group subset_Layer2 group subset_Layer2 id 3851 3852 3853 3854 3855 3856 3857 3858 3859 3860 3860 atoms in group subset_Layer2 group subset_Layer2 id 3861 3862 3863 3864 3865 3866 3867 3868 3869 3870 3870 atoms in group subset_Layer2 group subset_Layer2 id 3871 3872 3873 3874 3875 3876 3877 3878 3879 3880 3880 atoms in group subset_Layer2 group subset_Layer2 id 3881 3882 3883 3884 3885 3886 3887 3888 3889 3890 3890 atoms in group subset_Layer2 group subset_Layer2 id 3891 3892 3893 3894 3895 3896 3897 3898 3899 3900 3900 atoms in group subset_Layer2 group subset_Layer2 id 3901 3902 3903 3904 3905 3906 3907 3908 3909 3910 3910 atoms in group subset_Layer2 group subset_Layer2 id 3911 3912 3913 3914 3915 3916 3917 3918 3919 3920 3920 atoms in group subset_Layer2 group subset_Layer2 id 3921 3922 3923 3924 3925 3926 3927 3928 3929 3930 3930 atoms in group subset_Layer2 group subset_Layer2 id 3931 3932 3933 3934 3935 3936 3937 3938 3939 3940 3940 atoms in group subset_Layer2 group subset_Layer2 id 3941 3942 3943 3944 3945 3946 3947 3948 3949 3950 3950 atoms in group subset_Layer2 group subset_Layer2 id 3951 3952 3953 3954 3955 3956 3957 3958 3959 3960 3960 atoms in group subset_Layer2 group subset_Layer2 id 3961 3962 3963 3964 3965 3966 3967 3968 3969 3970 3970 atoms in group subset_Layer2 group subset_Layer2 id 3971 3972 3973 3974 3975 3976 3977 3978 3979 3980 3980 atoms in group subset_Layer2 group subset_Layer2 id 3981 3982 3983 3984 3985 3986 3987 3988 3989 3990 3990 atoms in group subset_Layer2 group subset_Layer2 id 3991 3992 3993 3994 3995 3996 3997 3998 3999 4000 4000 atoms in group subset_Layer2 group subset_Layer2 id 4001 4002 4003 4004 4005 4006 4007 4008 4009 4010 4010 atoms in group subset_Layer2 group subset_Layer2 id 4011 4012 4013 4014 4015 4016 4017 4018 4019 4020 4020 atoms in group subset_Layer2 group subset_Layer2 id 4021 4022 4023 4024 4025 4026 4027 4028 4029 4030 4030 atoms in group subset_Layer2 group subset_Layer2 id 4031 4032 4033 4034 4035 4036 4037 4038 4039 4040 4040 atoms in group subset_Layer2 group subset_Layer2 id 4041 4042 4043 4044 4045 4046 4047 4048 4049 4050 4050 atoms in group subset_Layer2 group subset_Layer2 id 4051 4052 4053 4054 4055 4056 4057 4058 4059 4060 4060 atoms in group subset_Layer2 group subset_Layer2 id 4061 4062 4063 4064 4065 4066 4067 4068 4069 4070 4070 atoms in group subset_Layer2 group subset_Layer2 id 4071 4072 4073 4074 4075 4076 4077 4078 4079 4080 4080 atoms in group subset_Layer2 group subset_Layer2 id 4081 4082 4083 4084 4085 4086 4087 4088 4089 4090 4090 atoms in group subset_Layer2 group subset_Layer2 id 4091 4092 4093 4094 4095 4096 4097 4098 4099 4100 4100 atoms in group subset_Layer2 group subset_Layer2 id 4101 4102 4103 4104 4105 4106 4107 4108 4109 4110 4110 atoms in group subset_Layer2 group subset_Layer2 id 4111 4112 4113 4114 4115 4116 4117 4118 4119 4120 4120 atoms in group subset_Layer2 group subset_Layer2 id 4121 4122 4123 4124 4125 4126 4127 4128 4129 4130 4130 atoms in group subset_Layer2 group subset_Layer2 id 4131 4132 4133 4134 4135 4136 4137 4138 4139 4140 4140 atoms in group subset_Layer2 group subset_Layer2 id 4141 4142 4143 4144 4145 4146 4147 4148 4149 4150 4150 atoms in group subset_Layer2 group subset_Layer2 id 4151 4152 4153 4154 4155 4156 4157 4158 4159 4160 4160 atoms in group subset_Layer2 group subset_Li_1 id 4161 4162 4163 4164 4165 4166 4167 4168 4169 4170 10 atoms in group subset_Li_1 group subset_Li_1 id 4171 11 atoms in group subset_Li_1 group subset_K_1 id 4172 4173 4174 4175 4176 4177 4178 4179 4180 4181 10 atoms in group subset_K_1 group subset_K_1 id 4182 4183 4184 4185 4186 4187 4188 4189 4190 4191 20 atoms in group subset_K_1 group subset_K_1 id 4192 4193 4194 4195 4196 4197 4198 4199 4200 4201 30 atoms in group subset_K_1 group subset_K_1 id 4202 4203 4204 4205 34 atoms in group subset_K_1 group subset_Mg_1 id 4206 4207 4208 4209 4210 4211 4212 4213 4214 4215 10 atoms in group subset_Mg_1 group subset_Mg_1 id 4216 4217 4218 4219 4220 4221 4222 4223 4224 4225 20 atoms in group subset_Mg_1 group subset_Mg_1 id 4226 4227 4228 4229 4230 4231 4232 4233 4234 4235 30 atoms in group subset_Mg_1 group subset_Mg_1 id 4236 4237 4238 4239 4240 4241 4242 4243 4244 4245 40 atoms in group subset_Mg_1 group subset_Mg_1 id 4246 4247 4248 4249 4250 4251 4252 4253 4254 4255 50 atoms in group subset_Mg_1 group subset_Mg_1 id 4256 4257 4258 4259 4260 4261 4262 4263 4264 4265 60 atoms in group subset_Mg_1 group subset_Mg_1 id 4266 4267 4268 4269 4270 4271 4272 4273 4274 4275 70 atoms in group subset_Mg_1 group subset_Mg_1 id 4276 4277 4278 4279 4280 4281 4282 4283 4284 4285 80 atoms in group subset_Mg_1 group subset_Mg_1 id 4286 4287 4288 4289 4290 4291 4292 4293 4294 4295 90 atoms in group subset_Mg_1 group subset_Mg_1 id 4296 4297 4298 4299 4300 4301 4302 4303 4304 4305 100 atoms in group subset_Mg_1 group subset_Mg_1 id 4306 4307 4308 4309 4310 4311 4312 4313 4314 4315 110 atoms in group subset_Mg_1 group subset_Mg_1 id 4316 4317 4318 4319 4320 4321 4322 4323 4324 4325 120 atoms in group subset_Mg_1 group subset_Mg_1 id 4326 4327 4328 4329 4330 4331 4332 4333 4334 4335 130 atoms in group subset_Mg_1 group subset_Mg_1 id 4336 4337 4338 4339 4340 4341 4342 4343 4344 4345 140 atoms in group subset_Mg_1 group subset_Mg_1 id 4346 4347 4348 4349 4350 4351 4352 4353 4354 4355 150 atoms in group subset_Mg_1 group subset_Mg_1 id 4356 4357 4358 4359 4360 4361 4362 4363 4364 4365 160 atoms in group subset_Mg_1 group subset_Mg_1 id 4366 4367 4368 4369 4370 4371 4372 4373 4374 4375 170 atoms in group subset_Mg_1 group subset_Mg_1 id 4376 4377 4378 4379 4380 4381 4382 4383 4384 4385 180 atoms in group subset_Mg_1 group subset_Mg_1 id 4386 4387 4388 4389 4390 4391 4392 4393 4394 4395 190 atoms in group subset_Mg_1 group subset_Mg_1 id 4396 4397 4398 4399 4400 4401 4402 4403 4404 4405 200 atoms in group subset_Mg_1 group subset_Mg_1 id 4406 4407 4408 4409 4410 4411 4412 4413 4414 4415 210 atoms in group subset_Mg_1 group subset_Mg_1 id 4416 4417 4418 4419 4420 4421 4422 4423 4424 4425 220 atoms in group subset_Mg_1 group subset_Mg_1 id 4426 4427 4428 4429 4430 4431 226 atoms in group subset_Mg_1 group subset_Cl_1 id 4432 4433 4434 4435 4436 4437 4438 4439 4440 4441 10 atoms in group subset_Cl_1 group subset_Cl_1 id 4442 4443 4444 4445 4446 4447 4448 4449 4450 4451 20 atoms in group subset_Cl_1 group subset_Cl_1 id 4452 4453 4454 4455 4456 4457 4458 4459 4460 4461 30 atoms in group subset_Cl_1 group subset_Cl_1 id 4462 4463 4464 4465 4466 4467 4468 4469 4470 4471 40 atoms in group subset_Cl_1 group subset_Cl_1 id 4472 4473 4474 4475 4476 4477 4478 4479 4480 4481 50 atoms in group subset_Cl_1 group subset_Cl_1 id 4482 4483 4484 4485 4486 4487 4488 4489 4490 4491 60 atoms in group subset_Cl_1 group subset_Cl_1 id 4492 4493 4494 4495 4496 4497 4498 4499 4500 4501 70 atoms in group subset_Cl_1 group subset_Cl_1 id 4502 4503 4504 4505 4506 4507 4508 4509 4510 4511 80 atoms in group subset_Cl_1 group subset_Cl_1 id 4512 4513 4514 4515 4516 4517 4518 4519 4520 4521 90 atoms in group subset_Cl_1 group subset_Cl_1 id 4522 4523 4524 4525 4526 4527 4528 4529 4530 4531 100 atoms in group subset_Cl_1 group subset_Cl_1 id 4532 4533 4534 4535 4536 4537 4538 4539 4540 4541 110 atoms in group subset_Cl_1 group subset_Cl_1 id 4542 4543 4544 4545 4546 4547 4548 4549 4550 4551 120 atoms in group subset_Cl_1 group subset_Cl_1 id 4552 4553 4554 4555 4556 4557 4558 4559 4560 4561 130 atoms in group subset_Cl_1 group subset_Cl_1 id 4562 4563 4564 4565 4566 4567 4568 4569 4570 4571 140 atoms in group subset_Cl_1 group subset_Cl_1 id 4572 4573 4574 4575 4576 4577 4578 4579 4580 4581 150 atoms in group subset_Cl_1 group subset_Cl_1 id 4582 4583 4584 4585 4586 4587 4588 4589 4590 4591 160 atoms in group subset_Cl_1 group subset_Cl_1 id 4592 4593 4594 4595 4596 4597 4598 4599 4600 4601 170 atoms in group subset_Cl_1 group subset_Cl_1 id 4602 4603 4604 4605 4606 4607 4608 4609 4610 4611 180 atoms in group subset_Cl_1 group subset_Cl_1 id 4612 4613 4614 4615 4616 4617 4618 4619 4620 4621 190 atoms in group subset_Cl_1 group subset_Cl_1 id 4622 4623 4624 4625 4626 4627 4628 4629 4630 4631 200 atoms in group subset_Cl_1 group subset_Cl_1 id 4632 4633 4634 4635 4636 4637 4638 4639 4640 4641 210 atoms in group subset_Cl_1 group subset_Cl_1 id 4642 4643 4644 4645 4646 4647 4648 4649 4650 4651 220 atoms in group subset_Cl_1 group subset_Cl_1 id 4652 4653 4654 4655 4656 4657 4658 4659 4660 4661 230 atoms in group subset_Cl_1 group subset_Cl_1 id 4662 4663 4664 4665 4666 4667 4668 4669 4670 4671 240 atoms in group subset_Cl_1 group subset_Cl_1 id 4672 4673 4674 4675 4676 4677 4678 4679 4680 4681 250 atoms in group subset_Cl_1 group subset_Cl_1 id 4682 4683 4684 4685 4686 4687 4688 4689 4690 4691 260 atoms in group subset_Cl_1 group subset_Cl_1 id 4692 4693 4694 4695 4696 4697 4698 4699 4700 4701 270 atoms in group subset_Cl_1 group subset_Cl_1 id 4702 4703 4704 4705 4706 4707 4708 4709 4710 4711 280 atoms in group subset_Cl_1 group subset_Cl_1 id 4712 4713 4714 4715 4716 4717 4718 4719 4720 4721 290 atoms in group subset_Cl_1 group subset_Cl_1 id 4722 4723 4724 4725 4726 4727 4728 4729 4730 4731 300 atoms in group subset_Cl_1 group subset_Cl_1 id 4732 4733 4734 4735 4736 4737 4738 4739 4740 4741 310 atoms in group subset_Cl_1 group subset_Cl_1 id 4742 4743 4744 4745 4746 4747 4748 4749 4750 4751 320 atoms in group subset_Cl_1 group subset_Cl_1 id 4752 4753 4754 4755 4756 4757 4758 4759 4760 4761 330 atoms in group subset_Cl_1 group subset_Cl_1 id 4762 4763 4764 4765 4766 4767 4768 4769 4770 4771 340 atoms in group subset_Cl_1 group subset_Cl_1 id 4772 4773 4774 4775 4776 4777 4778 4779 4780 4781 350 atoms in group subset_Cl_1 group subset_Cl_1 id 4782 4783 4784 4785 4786 4787 4788 4789 4790 4791 360 atoms in group subset_Cl_1 group subset_Cl_1 id 4792 4793 4794 4795 4796 4797 4798 4799 4800 4801 370 atoms in group subset_Cl_1 group subset_Cl_1 id 4802 4803 4804 4805 4806 4807 4808 4809 4810 4811 380 atoms in group subset_Cl_1 group subset_Cl_1 id 4812 4813 4814 4815 4816 4817 4818 4819 4820 4821 390 atoms in group subset_Cl_1 group subset_Cl_1 id 4822 4823 4824 4825 4826 4827 4828 4829 4830 4831 400 atoms in group subset_Cl_1 group subset_Cl_1 id 4832 4833 4834 4835 4836 4837 4838 4839 4840 4841 410 atoms in group subset_Cl_1 group subset_Cl_1 id 4842 4843 4844 4845 4846 4847 4848 4849 4850 4851 420 atoms in group subset_Cl_1 group subset_Cl_1 id 4852 4853 4854 4855 4856 4857 4858 4859 4860 4861 430 atoms in group subset_Cl_1 group subset_Cl_1 id 4862 4863 432 atoms in group subset_Cl_1 group subset_O(SO4)_1 id 4865 4866 4867 4868 4870 4871 4872 4873 4875 4876 10 atoms in group subset_O(SO4)_1 group subset_O(SO4)_1 id 4877 4878 4880 4881 4882 4883 4885 4886 4887 4888 20 atoms in group subset_O(SO4)_1 group subset_O(SO4)_1 id 4890 4891 4892 4893 4895 4896 4897 4898 4900 4901 30 atoms in group subset_O(SO4)_1 group subset_O(SO4)_1 id 4902 4903 4905 4906 4907 4908 4910 4911 4912 4913 40 atoms in group subset_O(SO4)_1 group subset_O(SO4)_1 id 4915 4916 4917 4918 4920 4921 4922 4923 4925 4926 50 atoms in group subset_O(SO4)_1 group subset_O(SO4)_1 id 4927 4928 4930 4931 4932 4933 4935 4936 4937 4938 60 atoms in group subset_O(SO4)_1 group subset_O(SO4)_1 id 4940 4941 4942 4943 4945 4946 4947 4948 4950 4951 70 atoms in group subset_O(SO4)_1 group subset_O(SO4)_1 id 4952 4953 4955 4956 4957 4958 4960 4961 4962 4963 80 atoms in group subset_O(SO4)_1 group subset_O(SO4)_1 id 4965 4966 4967 4968 4970 4971 4972 4973 4975 4976 90 atoms in group subset_O(SO4)_1 group subset_O(SO4)_1 id 4977 4978 4980 4981 4982 4983 4985 4986 4987 4988 100 atoms in group subset_O(SO4)_1 group subset_O(SO4)_1 id 4990 4991 4992 4993 4995 4996 4997 4998 5000 5001 110 atoms in group subset_O(SO4)_1 group subset_O(SO4)_1 id 5002 5003 5005 5006 5007 5008 5010 5011 5012 5013 120 atoms in group subset_O(SO4)_1 group subset_O(SO4)_1 id 5015 5016 5017 5018 5020 5021 5022 5023 5025 5026 130 atoms in group subset_O(SO4)_1 group subset_O(SO4)_1 id 5027 5028 5030 5031 5032 5033 136 atoms in group subset_O(SO4)_1 group subset_S(SO4)_1 id 4864 4869 4874 4879 4884 4889 4894 4899 4904 4909 10 atoms in group subset_S(SO4)_1 group subset_S(SO4)_1 id 4914 4919 4924 4929 4934 4939 4944 4949 4954 4959 20 atoms in group 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5247 5250 5253 5256 5259 5262 5265 5268 5271 80 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5274 5277 5280 5283 5286 5289 5292 5295 5298 5301 90 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5304 5307 5310 5313 5316 5319 5322 5325 5328 5331 100 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5334 5337 5340 5343 5346 5349 5352 5355 5358 5361 110 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5364 5367 5370 5373 5376 5379 5382 5385 5388 5391 120 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5394 5397 5400 5403 5406 5409 5412 5415 5418 5421 130 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5424 5427 5430 5433 5436 5439 5442 5445 5448 5451 140 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5454 5457 5460 5463 5466 5469 5472 5475 5478 5481 150 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5484 5487 5490 5493 5496 5499 5502 5505 5508 5511 160 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5514 5517 5520 5523 5526 5529 5532 5535 5538 5541 170 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5544 5547 5550 5553 5556 5559 5562 5565 5568 5571 180 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5574 5577 5580 5583 5586 5589 5592 5595 5598 5601 190 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5604 5607 5610 5613 5616 5619 5622 5625 5628 5631 200 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5634 5637 5640 5643 5646 5649 5652 5655 5658 5661 210 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5664 5667 5670 5673 5676 5679 5682 5685 5688 5691 220 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5694 5697 5700 5703 5706 5709 5712 5715 5718 5721 230 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5724 5727 5730 5733 5736 5739 5742 5745 5748 5751 240 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5754 5757 5760 5763 5766 5769 5772 5775 5778 5781 250 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 5784 5787 5790 5793 5796 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6075 6078 6081 350 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6084 6087 6090 6093 6096 6099 6102 6105 6108 6111 360 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6114 6117 6120 6123 6126 6129 6132 6135 6138 6141 370 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6144 6147 6150 6153 6156 6159 6162 6165 6168 6171 380 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6174 6177 6180 6183 6186 6189 6192 6195 6198 6201 390 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6204 6207 6210 6213 6216 6219 6222 6225 6228 6231 400 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6234 6237 6240 6243 6246 6249 6252 6255 6258 6261 410 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6264 6267 6270 6273 6276 6279 6282 6285 6288 6291 420 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6294 6297 6300 6303 6306 6309 6312 6315 6318 6321 430 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6324 6327 6330 6333 6336 6339 6342 6345 6348 6351 440 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6354 6357 6360 6363 6366 6369 6372 6375 6378 6381 450 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6384 6387 6390 6393 6396 6399 6402 6405 6408 6411 460 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6414 6417 6420 6423 6426 6429 6432 6435 6438 6441 470 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6444 6447 6450 6453 6456 6459 6462 6465 6468 6471 480 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6474 6477 6480 6483 6486 6489 6492 6495 6498 6501 490 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6504 6507 6510 6513 6516 6519 6522 6525 6528 6531 500 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6534 6537 6540 6543 6546 6549 6552 6555 6558 6561 510 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6564 6567 6570 6573 6576 6579 6582 6585 6588 6591 520 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 6594 6597 6600 6603 6606 6609 6612 6615 6618 6621 530 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10122 10125 10128 10131 1700 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10134 10137 10140 10143 10146 10149 10152 10155 10158 10161 1710 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10164 10167 10170 10173 10176 10179 10182 10185 10188 10191 1720 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10194 10197 10200 10203 10206 10209 10212 10215 10218 10221 1730 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10224 10227 10230 10233 10236 10239 10242 10245 10248 10251 1740 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10254 10257 10260 10263 10266 10269 10272 10275 10278 10281 1750 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10284 10287 10290 10293 10296 10299 10302 10305 10308 10311 1760 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10314 10317 10320 10323 10326 10329 10332 10335 10338 10341 1770 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10344 10347 10350 10353 10356 10359 10362 10365 10368 10371 1780 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10374 10377 10380 10383 10386 10389 10392 10395 10398 10401 1790 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10404 10407 10410 10413 10416 10419 10422 10425 10428 10431 1800 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10434 10437 10440 10443 10446 10449 10452 10455 10458 10461 1810 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10464 10467 10470 10473 10476 10479 10482 10485 10488 10491 1820 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10494 10497 10500 10503 10506 10509 10512 10515 10518 10521 1830 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10524 10527 10530 10533 10536 10539 10542 10545 10548 10551 1840 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10554 10557 10560 10563 10566 10569 10572 10575 10578 10581 1850 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10584 10587 10590 10593 10596 10599 10602 10605 10608 10611 1860 atoms in group subset_O(H2O)_1 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10857 10860 10863 10866 10869 10872 10875 10878 10881 1950 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10884 10887 10890 10893 10896 10899 10902 10905 10908 10911 1960 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10914 10917 10920 10923 10926 10929 10932 10935 10938 10941 1970 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10944 10947 10950 10953 10956 10959 10962 10965 10968 10971 1980 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 10974 10977 10980 10983 10986 10989 10992 10995 10998 11001 1990 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11004 11007 11010 11013 11016 11019 11022 11025 11028 11031 2000 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11034 11037 11040 11043 11046 11049 11052 11055 11058 11061 2010 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11064 11067 11070 11073 11076 11079 11082 11085 11088 11091 2020 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11094 11097 11100 11103 11106 11109 11112 11115 11118 11121 2030 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11124 11127 11130 11133 11136 11139 11142 11145 11148 11151 2040 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11154 11157 11160 11163 11166 11169 11172 11175 11178 11181 2050 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11184 11187 11190 11193 11196 11199 11202 11205 11208 11211 2060 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11214 11217 11220 11223 11226 11229 11232 11235 11238 11241 2070 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11244 11247 11250 11253 11256 11259 11262 11265 11268 11271 2080 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11274 11277 11280 11283 11286 11289 11292 11295 11298 11301 2090 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11304 11307 11310 11313 11316 11319 11322 11325 11328 11331 2100 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11334 11337 11340 11343 11346 11349 11352 11355 11358 11361 2110 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11364 11367 11370 11373 11376 11379 11382 11385 11388 11391 2120 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11394 11397 11400 11403 11406 11409 11412 11415 11418 11421 2130 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11424 11427 11430 11433 11436 11439 11442 11445 11448 11451 2140 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11454 11457 11460 11463 11466 11469 11472 11475 11478 11481 2150 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11484 11487 11490 11493 11496 11499 11502 11505 11508 11511 2160 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11514 11517 11520 11523 11526 11529 11532 11535 11538 11541 2170 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11544 11547 11550 11553 11556 11559 11562 11565 11568 11571 2180 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11574 11577 11580 11583 11586 11589 11592 11595 11598 11601 2190 atoms in group subset_O(H2O)_1 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11847 11850 11853 11856 11859 11862 11865 11868 11871 2280 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11874 11877 11880 11883 11886 11889 11892 11895 11898 11901 2290 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11904 11907 11910 11913 11916 11919 11922 11925 11928 11931 2300 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11934 11937 11940 11943 11946 11949 11952 11955 11958 11961 2310 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11964 11967 11970 11973 11976 11979 11982 11985 11988 11991 2320 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 11994 11997 12000 12003 12006 12009 12012 12015 12018 12021 2330 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12024 12027 12030 12033 12036 12039 12042 12045 12048 12051 2340 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12054 12057 12060 12063 12066 12069 12072 12075 12078 12081 2350 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12084 12087 12090 12093 12096 12099 12102 12105 12108 12111 2360 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12114 12117 12120 12123 12126 12129 12132 12135 12138 12141 2370 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12144 12147 12150 12153 12156 12159 12162 12165 12168 12171 2380 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12174 12177 12180 12183 12186 12189 12192 12195 12198 12201 2390 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12204 12207 12210 12213 12216 12219 12222 12225 12228 12231 2400 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12234 12237 12240 12243 12246 12249 12252 12255 12258 12261 2410 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12264 12267 12270 12273 12276 12279 12282 12285 12288 12291 2420 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12294 12297 12300 12303 12306 12309 12312 12315 12318 12321 2430 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12324 12327 12330 12333 12336 12339 12342 12345 12348 12351 2440 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12354 12357 12360 12363 12366 12369 12372 12375 12378 12381 2450 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12384 12387 12390 12393 12396 12399 12402 12405 12408 12411 2460 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12414 12417 12420 12423 12426 12429 12432 12435 12438 12441 2470 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12444 12447 12450 12453 12456 12459 12462 12465 12468 12471 2480 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12474 12477 12480 12483 12486 12489 12492 12495 12498 12501 2490 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12504 12507 12510 12513 12516 12519 12522 12525 12528 12531 2500 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12534 12537 12540 12543 12546 12549 12552 12555 12558 12561 2510 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12564 12567 12570 12573 12576 12579 12582 12585 12588 12591 2520 atoms in group subset_O(H2O)_1 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12837 12840 12843 12846 12849 12852 12855 12858 12861 2610 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12864 12867 12870 12873 12876 12879 12882 12885 12888 12891 2620 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12894 12897 12900 12903 12906 12909 12912 12915 12918 12921 2630 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12924 12927 12930 12933 12936 12939 12942 12945 12948 12951 2640 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12954 12957 12960 12963 12966 12969 12972 12975 12978 12981 2650 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 12984 12987 12990 12993 12996 12999 13002 13005 13008 13011 2660 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13014 13017 13020 13023 13026 13029 13032 13035 13038 13041 2670 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13044 13047 13050 13053 13056 13059 13062 13065 13068 13071 2680 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13074 13077 13080 13083 13086 13089 13092 13095 13098 13101 2690 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13104 13107 13110 13113 13116 13119 13122 13125 13128 13131 2700 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13134 13137 13140 13143 13146 13149 13152 13155 13158 13161 2710 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13164 13167 13170 13173 13176 13179 13182 13185 13188 13191 2720 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13194 13197 13200 13203 13206 13209 13212 13215 13218 13221 2730 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13224 13227 13230 13233 13236 13239 13242 13245 13248 13251 2740 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13254 13257 13260 13263 13266 13269 13272 13275 13278 13281 2750 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13284 13287 13290 13293 13296 13299 13302 13305 13308 13311 2760 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13314 13317 13320 13323 13326 13329 13332 13335 13338 13341 2770 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13344 13347 13350 13353 13356 13359 13362 13365 13368 13371 2780 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13374 13377 13380 13383 13386 13389 13392 13395 13398 13401 2790 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13404 13407 13410 13413 13416 13419 13422 13425 13428 13431 2800 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13434 13437 13440 13443 13446 13449 13452 13455 13458 13461 2810 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13464 13467 13470 13473 13476 13479 13482 13485 13488 13491 2820 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13494 13497 13500 13503 13506 13509 13512 13515 13518 13521 2830 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13524 13527 13530 13533 13536 13539 13542 13545 13548 13551 2840 atoms in group subset_O(H2O)_1 group subset_O(H2O)_1 id 13554 13557 13560 13563 13566 13569 13572 13575 13578 13581 2850 atoms in group subset_O(H2O)_1 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12335 12337 12338 4870 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12340 12341 12343 12344 12346 12347 12349 12350 12352 12353 4880 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12355 12356 12358 12359 12361 12362 12364 12365 12367 12368 4890 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12370 12371 12373 12374 12376 12377 12379 12380 12382 12383 4900 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12385 12386 12388 12389 12391 12392 12394 12395 12397 12398 4910 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12400 12401 12403 12404 12406 12407 12409 12410 12412 12413 4920 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12415 12416 12418 12419 12421 12422 12424 12425 12427 12428 4930 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12430 12431 12433 12434 12436 12437 12439 12440 12442 12443 4940 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12445 12446 12448 12449 12451 12452 12454 12455 12457 12458 4950 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12460 12461 12463 12464 12466 12467 12469 12470 12472 12473 4960 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12475 12476 12478 12479 12481 12482 12484 12485 12487 12488 4970 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12490 12491 12493 12494 12496 12497 12499 12500 12502 12503 4980 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12505 12506 12508 12509 12511 12512 12514 12515 12517 12518 4990 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12520 12521 12523 12524 12526 12527 12529 12530 12532 12533 5000 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12535 12536 12538 12539 12541 12542 12544 12545 12547 12548 5010 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12550 12551 12553 12554 12556 12557 12559 12560 12562 12563 5020 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 12565 12566 12568 12569 12571 12572 12574 12575 12577 12578 5030 atoms in group subset_H(H2O)_1 group 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group subset_H(H2O)_1 group subset_H(H2O)_1 id 13450 13451 13453 13454 13456 13457 13459 13460 13462 13463 5620 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13465 13466 13468 13469 13471 13472 13474 13475 13477 13478 5630 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13480 13481 13483 13484 13486 13487 13489 13490 13492 13493 5640 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13495 13496 13498 13499 13501 13502 13504 13505 13507 13508 5650 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13510 13511 13513 13514 13516 13517 13519 13520 13522 13523 5660 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13525 13526 13528 13529 13531 13532 13534 13535 13537 13538 5670 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13540 13541 13543 13544 13546 13547 13549 13550 13552 13553 5680 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13555 13556 13558 13559 13561 13562 13564 13565 13567 13568 5690 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13570 13571 13573 13574 13576 13577 13579 13580 13582 13583 5700 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13585 13586 13588 13589 13591 13592 13594 13595 13597 13598 5710 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13600 13601 13603 13604 13606 13607 13609 13610 13612 13613 5720 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13615 13616 13618 13619 13621 13622 13624 13625 13627 13628 5730 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13630 13631 13633 13634 13636 13637 13639 13640 13642 13643 5740 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13645 13646 13648 13649 13651 13652 13654 13655 13657 13658 5750 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13660 13661 13663 13664 13666 13667 13669 13670 13672 13673 5760 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13675 13676 13678 13679 13681 13682 13684 13685 13687 13688 5770 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13690 13691 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13820 13822 13823 5860 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13825 13826 13828 13829 13831 13832 13834 13835 13837 13838 5870 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13840 13841 13843 13844 13846 13847 13849 13850 13852 13853 5880 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13855 13856 13858 13859 13861 13862 13864 13865 13867 13868 5890 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13870 13871 13873 13874 13876 13877 13879 13880 13882 13883 5900 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13885 13886 13888 13889 13891 13892 13894 13895 13897 13898 5910 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13900 13901 13903 13904 13906 13907 13909 13910 13912 13913 5920 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13915 13916 13918 13919 13921 13922 13924 13925 13927 13928 5930 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13930 13931 13933 13934 13936 13937 13939 13940 13942 13943 5940 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13945 13946 13948 13949 13951 13952 13954 13955 13957 13958 5950 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13960 13961 13963 13964 13966 13967 13969 13970 13972 13973 5960 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13975 13976 13978 13979 13981 13982 13984 13985 13987 13988 5970 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 13990 13991 13993 13994 13996 13997 13999 14000 14002 14003 5980 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 14005 14006 14008 14009 14011 14012 14014 14015 14017 14018 5990 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 14020 14021 14023 14024 14026 14027 14029 14030 14032 14033 6000 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 14035 14036 14038 14039 14041 14042 14044 14045 14047 14048 6010 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 14050 14051 14053 14054 14056 14057 14059 14060 14062 14063 6020 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 14065 14066 14068 14069 14071 14072 14074 14075 14077 14078 6030 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 14080 14081 14083 14084 14086 14087 14089 14090 14092 14093 6040 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 14095 14096 14098 14099 14101 14102 14104 14105 14107 14108 6050 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 14110 14111 14113 14114 14116 14117 14119 14120 14122 14123 6060 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 14125 14126 14128 14129 14131 14132 14134 14135 14137 14138 6070 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 14140 14141 14143 14144 14146 14147 14149 14150 14152 14153 6080 atoms in group subset_H(H2O)_1 group subset_H(H2O)_1 id 14155 14156 14158 14159 14161 14162 14164 14165 14167 14168 6090 atoms in group subset_H(H2O)_1 group subset_Na_1 id 14169 14170 14171 3 atoms in group subset_Na_1 group subset_Layer1 id 4161 4162 4163 4164 4165 4166 4167 4168 4169 4170 10 atoms in group subset_Layer1 group subset_Layer1 id 4171 4172 4173 4174 4175 4176 4177 4178 4179 4180 20 atoms in group subset_Layer1 group subset_Layer1 id 4181 4182 4183 4184 4185 4186 4187 4188 4189 4190 30 atoms in group subset_Layer1 group subset_Layer1 id 4191 4192 4193 4194 4195 4196 4197 4198 4199 4200 40 atoms in group subset_Layer1 group subset_Layer1 id 4201 4202 4203 4204 4205 4206 4207 4208 4209 4210 50 atoms in group subset_Layer1 group subset_Layer1 id 4211 4212 4213 4214 4215 4216 4217 4218 4219 4220 60 atoms in group subset_Layer1 group subset_Layer1 id 4221 4222 4223 4224 4225 4226 4227 4228 4229 4230 70 atoms in group subset_Layer1 group subset_Layer1 id 4231 4232 4233 4234 4235 4236 4237 4238 4239 4240 80 atoms in group subset_Layer1 group subset_Layer1 id 4241 4242 4243 4244 4245 4246 4247 4248 4249 4250 90 atoms in group subset_Layer1 group subset_Layer1 id 4251 4252 4253 4254 4255 4256 4257 4258 4259 4260 100 atoms in group subset_Layer1 group subset_Layer1 id 4261 4262 4263 4264 4265 4266 4267 4268 4269 4270 110 atoms in group subset_Layer1 group subset_Layer1 id 4271 4272 4273 4274 4275 4276 4277 4278 4279 4280 120 atoms in group subset_Layer1 group subset_Layer1 id 4281 4282 4283 4284 4285 4286 4287 4288 4289 4290 130 atoms in group subset_Layer1 group subset_Layer1 id 4291 4292 4293 4294 4295 4296 4297 4298 4299 4300 140 atoms in group subset_Layer1 group subset_Layer1 id 4301 4302 4303 4304 4305 4306 4307 4308 4309 4310 150 atoms in group subset_Layer1 group subset_Layer1 id 4311 4312 4313 4314 4315 4316 4317 4318 4319 4320 160 atoms in group subset_Layer1 group subset_Layer1 id 4321 4322 4323 4324 4325 4326 4327 4328 4329 4330 170 atoms in group subset_Layer1 group subset_Layer1 id 4331 4332 4333 4334 4335 4336 4337 4338 4339 4340 180 atoms in group subset_Layer1 group subset_Layer1 id 4341 4342 4343 4344 4345 4346 4347 4348 4349 4350 190 atoms in group subset_Layer1 group subset_Layer1 id 4351 4352 4353 4354 4355 4356 4357 4358 4359 4360 200 atoms in group subset_Layer1 group subset_Layer1 id 4361 4362 4363 4364 4365 4366 4367 4368 4369 4370 210 atoms in group subset_Layer1 group subset_Layer1 id 4371 4372 4373 4374 4375 4376 4377 4378 4379 4380 220 atoms in group subset_Layer1 group subset_Layer1 id 4381 4382 4383 4384 4385 4386 4387 4388 4389 4390 230 atoms in group subset_Layer1 group subset_Layer1 id 4391 4392 4393 4394 4395 4396 4397 4398 4399 4400 240 atoms in group subset_Layer1 group subset_Layer1 id 4401 4402 4403 4404 4405 4406 4407 4408 4409 4410 250 atoms in group subset_Layer1 group subset_Layer1 id 4411 4412 4413 4414 4415 4416 4417 4418 4419 4420 260 atoms in group subset_Layer1 group subset_Layer1 id 4421 4422 4423 4424 4425 4426 4427 4428 4429 4430 270 atoms in group subset_Layer1 group subset_Layer1 id 4431 4432 4433 4434 4435 4436 4437 4438 4439 4440 280 atoms in group subset_Layer1 group subset_Layer1 id 4441 4442 4443 4444 4445 4446 4447 4448 4449 4450 290 atoms in group subset_Layer1 group subset_Layer1 id 4451 4452 4453 4454 4455 4456 4457 4458 4459 4460 300 atoms in group subset_Layer1 group subset_Layer1 id 4461 4462 4463 4464 4465 4466 4467 4468 4469 4470 310 atoms in group subset_Layer1 group subset_Layer1 id 4471 4472 4473 4474 4475 4476 4477 4478 4479 4480 320 atoms in group subset_Layer1 group subset_Layer1 id 4481 4482 4483 4484 4485 4486 4487 4488 4489 4490 330 atoms in group subset_Layer1 group subset_Layer1 id 4491 4492 4493 4494 4495 4496 4497 4498 4499 4500 340 atoms in group subset_Layer1 group subset_Layer1 id 4501 4502 4503 4504 4505 4506 4507 4508 4509 4510 350 atoms in group subset_Layer1 group subset_Layer1 id 4511 4512 4513 4514 4515 4516 4517 4518 4519 4520 360 atoms in group subset_Layer1 group subset_Layer1 id 4521 4522 4523 4524 4525 4526 4527 4528 4529 4530 370 atoms in group subset_Layer1 group subset_Layer1 id 4531 4532 4533 4534 4535 4536 4537 4538 4539 4540 380 atoms in group subset_Layer1 group subset_Layer1 id 4541 4542 4543 4544 4545 4546 4547 4548 4549 4550 390 atoms in group subset_Layer1 group subset_Layer1 id 4551 4552 4553 4554 4555 4556 4557 4558 4559 4560 400 atoms in group subset_Layer1 group subset_Layer1 id 4561 4562 4563 4564 4565 4566 4567 4568 4569 4570 410 atoms in group subset_Layer1 group subset_Layer1 id 4571 4572 4573 4574 4575 4576 4577 4578 4579 4580 420 atoms in group subset_Layer1 group subset_Layer1 id 4581 4582 4583 4584 4585 4586 4587 4588 4589 4590 430 atoms in group subset_Layer1 group subset_Layer1 id 4591 4592 4593 4594 4595 4596 4597 4598 4599 4600 440 atoms in group subset_Layer1 group subset_Layer1 id 4601 4602 4603 4604 4605 4606 4607 4608 4609 4610 450 atoms in group subset_Layer1 group subset_Layer1 id 4611 4612 4613 4614 4615 4616 4617 4618 4619 4620 460 atoms in group subset_Layer1 group subset_Layer1 id 4621 4622 4623 4624 4625 4626 4627 4628 4629 4630 470 atoms in group subset_Layer1 group subset_Layer1 id 4631 4632 4633 4634 4635 4636 4637 4638 4639 4640 480 atoms in group subset_Layer1 group subset_Layer1 id 4641 4642 4643 4644 4645 4646 4647 4648 4649 4650 490 atoms in group subset_Layer1 group subset_Layer1 id 4651 4652 4653 4654 4655 4656 4657 4658 4659 4660 500 atoms in group subset_Layer1 group subset_Layer1 id 4661 4662 4663 4664 4665 4666 4667 4668 4669 4670 510 atoms in group subset_Layer1 group subset_Layer1 id 4671 4672 4673 4674 4675 4676 4677 4678 4679 4680 520 atoms in group subset_Layer1 group subset_Layer1 id 4681 4682 4683 4684 4685 4686 4687 4688 4689 4690 530 atoms in group subset_Layer1 group subset_Layer1 id 4691 4692 4693 4694 4695 4696 4697 4698 4699 4700 540 atoms in group subset_Layer1 group subset_Layer1 id 4701 4702 4703 4704 4705 4706 4707 4708 4709 4710 550 atoms in group subset_Layer1 group subset_Layer1 id 4711 4712 4713 4714 4715 4716 4717 4718 4719 4720 560 atoms in group subset_Layer1 group subset_Layer1 id 4721 4722 4723 4724 4725 4726 4727 4728 4729 4730 570 atoms in group subset_Layer1 group subset_Layer1 id 4731 4732 4733 4734 4735 4736 4737 4738 4739 4740 580 atoms in group subset_Layer1 group subset_Layer1 id 4741 4742 4743 4744 4745 4746 4747 4748 4749 4750 590 atoms in group subset_Layer1 group subset_Layer1 id 4751 4752 4753 4754 4755 4756 4757 4758 4759 4760 600 atoms in group subset_Layer1 group subset_Layer1 id 4761 4762 4763 4764 4765 4766 4767 4768 4769 4770 610 atoms in group subset_Layer1 group subset_Layer1 id 4771 4772 4773 4774 4775 4776 4777 4778 4779 4780 620 atoms in group subset_Layer1 group subset_Layer1 id 4781 4782 4783 4784 4785 4786 4787 4788 4789 4790 630 atoms in group subset_Layer1 group subset_Layer1 id 4791 4792 4793 4794 4795 4796 4797 4798 4799 4800 640 atoms in group subset_Layer1 group subset_Layer1 id 4801 4802 4803 4804 4805 4806 4807 4808 4809 4810 650 atoms in group subset_Layer1 group subset_Layer1 id 4811 4812 4813 4814 4815 4816 4817 4818 4819 4820 660 atoms in group subset_Layer1 group subset_Layer1 id 4821 4822 4823 4824 4825 4826 4827 4828 4829 4830 670 atoms in group subset_Layer1 group subset_Layer1 id 4831 4832 4833 4834 4835 4836 4837 4838 4839 4840 680 atoms in group subset_Layer1 group subset_Layer1 id 4841 4842 4843 4844 4845 4846 4847 4848 4849 4850 690 atoms in group subset_Layer1 group subset_Layer1 id 4851 4852 4853 4854 4855 4856 4857 4858 4859 4860 700 atoms in group subset_Layer1 group subset_Layer1 id 4861 4862 4863 4864 4865 4866 4867 4868 4869 4870 710 atoms in group subset_Layer1 group subset_Layer1 id 4871 4872 4873 4874 4875 4876 4877 4878 4879 4880 720 atoms in group subset_Layer1 group subset_Layer1 id 4881 4882 4883 4884 4885 4886 4887 4888 4889 4890 730 atoms in group subset_Layer1 group subset_Layer1 id 4891 4892 4893 4894 4895 4896 4897 4898 4899 4900 740 atoms in group subset_Layer1 group subset_Layer1 id 4901 4902 4903 4904 4905 4906 4907 4908 4909 4910 750 atoms in group subset_Layer1 group subset_Layer1 id 4911 4912 4913 4914 4915 4916 4917 4918 4919 4920 760 atoms in group subset_Layer1 group subset_Layer1 id 4921 4922 4923 4924 4925 4926 4927 4928 4929 4930 770 atoms in group subset_Layer1 group subset_Layer1 id 4931 4932 4933 4934 4935 4936 4937 4938 4939 4940 780 atoms in group subset_Layer1 group subset_Layer1 id 4941 4942 4943 4944 4945 4946 4947 4948 4949 4950 790 atoms in group subset_Layer1 group subset_Layer1 id 4951 4952 4953 4954 4955 4956 4957 4958 4959 4960 800 atoms in group subset_Layer1 group subset_Layer1 id 4961 4962 4963 4964 4965 4966 4967 4968 4969 4970 810 atoms in group subset_Layer1 group subset_Layer1 id 4971 4972 4973 4974 4975 4976 4977 4978 4979 4980 820 atoms in group subset_Layer1 group subset_Layer1 id 4981 4982 4983 4984 4985 4986 4987 4988 4989 4990 830 atoms in group subset_Layer1 group subset_Layer1 id 4991 4992 4993 4994 4995 4996 4997 4998 4999 5000 840 atoms in group subset_Layer1 group subset_Layer1 id 5001 5002 5003 5004 5005 5006 5007 5008 5009 5010 850 atoms in group subset_Layer1 group subset_Layer1 id 5011 5012 5013 5014 5015 5016 5017 5018 5019 5020 860 atoms in group subset_Layer1 group subset_Layer1 id 5021 5022 5023 5024 5025 5026 5027 5028 5029 5030 870 atoms in group subset_Layer1 group subset_Layer1 id 5031 5032 5033 5034 5035 5036 5037 5038 5039 5040 880 atoms in group subset_Layer1 group subset_Layer1 id 5041 5042 5043 5044 5045 5046 5047 5048 5049 5050 890 atoms in group subset_Layer1 group subset_Layer1 id 5051 5052 5053 5054 5055 5056 5057 5058 5059 5060 900 atoms in group subset_Layer1 group subset_Layer1 id 5061 5062 5063 5064 5065 5066 5067 5068 5069 5070 910 atoms in group subset_Layer1 group subset_Layer1 id 5071 5072 5073 5074 5075 5076 5077 5078 5079 5080 920 atoms in group subset_Layer1 group subset_Layer1 id 5081 5082 5083 5084 5085 5086 5087 5088 5089 5090 930 atoms in group subset_Layer1 group subset_Layer1 id 5091 5092 5093 5094 5095 5096 5097 5098 5099 5100 940 atoms in group subset_Layer1 group subset_Layer1 id 5101 5102 5103 5104 5105 5106 5107 5108 5109 5110 950 atoms in group subset_Layer1 group subset_Layer1 id 5111 5112 5113 5114 5115 5116 5117 5118 5119 5120 960 atoms in group subset_Layer1 group subset_Layer1 id 5121 5122 5123 5124 5125 5126 5127 5128 5129 5130 970 atoms in group subset_Layer1 group subset_Layer1 id 5131 5132 5133 5134 5135 5136 5137 5138 5139 5140 980 atoms in group subset_Layer1 group subset_Layer1 id 5141 5142 5143 5144 5145 5146 5147 5148 5149 5150 990 atoms in group subset_Layer1 group subset_Layer1 id 5151 5152 5153 5154 5155 5156 5157 5158 5159 5160 1000 atoms in group subset_Layer1 group subset_Layer1 id 5161 5162 5163 5164 5165 5166 5167 5168 5169 5170 1010 atoms in group subset_Layer1 group subset_Layer1 id 5171 5172 5173 5174 5175 5176 5177 5178 5179 5180 1020 atoms in group subset_Layer1 group subset_Layer1 id 5181 5182 5183 5184 5185 5186 5187 5188 5189 5190 1030 atoms in group subset_Layer1 group subset_Layer1 id 5191 5192 5193 5194 5195 5196 5197 5198 5199 5200 1040 atoms in group subset_Layer1 group subset_Layer1 id 5201 5202 5203 5204 5205 5206 5207 5208 5209 5210 1050 atoms in group subset_Layer1 group subset_Layer1 id 5211 5212 5213 5214 5215 5216 5217 5218 5219 5220 1060 atoms in group subset_Layer1 group subset_Layer1 id 5221 5222 5223 5224 5225 5226 5227 5228 5229 5230 1070 atoms in group subset_Layer1 group subset_Layer1 id 5231 5232 5233 5234 5235 5236 5237 5238 5239 5240 1080 atoms in group subset_Layer1 group subset_Layer1 id 5241 5242 5243 5244 5245 5246 5247 5248 5249 5250 1090 atoms in group subset_Layer1 group subset_Layer1 id 5251 5252 5253 5254 5255 5256 5257 5258 5259 5260 1100 atoms in group subset_Layer1 group subset_Layer1 id 5261 5262 5263 5264 5265 5266 5267 5268 5269 5270 1110 atoms in group subset_Layer1 group subset_Layer1 id 5271 5272 5273 5274 5275 5276 5277 5278 5279 5280 1120 atoms in group subset_Layer1 group subset_Layer1 id 5281 5282 5283 5284 5285 5286 5287 5288 5289 5290 1130 atoms in group subset_Layer1 group subset_Layer1 id 5291 5292 5293 5294 5295 5296 5297 5298 5299 5300 1140 atoms in group subset_Layer1 group subset_Layer1 id 5301 5302 5303 5304 5305 5306 5307 5308 5309 5310 1150 atoms in group subset_Layer1 group subset_Layer1 id 5311 5312 5313 5314 5315 5316 5317 5318 5319 5320 1160 atoms in group subset_Layer1 group subset_Layer1 id 5321 5322 5323 5324 5325 5326 5327 5328 5329 5330 1170 atoms in group subset_Layer1 group subset_Layer1 id 5331 5332 5333 5334 5335 5336 5337 5338 5339 5340 1180 atoms in group subset_Layer1 group subset_Layer1 id 5341 5342 5343 5344 5345 5346 5347 5348 5349 5350 1190 atoms in group subset_Layer1 group subset_Layer1 id 5351 5352 5353 5354 5355 5356 5357 5358 5359 5360 1200 atoms in group subset_Layer1 group subset_Layer1 id 5361 5362 5363 5364 5365 5366 5367 5368 5369 5370 1210 atoms in group subset_Layer1 group subset_Layer1 id 5371 5372 5373 5374 5375 5376 5377 5378 5379 5380 1220 atoms in group subset_Layer1 group subset_Layer1 id 5381 5382 5383 5384 5385 5386 5387 5388 5389 5390 1230 atoms in group subset_Layer1 group subset_Layer1 id 5391 5392 5393 5394 5395 5396 5397 5398 5399 5400 1240 atoms in group subset_Layer1 group subset_Layer1 id 5401 5402 5403 5404 5405 5406 5407 5408 5409 5410 1250 atoms in group subset_Layer1 group subset_Layer1 id 5411 5412 5413 5414 5415 5416 5417 5418 5419 5420 1260 atoms in group subset_Layer1 group subset_Layer1 id 5421 5422 5423 5424 5425 5426 5427 5428 5429 5430 1270 atoms in group subset_Layer1 group subset_Layer1 id 5431 5432 5433 5434 5435 5436 5437 5438 5439 5440 1280 atoms in group subset_Layer1 group subset_Layer1 id 5441 5442 5443 5444 5445 5446 5447 5448 5449 5450 1290 atoms in group subset_Layer1 group subset_Layer1 id 5451 5452 5453 5454 5455 5456 5457 5458 5459 5460 1300 atoms in group subset_Layer1 group subset_Layer1 id 5461 5462 5463 5464 5465 5466 5467 5468 5469 5470 1310 atoms in group subset_Layer1 group subset_Layer1 id 5471 5472 5473 5474 5475 5476 5477 5478 5479 5480 1320 atoms in group subset_Layer1 group subset_Layer1 id 5481 5482 5483 5484 5485 5486 5487 5488 5489 5490 1330 atoms in group subset_Layer1 group subset_Layer1 id 5491 5492 5493 5494 5495 5496 5497 5498 5499 5500 1340 atoms in group subset_Layer1 group subset_Layer1 id 5501 5502 5503 5504 5505 5506 5507 5508 5509 5510 1350 atoms in group subset_Layer1 group subset_Layer1 id 5511 5512 5513 5514 5515 5516 5517 5518 5519 5520 1360 atoms in group subset_Layer1 group subset_Layer1 id 5521 5522 5523 5524 5525 5526 5527 5528 5529 5530 1370 atoms in group subset_Layer1 group subset_Layer1 id 5531 5532 5533 5534 5535 5536 5537 5538 5539 5540 1380 atoms in group subset_Layer1 group subset_Layer1 id 5541 5542 5543 5544 5545 5546 5547 5548 5549 5550 1390 atoms in group subset_Layer1 group subset_Layer1 id 5551 5552 5553 5554 5555 5556 5557 5558 5559 5560 1400 atoms in group subset_Layer1 group subset_Layer1 id 5561 5562 5563 5564 5565 5566 5567 5568 5569 5570 1410 atoms in group subset_Layer1 group subset_Layer1 id 5571 5572 5573 5574 5575 5576 5577 5578 5579 5580 1420 atoms in group subset_Layer1 group subset_Layer1 id 5581 5582 5583 5584 5585 5586 5587 5588 5589 5590 1430 atoms in group subset_Layer1 group subset_Layer1 id 5591 5592 5593 5594 5595 5596 5597 5598 5599 5600 1440 atoms in group subset_Layer1 group subset_Layer1 id 5601 5602 5603 5604 5605 5606 5607 5608 5609 5610 1450 atoms in group subset_Layer1 group subset_Layer1 id 5611 5612 5613 5614 5615 5616 5617 5618 5619 5620 1460 atoms in group subset_Layer1 group subset_Layer1 id 5621 5622 5623 5624 5625 5626 5627 5628 5629 5630 1470 atoms in group subset_Layer1 group subset_Layer1 id 5631 5632 5633 5634 5635 5636 5637 5638 5639 5640 1480 atoms in group subset_Layer1 group subset_Layer1 id 5641 5642 5643 5644 5645 5646 5647 5648 5649 5650 1490 atoms in group subset_Layer1 group subset_Layer1 id 5651 5652 5653 5654 5655 5656 5657 5658 5659 5660 1500 atoms in group subset_Layer1 group subset_Layer1 id 5661 5662 5663 5664 5665 5666 5667 5668 5669 5670 1510 atoms in group subset_Layer1 group subset_Layer1 id 5671 5672 5673 5674 5675 5676 5677 5678 5679 5680 1520 atoms in group subset_Layer1 group subset_Layer1 id 5681 5682 5683 5684 5685 5686 5687 5688 5689 5690 1530 atoms in group subset_Layer1 group subset_Layer1 id 5691 5692 5693 5694 5695 5696 5697 5698 5699 5700 1540 atoms in group subset_Layer1 group subset_Layer1 id 5701 5702 5703 5704 5705 5706 5707 5708 5709 5710 1550 atoms in group subset_Layer1 group subset_Layer1 id 5711 5712 5713 5714 5715 5716 5717 5718 5719 5720 1560 atoms in group subset_Layer1 group subset_Layer1 id 5721 5722 5723 5724 5725 5726 5727 5728 5729 5730 1570 atoms in group subset_Layer1 group subset_Layer1 id 5731 5732 5733 5734 5735 5736 5737 5738 5739 5740 1580 atoms in group subset_Layer1 group subset_Layer1 id 5741 5742 5743 5744 5745 5746 5747 5748 5749 5750 1590 atoms in group subset_Layer1 group subset_Layer1 id 5751 5752 5753 5754 5755 5756 5757 5758 5759 5760 1600 atoms in group subset_Layer1 group subset_Layer1 id 5761 5762 5763 5764 5765 5766 5767 5768 5769 5770 1610 atoms in group subset_Layer1 group subset_Layer1 id 5771 5772 5773 5774 5775 5776 5777 5778 5779 5780 1620 atoms in group subset_Layer1 group subset_Layer1 id 5781 5782 5783 5784 5785 5786 5787 5788 5789 5790 1630 atoms in group subset_Layer1 group subset_Layer1 id 5791 5792 5793 5794 5795 5796 5797 5798 5799 5800 1640 atoms in group subset_Layer1 group subset_Layer1 id 5801 5802 5803 5804 5805 5806 5807 5808 5809 5810 1650 atoms in group subset_Layer1 group subset_Layer1 id 5811 5812 5813 5814 5815 5816 5817 5818 5819 5820 1660 atoms in group subset_Layer1 group subset_Layer1 id 5821 5822 5823 5824 5825 5826 5827 5828 5829 5830 1670 atoms in group subset_Layer1 group subset_Layer1 id 5831 5832 5833 5834 5835 5836 5837 5838 5839 5840 1680 atoms in group subset_Layer1 group subset_Layer1 id 5841 5842 5843 5844 5845 5846 5847 5848 5849 5850 1690 atoms in group subset_Layer1 group subset_Layer1 id 5851 5852 5853 5854 5855 5856 5857 5858 5859 5860 1700 atoms in group subset_Layer1 group subset_Layer1 id 5861 5862 5863 5864 5865 5866 5867 5868 5869 5870 1710 atoms in group subset_Layer1 group subset_Layer1 id 5871 5872 5873 5874 5875 5876 5877 5878 5879 5880 1720 atoms in group subset_Layer1 group subset_Layer1 id 5881 5882 5883 5884 5885 5886 5887 5888 5889 5890 1730 atoms in group subset_Layer1 group subset_Layer1 id 5891 5892 5893 5894 5895 5896 5897 5898 5899 5900 1740 atoms in group subset_Layer1 group subset_Layer1 id 5901 5902 5903 5904 5905 5906 5907 5908 5909 5910 1750 atoms in group subset_Layer1 group subset_Layer1 id 5911 5912 5913 5914 5915 5916 5917 5918 5919 5920 1760 atoms in group subset_Layer1 group subset_Layer1 id 5921 5922 5923 5924 5925 5926 5927 5928 5929 5930 1770 atoms in group subset_Layer1 group subset_Layer1 id 5931 5932 5933 5934 5935 5936 5937 5938 5939 5940 1780 atoms in group subset_Layer1 group subset_Layer1 id 5941 5942 5943 5944 5945 5946 5947 5948 5949 5950 1790 atoms in group subset_Layer1 group subset_Layer1 id 5951 5952 5953 5954 5955 5956 5957 5958 5959 5960 1800 atoms in group subset_Layer1 group subset_Layer1 id 5961 5962 5963 5964 5965 5966 5967 5968 5969 5970 1810 atoms in group subset_Layer1 group subset_Layer1 id 5971 5972 5973 5974 5975 5976 5977 5978 5979 5980 1820 atoms in group subset_Layer1 group subset_Layer1 id 5981 5982 5983 5984 5985 5986 5987 5988 5989 5990 1830 atoms in group subset_Layer1 group subset_Layer1 id 5991 5992 5993 5994 5995 5996 5997 5998 5999 6000 1840 atoms in group subset_Layer1 group subset_Layer1 id 6001 6002 6003 6004 6005 6006 6007 6008 6009 6010 1850 atoms in group subset_Layer1 group subset_Layer1 id 6011 6012 6013 6014 6015 6016 6017 6018 6019 6020 1860 atoms in group subset_Layer1 group subset_Layer1 id 6021 6022 6023 6024 6025 6026 6027 6028 6029 6030 1870 atoms in group subset_Layer1 group subset_Layer1 id 6031 6032 6033 6034 6035 6036 6037 6038 6039 6040 1880 atoms in group subset_Layer1 group subset_Layer1 id 6041 6042 6043 6044 6045 6046 6047 6048 6049 6050 1890 atoms in group subset_Layer1 group subset_Layer1 id 6051 6052 6053 6054 6055 6056 6057 6058 6059 6060 1900 atoms in group subset_Layer1 group subset_Layer1 id 6061 6062 6063 6064 6065 6066 6067 6068 6069 6070 1910 atoms in group subset_Layer1 group subset_Layer1 id 6071 6072 6073 6074 6075 6076 6077 6078 6079 6080 1920 atoms in group subset_Layer1 group subset_Layer1 id 6081 6082 6083 6084 6085 6086 6087 6088 6089 6090 1930 atoms in group subset_Layer1 group subset_Layer1 id 6091 6092 6093 6094 6095 6096 6097 6098 6099 6100 1940 atoms in group subset_Layer1 group subset_Layer1 id 6101 6102 6103 6104 6105 6106 6107 6108 6109 6110 1950 atoms in group subset_Layer1 group subset_Layer1 id 6111 6112 6113 6114 6115 6116 6117 6118 6119 6120 1960 atoms in group subset_Layer1 group subset_Layer1 id 6121 6122 6123 6124 6125 6126 6127 6128 6129 6130 1970 atoms in group subset_Layer1 group subset_Layer1 id 6131 6132 6133 6134 6135 6136 6137 6138 6139 6140 1980 atoms in group subset_Layer1 group subset_Layer1 id 6141 6142 6143 6144 6145 6146 6147 6148 6149 6150 1990 atoms in group subset_Layer1 group subset_Layer1 id 6151 6152 6153 6154 6155 6156 6157 6158 6159 6160 2000 atoms in group subset_Layer1 group subset_Layer1 id 6161 6162 6163 6164 6165 6166 6167 6168 6169 6170 2010 atoms in group subset_Layer1 group subset_Layer1 id 6171 6172 6173 6174 6175 6176 6177 6178 6179 6180 2020 atoms in group subset_Layer1 group subset_Layer1 id 6181 6182 6183 6184 6185 6186 6187 6188 6189 6190 2030 atoms in group subset_Layer1 group subset_Layer1 id 6191 6192 6193 6194 6195 6196 6197 6198 6199 6200 2040 atoms in group subset_Layer1 group subset_Layer1 id 6201 6202 6203 6204 6205 6206 6207 6208 6209 6210 2050 atoms in group subset_Layer1 group subset_Layer1 id 6211 6212 6213 6214 6215 6216 6217 6218 6219 6220 2060 atoms in group subset_Layer1 group subset_Layer1 id 6221 6222 6223 6224 6225 6226 6227 6228 6229 6230 2070 atoms in group subset_Layer1 group subset_Layer1 id 6231 6232 6233 6234 6235 6236 6237 6238 6239 6240 2080 atoms in group subset_Layer1 group subset_Layer1 id 6241 6242 6243 6244 6245 6246 6247 6248 6249 6250 2090 atoms in group subset_Layer1 group subset_Layer1 id 6251 6252 6253 6254 6255 6256 6257 6258 6259 6260 2100 atoms in group subset_Layer1 group subset_Layer1 id 6261 6262 6263 6264 6265 6266 6267 6268 6269 6270 2110 atoms in group subset_Layer1 group subset_Layer1 id 6271 6272 6273 6274 6275 6276 6277 6278 6279 6280 2120 atoms in group subset_Layer1 group subset_Layer1 id 6281 6282 6283 6284 6285 6286 6287 6288 6289 6290 2130 atoms in group subset_Layer1 group subset_Layer1 id 6291 6292 6293 6294 6295 6296 6297 6298 6299 6300 2140 atoms in group subset_Layer1 group subset_Layer1 id 6301 6302 6303 6304 6305 6306 6307 6308 6309 6310 2150 atoms in group subset_Layer1 group subset_Layer1 id 6311 6312 6313 6314 6315 6316 6317 6318 6319 6320 2160 atoms in group subset_Layer1 group subset_Layer1 id 6321 6322 6323 6324 6325 6326 6327 6328 6329 6330 2170 atoms in group subset_Layer1 group subset_Layer1 id 6331 6332 6333 6334 6335 6336 6337 6338 6339 6340 2180 atoms in group subset_Layer1 group subset_Layer1 id 6341 6342 6343 6344 6345 6346 6347 6348 6349 6350 2190 atoms in group subset_Layer1 group subset_Layer1 id 6351 6352 6353 6354 6355 6356 6357 6358 6359 6360 2200 atoms in group subset_Layer1 group subset_Layer1 id 6361 6362 6363 6364 6365 6366 6367 6368 6369 6370 2210 atoms in group subset_Layer1 group subset_Layer1 id 6371 6372 6373 6374 6375 6376 6377 6378 6379 6380 2220 atoms in group subset_Layer1 group subset_Layer1 id 6381 6382 6383 6384 6385 6386 6387 6388 6389 6390 2230 atoms in group subset_Layer1 group subset_Layer1 id 6391 6392 6393 6394 6395 6396 6397 6398 6399 6400 2240 atoms in group subset_Layer1 group subset_Layer1 id 6401 6402 6403 6404 6405 6406 6407 6408 6409 6410 2250 atoms in group subset_Layer1 group subset_Layer1 id 6411 6412 6413 6414 6415 6416 6417 6418 6419 6420 2260 atoms in group subset_Layer1 group subset_Layer1 id 6421 6422 6423 6424 6425 6426 6427 6428 6429 6430 2270 atoms in group subset_Layer1 group subset_Layer1 id 6431 6432 6433 6434 6435 6436 6437 6438 6439 6440 2280 atoms in group subset_Layer1 group subset_Layer1 id 6441 6442 6443 6444 6445 6446 6447 6448 6449 6450 2290 atoms in group subset_Layer1 group subset_Layer1 id 6451 6452 6453 6454 6455 6456 6457 6458 6459 6460 2300 atoms in group subset_Layer1 group subset_Layer1 id 6461 6462 6463 6464 6465 6466 6467 6468 6469 6470 2310 atoms in group subset_Layer1 group subset_Layer1 id 6471 6472 6473 6474 6475 6476 6477 6478 6479 6480 2320 atoms in group subset_Layer1 group subset_Layer1 id 6481 6482 6483 6484 6485 6486 6487 6488 6489 6490 2330 atoms in group subset_Layer1 group subset_Layer1 id 6491 6492 6493 6494 6495 6496 6497 6498 6499 6500 2340 atoms in group subset_Layer1 group subset_Layer1 id 6501 6502 6503 6504 6505 6506 6507 6508 6509 6510 2350 atoms in group subset_Layer1 group subset_Layer1 id 6511 6512 6513 6514 6515 6516 6517 6518 6519 6520 2360 atoms in group subset_Layer1 group subset_Layer1 id 6521 6522 6523 6524 6525 6526 6527 6528 6529 6530 2370 atoms in group subset_Layer1 group subset_Layer1 id 6531 6532 6533 6534 6535 6536 6537 6538 6539 6540 2380 atoms in group subset_Layer1 group subset_Layer1 id 6541 6542 6543 6544 6545 6546 6547 6548 6549 6550 2390 atoms in group subset_Layer1 group subset_Layer1 id 6551 6552 6553 6554 6555 6556 6557 6558 6559 6560 2400 atoms in group subset_Layer1 group subset_Layer1 id 6561 6562 6563 6564 6565 6566 6567 6568 6569 6570 2410 atoms in group subset_Layer1 group subset_Layer1 id 6571 6572 6573 6574 6575 6576 6577 6578 6579 6580 2420 atoms in group subset_Layer1 group subset_Layer1 id 6581 6582 6583 6584 6585 6586 6587 6588 6589 6590 2430 atoms in group subset_Layer1 group subset_Layer1 id 6591 6592 6593 6594 6595 6596 6597 6598 6599 6600 2440 atoms in group subset_Layer1 group subset_Layer1 id 6601 6602 6603 6604 6605 6606 6607 6608 6609 6610 2450 atoms in group subset_Layer1 group subset_Layer1 id 6611 6612 6613 6614 6615 6616 6617 6618 6619 6620 2460 atoms in group subset_Layer1 group subset_Layer1 id 6621 6622 6623 6624 6625 6626 6627 6628 6629 6630 2470 atoms in group subset_Layer1 group subset_Layer1 id 6631 6632 6633 6634 6635 6636 6637 6638 6639 6640 2480 atoms in group subset_Layer1 group subset_Layer1 id 6641 6642 6643 6644 6645 6646 6647 6648 6649 6650 2490 atoms in group subset_Layer1 group subset_Layer1 id 6651 6652 6653 6654 6655 6656 6657 6658 6659 6660 2500 atoms in group subset_Layer1 group subset_Layer1 id 6661 6662 6663 6664 6665 6666 6667 6668 6669 6670 2510 atoms in group subset_Layer1 group subset_Layer1 id 6671 6672 6673 6674 6675 6676 6677 6678 6679 6680 2520 atoms in group subset_Layer1 group subset_Layer1 id 6681 6682 6683 6684 6685 6686 6687 6688 6689 6690 2530 atoms in group subset_Layer1 group subset_Layer1 id 6691 6692 6693 6694 6695 6696 6697 6698 6699 6700 2540 atoms in group subset_Layer1 group subset_Layer1 id 6701 6702 6703 6704 6705 6706 6707 6708 6709 6710 2550 atoms in group subset_Layer1 group subset_Layer1 id 6711 6712 6713 6714 6715 6716 6717 6718 6719 6720 2560 atoms in group subset_Layer1 group subset_Layer1 id 6721 6722 6723 6724 6725 6726 6727 6728 6729 6730 2570 atoms in group subset_Layer1 group subset_Layer1 id 6731 6732 6733 6734 6735 6736 6737 6738 6739 6740 2580 atoms in group subset_Layer1 group subset_Layer1 id 6741 6742 6743 6744 6745 6746 6747 6748 6749 6750 2590 atoms in group subset_Layer1 group subset_Layer1 id 6751 6752 6753 6754 6755 6756 6757 6758 6759 6760 2600 atoms in group subset_Layer1 group subset_Layer1 id 6761 6762 6763 6764 6765 6766 6767 6768 6769 6770 2610 atoms in group subset_Layer1 group subset_Layer1 id 6771 6772 6773 6774 6775 6776 6777 6778 6779 6780 2620 atoms in group subset_Layer1 group subset_Layer1 id 6781 6782 6783 6784 6785 6786 6787 6788 6789 6790 2630 atoms in group subset_Layer1 group subset_Layer1 id 6791 6792 6793 6794 6795 6796 6797 6798 6799 6800 2640 atoms in group subset_Layer1 group subset_Layer1 id 6801 6802 6803 6804 6805 6806 6807 6808 6809 6810 2650 atoms in group subset_Layer1 group subset_Layer1 id 6811 6812 6813 6814 6815 6816 6817 6818 6819 6820 2660 atoms in group subset_Layer1 group subset_Layer1 id 6821 6822 6823 6824 6825 6826 6827 6828 6829 6830 2670 atoms in group subset_Layer1 group subset_Layer1 id 6831 6832 6833 6834 6835 6836 6837 6838 6839 6840 2680 atoms in group subset_Layer1 group subset_Layer1 id 6841 6842 6843 6844 6845 6846 6847 6848 6849 6850 2690 atoms in group subset_Layer1 group subset_Layer1 id 6851 6852 6853 6854 6855 6856 6857 6858 6859 6860 2700 atoms in group subset_Layer1 group subset_Layer1 id 6861 6862 6863 6864 6865 6866 6867 6868 6869 6870 2710 atoms in group subset_Layer1 group subset_Layer1 id 6871 6872 6873 6874 6875 6876 6877 6878 6879 6880 2720 atoms in group subset_Layer1 group subset_Layer1 id 6881 6882 6883 6884 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atoms in group subset_Layer1 group subset_Layer1 id 6981 6982 6983 6984 6985 6986 6987 6988 6989 6990 2830 atoms in group subset_Layer1 group subset_Layer1 id 6991 6992 6993 6994 6995 6996 6997 6998 6999 7000 2840 atoms in group subset_Layer1 group subset_Layer1 id 7001 7002 7003 7004 7005 7006 7007 7008 7009 7010 2850 atoms in group subset_Layer1 group subset_Layer1 id 7011 7012 7013 7014 7015 7016 7017 7018 7019 7020 2860 atoms in group subset_Layer1 group subset_Layer1 id 7021 7022 7023 7024 7025 7026 7027 7028 7029 7030 2870 atoms in group subset_Layer1 group subset_Layer1 id 7031 7032 7033 7034 7035 7036 7037 7038 7039 7040 2880 atoms in group subset_Layer1 group subset_Layer1 id 7041 7042 7043 7044 7045 7046 7047 7048 7049 7050 2890 atoms in group subset_Layer1 group subset_Layer1 id 7051 7052 7053 7054 7055 7056 7057 7058 7059 7060 2900 atoms in group subset_Layer1 group subset_Layer1 id 7061 7062 7063 7064 7065 7066 7067 7068 7069 7070 2910 atoms in group subset_Layer1 group subset_Layer1 id 7071 7072 7073 7074 7075 7076 7077 7078 7079 7080 2920 atoms in group subset_Layer1 group subset_Layer1 id 7081 7082 7083 7084 7085 7086 7087 7088 7089 7090 2930 atoms in group subset_Layer1 group subset_Layer1 id 7091 7092 7093 7094 7095 7096 7097 7098 7099 7100 2940 atoms in group subset_Layer1 group subset_Layer1 id 7101 7102 7103 7104 7105 7106 7107 7108 7109 7110 2950 atoms in group subset_Layer1 group subset_Layer1 id 7111 7112 7113 7114 7115 7116 7117 7118 7119 7120 2960 atoms in group subset_Layer1 group subset_Layer1 id 7121 7122 7123 7124 7125 7126 7127 7128 7129 7130 2970 atoms in group subset_Layer1 group subset_Layer1 id 7131 7132 7133 7134 7135 7136 7137 7138 7139 7140 2980 atoms in group subset_Layer1 group subset_Layer1 id 7141 7142 7143 7144 7145 7146 7147 7148 7149 7150 2990 atoms in group subset_Layer1 group subset_Layer1 id 7151 7152 7153 7154 7155 7156 7157 7158 7159 7160 3000 atoms in group subset_Layer1 group subset_Layer1 id 7161 7162 7163 7164 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atoms in group subset_Layer1 group subset_Layer1 id 7261 7262 7263 7264 7265 7266 7267 7268 7269 7270 3110 atoms in group subset_Layer1 group subset_Layer1 id 7271 7272 7273 7274 7275 7276 7277 7278 7279 7280 3120 atoms in group subset_Layer1 group subset_Layer1 id 7281 7282 7283 7284 7285 7286 7287 7288 7289 7290 3130 atoms in group subset_Layer1 group subset_Layer1 id 7291 7292 7293 7294 7295 7296 7297 7298 7299 7300 3140 atoms in group subset_Layer1 group subset_Layer1 id 7301 7302 7303 7304 7305 7306 7307 7308 7309 7310 3150 atoms in group subset_Layer1 group subset_Layer1 id 7311 7312 7313 7314 7315 7316 7317 7318 7319 7320 3160 atoms in group subset_Layer1 group subset_Layer1 id 7321 7322 7323 7324 7325 7326 7327 7328 7329 7330 3170 atoms in group subset_Layer1 group subset_Layer1 id 7331 7332 7333 7334 7335 7336 7337 7338 7339 7340 3180 atoms in group subset_Layer1 group subset_Layer1 id 7341 7342 7343 7344 7345 7346 7347 7348 7349 7350 3190 atoms in group subset_Layer1 group subset_Layer1 id 7351 7352 7353 7354 7355 7356 7357 7358 7359 7360 3200 atoms in group subset_Layer1 group subset_Layer1 id 7361 7362 7363 7364 7365 7366 7367 7368 7369 7370 3210 atoms in group subset_Layer1 group subset_Layer1 id 7371 7372 7373 7374 7375 7376 7377 7378 7379 7380 3220 atoms in group subset_Layer1 group subset_Layer1 id 7381 7382 7383 7384 7385 7386 7387 7388 7389 7390 3230 atoms in group subset_Layer1 group subset_Layer1 id 7391 7392 7393 7394 7395 7396 7397 7398 7399 7400 3240 atoms in group subset_Layer1 group subset_Layer1 id 7401 7402 7403 7404 7405 7406 7407 7408 7409 7410 3250 atoms in group subset_Layer1 group subset_Layer1 id 7411 7412 7413 7414 7415 7416 7417 7418 7419 7420 3260 atoms in group subset_Layer1 group subset_Layer1 id 7421 7422 7423 7424 7425 7426 7427 7428 7429 7430 3270 atoms in group subset_Layer1 group subset_Layer1 id 7431 7432 7433 7434 7435 7436 7437 7438 7439 7440 3280 atoms in group subset_Layer1 group subset_Layer1 id 7441 7442 7443 7444 7445 7446 7447 7448 7449 7450 3290 atoms in group subset_Layer1 group subset_Layer1 id 7451 7452 7453 7454 7455 7456 7457 7458 7459 7460 3300 atoms in group subset_Layer1 group subset_Layer1 id 7461 7462 7463 7464 7465 7466 7467 7468 7469 7470 3310 atoms in group subset_Layer1 group subset_Layer1 id 7471 7472 7473 7474 7475 7476 7477 7478 7479 7480 3320 atoms in group subset_Layer1 group subset_Layer1 id 7481 7482 7483 7484 7485 7486 7487 7488 7489 7490 3330 atoms in group subset_Layer1 group subset_Layer1 id 7491 7492 7493 7494 7495 7496 7497 7498 7499 7500 3340 atoms in group subset_Layer1 group subset_Layer1 id 7501 7502 7503 7504 7505 7506 7507 7508 7509 7510 3350 atoms in group subset_Layer1 group subset_Layer1 id 7511 7512 7513 7514 7515 7516 7517 7518 7519 7520 3360 atoms in group subset_Layer1 group subset_Layer1 id 7521 7522 7523 7524 7525 7526 7527 7528 7529 7530 3370 atoms in group subset_Layer1 group subset_Layer1 id 7531 7532 7533 7534 7535 7536 7537 7538 7539 7540 3380 atoms in group subset_Layer1 group subset_Layer1 id 7541 7542 7543 7544 7545 7546 7547 7548 7549 7550 3390 atoms in group subset_Layer1 group subset_Layer1 id 7551 7552 7553 7554 7555 7556 7557 7558 7559 7560 3400 atoms in group subset_Layer1 group subset_Layer1 id 7561 7562 7563 7564 7565 7566 7567 7568 7569 7570 3410 atoms in group subset_Layer1 group subset_Layer1 id 7571 7572 7573 7574 7575 7576 7577 7578 7579 7580 3420 atoms in group subset_Layer1 group subset_Layer1 id 7581 7582 7583 7584 7585 7586 7587 7588 7589 7590 3430 atoms in group subset_Layer1 group subset_Layer1 id 7591 7592 7593 7594 7595 7596 7597 7598 7599 7600 3440 atoms in group subset_Layer1 group subset_Layer1 id 7601 7602 7603 7604 7605 7606 7607 7608 7609 7610 3450 atoms in group subset_Layer1 group subset_Layer1 id 7611 7612 7613 7614 7615 7616 7617 7618 7619 7620 3460 atoms in group subset_Layer1 group subset_Layer1 id 7621 7622 7623 7624 7625 7626 7627 7628 7629 7630 3470 atoms in group subset_Layer1 group subset_Layer1 id 7631 7632 7633 7634 7635 7636 7637 7638 7639 7640 3480 atoms in group subset_Layer1 group subset_Layer1 id 7641 7642 7643 7644 7645 7646 7647 7648 7649 7650 3490 atoms in group subset_Layer1 group subset_Layer1 id 7651 7652 7653 7654 7655 7656 7657 7658 7659 7660 3500 atoms in group subset_Layer1 group subset_Layer1 id 7661 7662 7663 7664 7665 7666 7667 7668 7669 7670 3510 atoms in group subset_Layer1 group subset_Layer1 id 7671 7672 7673 7674 7675 7676 7677 7678 7679 7680 3520 atoms in group subset_Layer1 group subset_Layer1 id 7681 7682 7683 7684 7685 7686 7687 7688 7689 7690 3530 atoms in group subset_Layer1 group subset_Layer1 id 7691 7692 7693 7694 7695 7696 7697 7698 7699 7700 3540 atoms in group subset_Layer1 group subset_Layer1 id 7701 7702 7703 7704 7705 7706 7707 7708 7709 7710 3550 atoms in group subset_Layer1 group subset_Layer1 id 7711 7712 7713 7714 7715 7716 7717 7718 7719 7720 3560 atoms in group subset_Layer1 group subset_Layer1 id 7721 7722 7723 7724 7725 7726 7727 7728 7729 7730 3570 atoms in group subset_Layer1 group subset_Layer1 id 7731 7732 7733 7734 7735 7736 7737 7738 7739 7740 3580 atoms in group subset_Layer1 group subset_Layer1 id 7741 7742 7743 7744 7745 7746 7747 7748 7749 7750 3590 atoms in group subset_Layer1 group subset_Layer1 id 7751 7752 7753 7754 7755 7756 7757 7758 7759 7760 3600 atoms in group subset_Layer1 group subset_Layer1 id 7761 7762 7763 7764 7765 7766 7767 7768 7769 7770 3610 atoms in group subset_Layer1 group subset_Layer1 id 7771 7772 7773 7774 7775 7776 7777 7778 7779 7780 3620 atoms in group subset_Layer1 group subset_Layer1 id 7781 7782 7783 7784 7785 7786 7787 7788 7789 7790 3630 atoms in group subset_Layer1 group subset_Layer1 id 7791 7792 7793 7794 7795 7796 7797 7798 7799 7800 3640 atoms in group subset_Layer1 group subset_Layer1 id 7801 7802 7803 7804 7805 7806 7807 7808 7809 7810 3650 atoms in group subset_Layer1 group subset_Layer1 id 7811 7812 7813 7814 7815 7816 7817 7818 7819 7820 3660 atoms in group subset_Layer1 group subset_Layer1 id 7821 7822 7823 7824 7825 7826 7827 7828 7829 7830 3670 atoms in group subset_Layer1 group subset_Layer1 id 7831 7832 7833 7834 7835 7836 7837 7838 7839 7840 3680 atoms in group subset_Layer1 group subset_Layer1 id 7841 7842 7843 7844 7845 7846 7847 7848 7849 7850 3690 atoms in group subset_Layer1 group subset_Layer1 id 7851 7852 7853 7854 7855 7856 7857 7858 7859 7860 3700 atoms in group subset_Layer1 group subset_Layer1 id 7861 7862 7863 7864 7865 7866 7867 7868 7869 7870 3710 atoms in group subset_Layer1 group subset_Layer1 id 7871 7872 7873 7874 7875 7876 7877 7878 7879 7880 3720 atoms in group subset_Layer1 group subset_Layer1 id 7881 7882 7883 7884 7885 7886 7887 7888 7889 7890 3730 atoms in group subset_Layer1 group subset_Layer1 id 7891 7892 7893 7894 7895 7896 7897 7898 7899 7900 3740 atoms in group subset_Layer1 group subset_Layer1 id 7901 7902 7903 7904 7905 7906 7907 7908 7909 7910 3750 atoms in group subset_Layer1 group subset_Layer1 id 7911 7912 7913 7914 7915 7916 7917 7918 7919 7920 3760 atoms in group subset_Layer1 group subset_Layer1 id 7921 7922 7923 7924 7925 7926 7927 7928 7929 7930 3770 atoms in group subset_Layer1 group subset_Layer1 id 7931 7932 7933 7934 7935 7936 7937 7938 7939 7940 3780 atoms in group subset_Layer1 group subset_Layer1 id 7941 7942 7943 7944 7945 7946 7947 7948 7949 7950 3790 atoms in group subset_Layer1 group subset_Layer1 id 7951 7952 7953 7954 7955 7956 7957 7958 7959 7960 3800 atoms in group subset_Layer1 group subset_Layer1 id 7961 7962 7963 7964 7965 7966 7967 7968 7969 7970 3810 atoms in group subset_Layer1 group subset_Layer1 id 7971 7972 7973 7974 7975 7976 7977 7978 7979 7980 3820 atoms in group subset_Layer1 group subset_Layer1 id 7981 7982 7983 7984 7985 7986 7987 7988 7989 7990 3830 atoms in group subset_Layer1 group subset_Layer1 id 7991 7992 7993 7994 7995 7996 7997 7998 7999 8000 3840 atoms in group subset_Layer1 group subset_Layer1 id 8001 8002 8003 8004 8005 8006 8007 8008 8009 8010 3850 atoms in group subset_Layer1 group subset_Layer1 id 8011 8012 8013 8014 8015 8016 8017 8018 8019 8020 3860 atoms in group subset_Layer1 group subset_Layer1 id 8021 8022 8023 8024 8025 8026 8027 8028 8029 8030 3870 atoms in group subset_Layer1 group subset_Layer1 id 8031 8032 8033 8034 8035 8036 8037 8038 8039 8040 3880 atoms in group subset_Layer1 group subset_Layer1 id 8041 8042 8043 8044 8045 8046 8047 8048 8049 8050 3890 atoms in group subset_Layer1 group subset_Layer1 id 8051 8052 8053 8054 8055 8056 8057 8058 8059 8060 3900 atoms in group subset_Layer1 group subset_Layer1 id 8061 8062 8063 8064 8065 8066 8067 8068 8069 8070 3910 atoms in group subset_Layer1 group subset_Layer1 id 8071 8072 8073 8074 8075 8076 8077 8078 8079 8080 3920 atoms in group subset_Layer1 group subset_Layer1 id 8081 8082 8083 8084 8085 8086 8087 8088 8089 8090 3930 atoms in group subset_Layer1 group subset_Layer1 id 8091 8092 8093 8094 8095 8096 8097 8098 8099 8100 3940 atoms in group subset_Layer1 group subset_Layer1 id 8101 8102 8103 8104 8105 8106 8107 8108 8109 8110 3950 atoms in group subset_Layer1 group subset_Layer1 id 8111 8112 8113 8114 8115 8116 8117 8118 8119 8120 3960 atoms in group subset_Layer1 group subset_Layer1 id 8121 8122 8123 8124 8125 8126 8127 8128 8129 8130 3970 atoms in group subset_Layer1 group subset_Layer1 id 8131 8132 8133 8134 8135 8136 8137 8138 8139 8140 3980 atoms in group subset_Layer1 group subset_Layer1 id 8141 8142 8143 8144 8145 8146 8147 8148 8149 8150 3990 atoms in group subset_Layer1 group subset_Layer1 id 8151 8152 8153 8154 8155 8156 8157 8158 8159 8160 4000 atoms in group subset_Layer1 group subset_Layer1 id 8161 8162 8163 8164 8165 8166 8167 8168 8169 8170 4010 atoms in group subset_Layer1 group subset_Layer1 id 8171 8172 8173 8174 8175 8176 8177 8178 8179 8180 4020 atoms in group subset_Layer1 group subset_Layer1 id 8181 8182 8183 8184 8185 8186 8187 8188 8189 8190 4030 atoms in group subset_Layer1 group subset_Layer1 id 8191 8192 8193 8194 8195 8196 8197 8198 8199 8200 4040 atoms in group subset_Layer1 group subset_Layer1 id 8201 8202 8203 8204 8205 8206 8207 8208 8209 8210 4050 atoms in group subset_Layer1 group subset_Layer1 id 8211 8212 8213 8214 8215 8216 8217 8218 8219 8220 4060 atoms in group subset_Layer1 group subset_Layer1 id 8221 8222 8223 8224 8225 8226 8227 8228 8229 8230 4070 atoms in group subset_Layer1 group subset_Layer1 id 8231 8232 8233 8234 8235 8236 8237 8238 8239 8240 4080 atoms in group subset_Layer1 group subset_Layer1 id 8241 8242 8243 8244 8245 8246 8247 8248 8249 8250 4090 atoms in group subset_Layer1 group subset_Layer1 id 8251 8252 8253 8254 8255 8256 8257 8258 8259 8260 4100 atoms in group subset_Layer1 group subset_Layer1 id 8261 8262 8263 8264 8265 8266 8267 8268 8269 8270 4110 atoms in group subset_Layer1 group subset_Layer1 id 8271 8272 8273 8274 8275 8276 8277 8278 8279 8280 4120 atoms in group subset_Layer1 group subset_Layer1 id 8281 8282 8283 8284 8285 8286 8287 8288 8289 8290 4130 atoms in group subset_Layer1 group subset_Layer1 id 8291 8292 8293 8294 8295 8296 8297 8298 8299 8300 4140 atoms in group subset_Layer1 group subset_Layer1 id 8301 8302 8303 8304 8305 8306 8307 8308 8309 8310 4150 atoms in group subset_Layer1 group subset_Layer1 id 8311 8312 8313 8314 8315 8316 8317 8318 8319 8320 4160 atoms in group subset_Layer1 group subset_Layer1 id 8321 8322 8323 8324 8325 8326 8327 8328 8329 8330 4170 atoms in group subset_Layer1 group subset_Layer1 id 8331 8332 8333 8334 8335 8336 8337 8338 8339 8340 4180 atoms in group subset_Layer1 group subset_Layer1 id 8341 8342 8343 8344 8345 8346 8347 8348 8349 8350 4190 atoms in group subset_Layer1 group subset_Layer1 id 8351 8352 8353 8354 8355 8356 8357 8358 8359 8360 4200 atoms in group subset_Layer1 group subset_Layer1 id 8361 8362 8363 8364 8365 8366 8367 8368 8369 8370 4210 atoms in group subset_Layer1 group subset_Layer1 id 8371 8372 8373 8374 8375 8376 8377 8378 8379 8380 4220 atoms in group subset_Layer1 group subset_Layer1 id 8381 8382 8383 8384 8385 8386 8387 8388 8389 8390 4230 atoms in group subset_Layer1 group subset_Layer1 id 8391 8392 8393 8394 8395 8396 8397 8398 8399 8400 4240 atoms in group subset_Layer1 group subset_Layer1 id 8401 8402 8403 8404 8405 8406 8407 8408 8409 8410 4250 atoms in group subset_Layer1 group subset_Layer1 id 8411 8412 8413 8414 8415 8416 8417 8418 8419 8420 4260 atoms in group subset_Layer1 group subset_Layer1 id 8421 8422 8423 8424 8425 8426 8427 8428 8429 8430 4270 atoms in group subset_Layer1 group subset_Layer1 id 8431 8432 8433 8434 8435 8436 8437 8438 8439 8440 4280 atoms in group subset_Layer1 group subset_Layer1 id 8441 8442 8443 8444 8445 8446 8447 8448 8449 8450 4290 atoms in group subset_Layer1 group subset_Layer1 id 8451 8452 8453 8454 8455 8456 8457 8458 8459 8460 4300 atoms in group subset_Layer1 group subset_Layer1 id 8461 8462 8463 8464 8465 8466 8467 8468 8469 8470 4310 atoms in group subset_Layer1 group subset_Layer1 id 8471 8472 8473 8474 8475 8476 8477 8478 8479 8480 4320 atoms in group subset_Layer1 group subset_Layer1 id 8481 8482 8483 8484 8485 8486 8487 8488 8489 8490 4330 atoms in group subset_Layer1 group subset_Layer1 id 8491 8492 8493 8494 8495 8496 8497 8498 8499 8500 4340 atoms in group subset_Layer1 group subset_Layer1 id 8501 8502 8503 8504 8505 8506 8507 8508 8509 8510 4350 atoms in group subset_Layer1 group subset_Layer1 id 8511 8512 8513 8514 8515 8516 8517 8518 8519 8520 4360 atoms in group subset_Layer1 group subset_Layer1 id 8521 8522 8523 8524 8525 8526 8527 8528 8529 8530 4370 atoms in group subset_Layer1 group subset_Layer1 id 8531 8532 8533 8534 8535 8536 8537 8538 8539 8540 4380 atoms in group subset_Layer1 group subset_Layer1 id 8541 8542 8543 8544 8545 8546 8547 8548 8549 8550 4390 atoms in group subset_Layer1 group subset_Layer1 id 8551 8552 8553 8554 8555 8556 8557 8558 8559 8560 4400 atoms in group subset_Layer1 group subset_Layer1 id 8561 8562 8563 8564 8565 8566 8567 8568 8569 8570 4410 atoms in group subset_Layer1 group subset_Layer1 id 8571 8572 8573 8574 8575 8576 8577 8578 8579 8580 4420 atoms in group subset_Layer1 group subset_Layer1 id 8581 8582 8583 8584 8585 8586 8587 8588 8589 8590 4430 atoms in group subset_Layer1 group subset_Layer1 id 8591 8592 8593 8594 8595 8596 8597 8598 8599 8600 4440 atoms in group subset_Layer1 group subset_Layer1 id 8601 8602 8603 8604 8605 8606 8607 8608 8609 8610 4450 atoms in group subset_Layer1 group subset_Layer1 id 8611 8612 8613 8614 8615 8616 8617 8618 8619 8620 4460 atoms in group subset_Layer1 group subset_Layer1 id 8621 8622 8623 8624 8625 8626 8627 8628 8629 8630 4470 atoms in group subset_Layer1 group subset_Layer1 id 8631 8632 8633 8634 8635 8636 8637 8638 8639 8640 4480 atoms in group subset_Layer1 group subset_Layer1 id 8641 8642 8643 8644 8645 8646 8647 8648 8649 8650 4490 atoms in group subset_Layer1 group subset_Layer1 id 8651 8652 8653 8654 8655 8656 8657 8658 8659 8660 4500 atoms in group subset_Layer1 group subset_Layer1 id 8661 8662 8663 8664 8665 8666 8667 8668 8669 8670 4510 atoms in group subset_Layer1 group subset_Layer1 id 8671 8672 8673 8674 8675 8676 8677 8678 8679 8680 4520 atoms in group subset_Layer1 group subset_Layer1 id 8681 8682 8683 8684 8685 8686 8687 8688 8689 8690 4530 atoms in group subset_Layer1 group subset_Layer1 id 8691 8692 8693 8694 8695 8696 8697 8698 8699 8700 4540 atoms in group subset_Layer1 group subset_Layer1 id 8701 8702 8703 8704 8705 8706 8707 8708 8709 8710 4550 atoms in group subset_Layer1 group subset_Layer1 id 8711 8712 8713 8714 8715 8716 8717 8718 8719 8720 4560 atoms in group subset_Layer1 group subset_Layer1 id 8721 8722 8723 8724 8725 8726 8727 8728 8729 8730 4570 atoms in group subset_Layer1 group subset_Layer1 id 8731 8732 8733 8734 8735 8736 8737 8738 8739 8740 4580 atoms in group subset_Layer1 group subset_Layer1 id 8741 8742 8743 8744 8745 8746 8747 8748 8749 8750 4590 atoms in group subset_Layer1 group subset_Layer1 id 8751 8752 8753 8754 8755 8756 8757 8758 8759 8760 4600 atoms in group subset_Layer1 group subset_Layer1 id 8761 8762 8763 8764 8765 8766 8767 8768 8769 8770 4610 atoms in group subset_Layer1 group subset_Layer1 id 8771 8772 8773 8774 8775 8776 8777 8778 8779 8780 4620 atoms in group subset_Layer1 group subset_Layer1 id 8781 8782 8783 8784 8785 8786 8787 8788 8789 8790 4630 atoms in group subset_Layer1 group subset_Layer1 id 8791 8792 8793 8794 8795 8796 8797 8798 8799 8800 4640 atoms in group subset_Layer1 group subset_Layer1 id 8801 8802 8803 8804 8805 8806 8807 8808 8809 8810 4650 atoms in group subset_Layer1 group subset_Layer1 id 8811 8812 8813 8814 8815 8816 8817 8818 8819 8820 4660 atoms in group subset_Layer1 group subset_Layer1 id 8821 8822 8823 8824 8825 8826 8827 8828 8829 8830 4670 atoms in group subset_Layer1 group subset_Layer1 id 8831 8832 8833 8834 8835 8836 8837 8838 8839 8840 4680 atoms in group subset_Layer1 group subset_Layer1 id 8841 8842 8843 8844 8845 8846 8847 8848 8849 8850 4690 atoms in group subset_Layer1 group subset_Layer1 id 8851 8852 8853 8854 8855 8856 8857 8858 8859 8860 4700 atoms in group subset_Layer1 group subset_Layer1 id 8861 8862 8863 8864 8865 8866 8867 8868 8869 8870 4710 atoms in group subset_Layer1 group subset_Layer1 id 8871 8872 8873 8874 8875 8876 8877 8878 8879 8880 4720 atoms in group subset_Layer1 group subset_Layer1 id 8881 8882 8883 8884 8885 8886 8887 8888 8889 8890 4730 atoms in group subset_Layer1 group subset_Layer1 id 8891 8892 8893 8894 8895 8896 8897 8898 8899 8900 4740 atoms in group subset_Layer1 group subset_Layer1 id 8901 8902 8903 8904 8905 8906 8907 8908 8909 8910 4750 atoms in group subset_Layer1 group subset_Layer1 id 8911 8912 8913 8914 8915 8916 8917 8918 8919 8920 4760 atoms in group subset_Layer1 group subset_Layer1 id 8921 8922 8923 8924 8925 8926 8927 8928 8929 8930 4770 atoms in group subset_Layer1 group subset_Layer1 id 8931 8932 8933 8934 8935 8936 8937 8938 8939 8940 4780 atoms in group subset_Layer1 group subset_Layer1 id 8941 8942 8943 8944 8945 8946 8947 8948 8949 8950 4790 atoms in group subset_Layer1 group subset_Layer1 id 8951 8952 8953 8954 8955 8956 8957 8958 8959 8960 4800 atoms in group subset_Layer1 group subset_Layer1 id 8961 8962 8963 8964 8965 8966 8967 8968 8969 8970 4810 atoms in group subset_Layer1 group subset_Layer1 id 8971 8972 8973 8974 8975 8976 8977 8978 8979 8980 4820 atoms in group subset_Layer1 group subset_Layer1 id 8981 8982 8983 8984 8985 8986 8987 8988 8989 8990 4830 atoms in group subset_Layer1 group subset_Layer1 id 8991 8992 8993 8994 8995 8996 8997 8998 8999 9000 4840 atoms in group subset_Layer1 group subset_Layer1 id 9001 9002 9003 9004 9005 9006 9007 9008 9009 9010 4850 atoms in group subset_Layer1 group subset_Layer1 id 9011 9012 9013 9014 9015 9016 9017 9018 9019 9020 4860 atoms in group subset_Layer1 group subset_Layer1 id 9021 9022 9023 9024 9025 9026 9027 9028 9029 9030 4870 atoms in group subset_Layer1 group 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subset_Layer1 id 9311 9312 9313 9314 9315 9316 9317 9318 9319 9320 5160 atoms in group subset_Layer1 group subset_Layer1 id 9321 9322 9323 9324 9325 9326 9327 9328 9329 9330 5170 atoms in group subset_Layer1 group subset_Layer1 id 9331 9332 9333 9334 9335 9336 9337 9338 9339 9340 5180 atoms in group subset_Layer1 group subset_Layer1 id 9341 9342 9343 9344 9345 9346 9347 9348 9349 9350 5190 atoms in group subset_Layer1 group subset_Layer1 id 9351 9352 9353 9354 9355 9356 9357 9358 9359 9360 5200 atoms in group subset_Layer1 group subset_Layer1 id 9361 9362 9363 9364 9365 9366 9367 9368 9369 9370 5210 atoms in group subset_Layer1 group subset_Layer1 id 9371 9372 9373 9374 9375 9376 9377 9378 9379 9380 5220 atoms in group subset_Layer1 group subset_Layer1 id 9381 9382 9383 9384 9385 9386 9387 9388 9389 9390 5230 atoms in group subset_Layer1 group subset_Layer1 id 9391 9392 9393 9394 9395 9396 9397 9398 9399 9400 5240 atoms in group subset_Layer1 group subset_Layer1 id 9401 9402 9403 9404 9405 9406 9407 9408 9409 9410 5250 atoms in group subset_Layer1 group subset_Layer1 id 9411 9412 9413 9414 9415 9416 9417 9418 9419 9420 5260 atoms in group subset_Layer1 group subset_Layer1 id 9421 9422 9423 9424 9425 9426 9427 9428 9429 9430 5270 atoms in group subset_Layer1 group subset_Layer1 id 9431 9432 9433 9434 9435 9436 9437 9438 9439 9440 5280 atoms in group subset_Layer1 group subset_Layer1 id 9441 9442 9443 9444 9445 9446 9447 9448 9449 9450 5290 atoms in group subset_Layer1 group subset_Layer1 id 9451 9452 9453 9454 9455 9456 9457 9458 9459 9460 5300 atoms in group subset_Layer1 group subset_Layer1 id 9461 9462 9463 9464 9465 9466 9467 9468 9469 9470 5310 atoms in group subset_Layer1 group subset_Layer1 id 9471 9472 9473 9474 9475 9476 9477 9478 9479 9480 5320 atoms in group subset_Layer1 group subset_Layer1 id 9481 9482 9483 9484 9485 9486 9487 9488 9489 9490 5330 atoms in group subset_Layer1 group subset_Layer1 id 9491 9492 9493 9494 9495 9496 9497 9498 9499 9500 5340 atoms in group subset_Layer1 group subset_Layer1 id 9501 9502 9503 9504 9505 9506 9507 9508 9509 9510 5350 atoms in group subset_Layer1 group subset_Layer1 id 9511 9512 9513 9514 9515 9516 9517 9518 9519 9520 5360 atoms in group subset_Layer1 group subset_Layer1 id 9521 9522 9523 9524 9525 9526 9527 9528 9529 9530 5370 atoms in group subset_Layer1 group subset_Layer1 id 9531 9532 9533 9534 9535 9536 9537 9538 9539 9540 5380 atoms in group subset_Layer1 group subset_Layer1 id 9541 9542 9543 9544 9545 9546 9547 9548 9549 9550 5390 atoms in group subset_Layer1 group subset_Layer1 id 9551 9552 9553 9554 9555 9556 9557 9558 9559 9560 5400 atoms in group subset_Layer1 group subset_Layer1 id 9561 9562 9563 9564 9565 9566 9567 9568 9569 9570 5410 atoms in group subset_Layer1 group subset_Layer1 id 9571 9572 9573 9574 9575 9576 9577 9578 9579 9580 5420 atoms in group subset_Layer1 group subset_Layer1 id 9581 9582 9583 9584 9585 9586 9587 9588 9589 9590 5430 atoms in group subset_Layer1 group subset_Layer1 id 9591 9592 9593 9594 9595 9596 9597 9598 9599 9600 5440 atoms in group subset_Layer1 group subset_Layer1 id 9601 9602 9603 9604 9605 9606 9607 9608 9609 9610 5450 atoms in group subset_Layer1 group subset_Layer1 id 9611 9612 9613 9614 9615 9616 9617 9618 9619 9620 5460 atoms in group subset_Layer1 group subset_Layer1 id 9621 9622 9623 9624 9625 9626 9627 9628 9629 9630 5470 atoms in group subset_Layer1 group subset_Layer1 id 9631 9632 9633 9634 9635 9636 9637 9638 9639 9640 5480 atoms in group subset_Layer1 group subset_Layer1 id 9641 9642 9643 9644 9645 9646 9647 9648 9649 9650 5490 atoms in group subset_Layer1 group subset_Layer1 id 9651 9652 9653 9654 9655 9656 9657 9658 9659 9660 5500 atoms in group subset_Layer1 group subset_Layer1 id 9661 9662 9663 9664 9665 9666 9667 9668 9669 9670 5510 atoms in group subset_Layer1 group subset_Layer1 id 9671 9672 9673 9674 9675 9676 9677 9678 9679 9680 5520 atoms in group subset_Layer1 group subset_Layer1 id 9681 9682 9683 9684 9685 9686 9687 9688 9689 9690 5530 atoms in group subset_Layer1 group subset_Layer1 id 9691 9692 9693 9694 9695 9696 9697 9698 9699 9700 5540 atoms in group subset_Layer1 group subset_Layer1 id 9701 9702 9703 9704 9705 9706 9707 9708 9709 9710 5550 atoms in group subset_Layer1 group subset_Layer1 id 9711 9712 9713 9714 9715 9716 9717 9718 9719 9720 5560 atoms in group subset_Layer1 group subset_Layer1 id 9721 9722 9723 9724 9725 9726 9727 9728 9729 9730 5570 atoms in group subset_Layer1 group subset_Layer1 id 9731 9732 9733 9734 9735 9736 9737 9738 9739 9740 5580 atoms in group subset_Layer1 group subset_Layer1 id 9741 9742 9743 9744 9745 9746 9747 9748 9749 9750 5590 atoms in group subset_Layer1 group subset_Layer1 id 9751 9752 9753 9754 9755 9756 9757 9758 9759 9760 5600 atoms in group subset_Layer1 group subset_Layer1 id 9761 9762 9763 9764 9765 9766 9767 9768 9769 9770 5610 atoms in group subset_Layer1 group subset_Layer1 id 9771 9772 9773 9774 9775 9776 9777 9778 9779 9780 5620 atoms in group subset_Layer1 group subset_Layer1 id 9781 9782 9783 9784 9785 9786 9787 9788 9789 9790 5630 atoms in group subset_Layer1 group subset_Layer1 id 9791 9792 9793 9794 9795 9796 9797 9798 9799 9800 5640 atoms in group subset_Layer1 group subset_Layer1 id 9801 9802 9803 9804 9805 9806 9807 9808 9809 9810 5650 atoms in group subset_Layer1 group subset_Layer1 id 9811 9812 9813 9814 9815 9816 9817 9818 9819 9820 5660 atoms in group subset_Layer1 group subset_Layer1 id 9821 9822 9823 9824 9825 9826 9827 9828 9829 9830 5670 atoms in group subset_Layer1 group subset_Layer1 id 9831 9832 9833 9834 9835 9836 9837 9838 9839 9840 5680 atoms in group subset_Layer1 group subset_Layer1 id 9841 9842 9843 9844 9845 9846 9847 9848 9849 9850 5690 atoms in group subset_Layer1 group subset_Layer1 id 9851 9852 9853 9854 9855 9856 9857 9858 9859 9860 5700 atoms in group subset_Layer1 group subset_Layer1 id 9861 9862 9863 9864 9865 9866 9867 9868 9869 9870 5710 atoms in group subset_Layer1 group subset_Layer1 id 9871 9872 9873 9874 9875 9876 9877 9878 9879 9880 5720 atoms in group subset_Layer1 group subset_Layer1 id 9881 9882 9883 9884 9885 9886 9887 9888 9889 9890 5730 atoms in group subset_Layer1 group subset_Layer1 id 9891 9892 9893 9894 9895 9896 9897 9898 9899 9900 5740 atoms in group subset_Layer1 group subset_Layer1 id 9901 9902 9903 9904 9905 9906 9907 9908 9909 9910 5750 atoms in group subset_Layer1 group subset_Layer1 id 9911 9912 9913 9914 9915 9916 9917 9918 9919 9920 5760 atoms in group subset_Layer1 group subset_Layer1 id 9921 9922 9923 9924 9925 9926 9927 9928 9929 9930 5770 atoms in group subset_Layer1 group subset_Layer1 id 9931 9932 9933 9934 9935 9936 9937 9938 9939 9940 5780 atoms in group subset_Layer1 group subset_Layer1 id 9941 9942 9943 9944 9945 9946 9947 9948 9949 9950 5790 atoms in group subset_Layer1 group subset_Layer1 id 9951 9952 9953 9954 9955 9956 9957 9958 9959 9960 5800 atoms in group subset_Layer1 group subset_Layer1 id 9961 9962 9963 9964 9965 9966 9967 9968 9969 9970 5810 atoms in group subset_Layer1 group subset_Layer1 id 9971 9972 9973 9974 9975 9976 9977 9978 9979 9980 5820 atoms in group subset_Layer1 group subset_Layer1 id 9981 9982 9983 9984 9985 9986 9987 9988 9989 9990 5830 atoms in group subset_Layer1 group subset_Layer1 id 9991 9992 9993 9994 9995 9996 9997 9998 9999 10000 5840 atoms in group subset_Layer1 group subset_Layer1 id 10001 10002 10003 10004 10005 10006 10007 10008 10009 10010 5850 atoms in group subset_Layer1 group subset_Layer1 id 10011 10012 10013 10014 10015 10016 10017 10018 10019 10020 5860 atoms in group subset_Layer1 group subset_Layer1 id 10021 10022 10023 10024 10025 10026 10027 10028 10029 10030 5870 atoms in group subset_Layer1 group subset_Layer1 id 10031 10032 10033 10034 10035 10036 10037 10038 10039 10040 5880 atoms in group subset_Layer1 group subset_Layer1 id 10041 10042 10043 10044 10045 10046 10047 10048 10049 10050 5890 atoms in group subset_Layer1 group subset_Layer1 id 10051 10052 10053 10054 10055 10056 10057 10058 10059 10060 5900 atoms in group subset_Layer1 group subset_Layer1 id 10061 10062 10063 10064 10065 10066 10067 10068 10069 10070 5910 atoms in group subset_Layer1 group subset_Layer1 id 10071 10072 10073 10074 10075 10076 10077 10078 10079 10080 5920 atoms in group subset_Layer1 group subset_Layer1 id 10081 10082 10083 10084 10085 10086 10087 10088 10089 10090 5930 atoms in group subset_Layer1 group subset_Layer1 id 10091 10092 10093 10094 10095 10096 10097 10098 10099 10100 5940 atoms in group subset_Layer1 group subset_Layer1 id 10101 10102 10103 10104 10105 10106 10107 10108 10109 10110 5950 atoms in group subset_Layer1 group subset_Layer1 id 10111 10112 10113 10114 10115 10116 10117 10118 10119 10120 5960 atoms in group subset_Layer1 group subset_Layer1 id 10121 10122 10123 10124 10125 10126 10127 10128 10129 10130 5970 atoms in group subset_Layer1 group subset_Layer1 id 10131 10132 10133 10134 10135 10136 10137 10138 10139 10140 5980 atoms in group subset_Layer1 group subset_Layer1 id 10141 10142 10143 10144 10145 10146 10147 10148 10149 10150 5990 atoms in group subset_Layer1 group subset_Layer1 id 10151 10152 10153 10154 10155 10156 10157 10158 10159 10160 6000 atoms in group subset_Layer1 group subset_Layer1 id 10161 10162 10163 10164 10165 10166 10167 10168 10169 10170 6010 atoms in group subset_Layer1 group subset_Layer1 id 10171 10172 10173 10174 10175 10176 10177 10178 10179 10180 6020 atoms in group subset_Layer1 group subset_Layer1 id 10181 10182 10183 10184 10185 10186 10187 10188 10189 10190 6030 atoms in group subset_Layer1 group subset_Layer1 id 10191 10192 10193 10194 10195 10196 10197 10198 10199 10200 6040 atoms in group subset_Layer1 group subset_Layer1 id 10201 10202 10203 10204 10205 10206 10207 10208 10209 10210 6050 atoms in group subset_Layer1 group subset_Layer1 id 10211 10212 10213 10214 10215 10216 10217 10218 10219 10220 6060 atoms in group subset_Layer1 group subset_Layer1 id 10221 10222 10223 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subset_Layer1 group subset_Layer1 id 10311 10312 10313 10314 10315 10316 10317 10318 10319 10320 6160 atoms in group subset_Layer1 group subset_Layer1 id 10321 10322 10323 10324 10325 10326 10327 10328 10329 10330 6170 atoms in group subset_Layer1 group subset_Layer1 id 10331 10332 10333 10334 10335 10336 10337 10338 10339 10340 6180 atoms in group subset_Layer1 group subset_Layer1 id 10341 10342 10343 10344 10345 10346 10347 10348 10349 10350 6190 atoms in group subset_Layer1 group subset_Layer1 id 10351 10352 10353 10354 10355 10356 10357 10358 10359 10360 6200 atoms in group subset_Layer1 group subset_Layer1 id 10361 10362 10363 10364 10365 10366 10367 10368 10369 10370 6210 atoms in group subset_Layer1 group subset_Layer1 id 10371 10372 10373 10374 10375 10376 10377 10378 10379 10380 6220 atoms in group subset_Layer1 group subset_Layer1 id 10381 10382 10383 10384 10385 10386 10387 10388 10389 10390 6230 atoms in group subset_Layer1 group subset_Layer1 id 10391 10392 10393 10394 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10565 10566 10567 10568 10569 10570 6410 atoms in group subset_Layer1 group subset_Layer1 id 10571 10572 10573 10574 10575 10576 10577 10578 10579 10580 6420 atoms in group subset_Layer1 group subset_Layer1 id 10581 10582 10583 10584 10585 10586 10587 10588 10589 10590 6430 atoms in group subset_Layer1 group subset_Layer1 id 10591 10592 10593 10594 10595 10596 10597 10598 10599 10600 6440 atoms in group subset_Layer1 group subset_Layer1 id 10601 10602 10603 10604 10605 10606 10607 10608 10609 10610 6450 atoms in group subset_Layer1 group subset_Layer1 id 10611 10612 10613 10614 10615 10616 10617 10618 10619 10620 6460 atoms in group subset_Layer1 group subset_Layer1 id 10621 10622 10623 10624 10625 10626 10627 10628 10629 10630 6470 atoms in group subset_Layer1 group subset_Layer1 id 10631 10632 10633 10634 10635 10636 10637 10638 10639 10640 6480 atoms in group subset_Layer1 group subset_Layer1 id 10641 10642 10643 10644 10645 10646 10647 10648 10649 10650 6490 atoms in group subset_Layer1 group subset_Layer1 id 10651 10652 10653 10654 10655 10656 10657 10658 10659 10660 6500 atoms in group subset_Layer1 group subset_Layer1 id 10661 10662 10663 10664 10665 10666 10667 10668 10669 10670 6510 atoms in group subset_Layer1 group subset_Layer1 id 10671 10672 10673 10674 10675 10676 10677 10678 10679 10680 6520 atoms in group subset_Layer1 group subset_Layer1 id 10681 10682 10683 10684 10685 10686 10687 10688 10689 10690 6530 atoms in group subset_Layer1 group subset_Layer1 id 10691 10692 10693 10694 10695 10696 10697 10698 10699 10700 6540 atoms in group subset_Layer1 group subset_Layer1 id 10701 10702 10703 10704 10705 10706 10707 10708 10709 10710 6550 atoms in group subset_Layer1 group subset_Layer1 id 10711 10712 10713 10714 10715 10716 10717 10718 10719 10720 6560 atoms in group subset_Layer1 group subset_Layer1 id 10721 10722 10723 10724 10725 10726 10727 10728 10729 10730 6570 atoms in group subset_Layer1 group subset_Layer1 id 10731 10732 10733 10734 10735 10736 10737 10738 10739 10740 6580 atoms in group subset_Layer1 group subset_Layer1 id 10741 10742 10743 10744 10745 10746 10747 10748 10749 10750 6590 atoms in group subset_Layer1 group subset_Layer1 id 10751 10752 10753 10754 10755 10756 10757 10758 10759 10760 6600 atoms in group subset_Layer1 group subset_Layer1 id 10761 10762 10763 10764 10765 10766 10767 10768 10769 10770 6610 atoms in group subset_Layer1 group subset_Layer1 id 10771 10772 10773 10774 10775 10776 10777 10778 10779 10780 6620 atoms in group subset_Layer1 group subset_Layer1 id 10781 10782 10783 10784 10785 10786 10787 10788 10789 10790 6630 atoms in group subset_Layer1 group subset_Layer1 id 10791 10792 10793 10794 10795 10796 10797 10798 10799 10800 6640 atoms in group subset_Layer1 group subset_Layer1 id 10801 10802 10803 10804 10805 10806 10807 10808 10809 10810 6650 atoms in group subset_Layer1 group subset_Layer1 id 10811 10812 10813 10814 10815 10816 10817 10818 10819 10820 6660 atoms in group subset_Layer1 group subset_Layer1 id 10821 10822 10823 10824 10825 10826 10827 10828 10829 10830 6670 atoms in group subset_Layer1 group subset_Layer1 id 10831 10832 10833 10834 10835 10836 10837 10838 10839 10840 6680 atoms in group subset_Layer1 group subset_Layer1 id 10841 10842 10843 10844 10845 10846 10847 10848 10849 10850 6690 atoms in group subset_Layer1 group subset_Layer1 id 10851 10852 10853 10854 10855 10856 10857 10858 10859 10860 6700 atoms in group subset_Layer1 group subset_Layer1 id 10861 10862 10863 10864 10865 10866 10867 10868 10869 10870 6710 atoms in group subset_Layer1 group subset_Layer1 id 10871 10872 10873 10874 10875 10876 10877 10878 10879 10880 6720 atoms in group subset_Layer1 group subset_Layer1 id 10881 10882 10883 10884 10885 10886 10887 10888 10889 10890 6730 atoms in group subset_Layer1 group subset_Layer1 id 10891 10892 10893 10894 10895 10896 10897 10898 10899 10900 6740 atoms in group subset_Layer1 group subset_Layer1 id 10901 10902 10903 10904 10905 10906 10907 10908 10909 10910 6750 atoms in group subset_Layer1 group subset_Layer1 id 10911 10912 10913 10914 10915 10916 10917 10918 10919 10920 6760 atoms in group subset_Layer1 group subset_Layer1 id 10921 10922 10923 10924 10925 10926 10927 10928 10929 10930 6770 atoms in group subset_Layer1 group subset_Layer1 id 10931 10932 10933 10934 10935 10936 10937 10938 10939 10940 6780 atoms in group subset_Layer1 group subset_Layer1 id 10941 10942 10943 10944 10945 10946 10947 10948 10949 10950 6790 atoms in group subset_Layer1 group subset_Layer1 id 10951 10952 10953 10954 10955 10956 10957 10958 10959 10960 6800 atoms in group subset_Layer1 group subset_Layer1 id 10961 10962 10963 10964 10965 10966 10967 10968 10969 10970 6810 atoms in group subset_Layer1 group subset_Layer1 id 10971 10972 10973 10974 10975 10976 10977 10978 10979 10980 6820 atoms in group subset_Layer1 group subset_Layer1 id 10981 10982 10983 10984 10985 10986 10987 10988 10989 10990 6830 atoms in group subset_Layer1 group subset_Layer1 id 10991 10992 10993 10994 10995 10996 10997 10998 10999 11000 6840 atoms in group subset_Layer1 group subset_Layer1 id 11001 11002 11003 11004 11005 11006 11007 11008 11009 11010 6850 atoms in group subset_Layer1 group subset_Layer1 id 11011 11012 11013 11014 11015 11016 11017 11018 11019 11020 6860 atoms in group subset_Layer1 group subset_Layer1 id 11021 11022 11023 11024 11025 11026 11027 11028 11029 11030 6870 atoms in group subset_Layer1 group subset_Layer1 id 11031 11032 11033 11034 11035 11036 11037 11038 11039 11040 6880 atoms in group subset_Layer1 group subset_Layer1 id 11041 11042 11043 11044 11045 11046 11047 11048 11049 11050 6890 atoms in group subset_Layer1 group subset_Layer1 id 11051 11052 11053 11054 11055 11056 11057 11058 11059 11060 6900 atoms in group subset_Layer1 group subset_Layer1 id 11061 11062 11063 11064 11065 11066 11067 11068 11069 11070 6910 atoms in group subset_Layer1 group subset_Layer1 id 11071 11072 11073 11074 11075 11076 11077 11078 11079 11080 6920 atoms in group subset_Layer1 group subset_Layer1 id 11081 11082 11083 11084 11085 11086 11087 11088 11089 11090 6930 atoms in group subset_Layer1 group subset_Layer1 id 11091 11092 11093 11094 11095 11096 11097 11098 11099 11100 6940 atoms in group subset_Layer1 group subset_Layer1 id 11101 11102 11103 11104 11105 11106 11107 11108 11109 11110 6950 atoms in group subset_Layer1 group subset_Layer1 id 11111 11112 11113 11114 11115 11116 11117 11118 11119 11120 6960 atoms in group subset_Layer1 group subset_Layer1 id 11121 11122 11123 11124 11125 11126 11127 11128 11129 11130 6970 atoms in group subset_Layer1 group subset_Layer1 id 11131 11132 11133 11134 11135 11136 11137 11138 11139 11140 6980 atoms in group subset_Layer1 group subset_Layer1 id 11141 11142 11143 11144 11145 11146 11147 11148 11149 11150 6990 atoms in group subset_Layer1 group subset_Layer1 id 11151 11152 11153 11154 11155 11156 11157 11158 11159 11160 7000 atoms in group subset_Layer1 group subset_Layer1 id 11161 11162 11163 11164 11165 11166 11167 11168 11169 11170 7010 atoms in group subset_Layer1 group subset_Layer1 id 11171 11172 11173 11174 11175 11176 11177 11178 11179 11180 7020 atoms in group subset_Layer1 group subset_Layer1 id 11181 11182 11183 11184 11185 11186 11187 11188 11189 11190 7030 atoms in group subset_Layer1 group subset_Layer1 id 11191 11192 11193 11194 11195 11196 11197 11198 11199 11200 7040 atoms in group subset_Layer1 group subset_Layer1 id 11201 11202 11203 11204 11205 11206 11207 11208 11209 11210 7050 atoms in group subset_Layer1 group subset_Layer1 id 11211 11212 11213 11214 11215 11216 11217 11218 11219 11220 7060 atoms in group subset_Layer1 group subset_Layer1 id 11221 11222 11223 11224 11225 11226 11227 11228 11229 11230 7070 atoms in group subset_Layer1 group subset_Layer1 id 11231 11232 11233 11234 11235 11236 11237 11238 11239 11240 7080 atoms in group subset_Layer1 group subset_Layer1 id 11241 11242 11243 11244 11245 11246 11247 11248 11249 11250 7090 atoms in group subset_Layer1 group subset_Layer1 id 11251 11252 11253 11254 11255 11256 11257 11258 11259 11260 7100 atoms in group subset_Layer1 group subset_Layer1 id 11261 11262 11263 11264 11265 11266 11267 11268 11269 11270 7110 atoms in group subset_Layer1 group subset_Layer1 id 11271 11272 11273 11274 11275 11276 11277 11278 11279 11280 7120 atoms in group subset_Layer1 group subset_Layer1 id 11281 11282 11283 11284 11285 11286 11287 11288 11289 11290 7130 atoms in group subset_Layer1 group subset_Layer1 id 11291 11292 11293 11294 11295 11296 11297 11298 11299 11300 7140 atoms in group subset_Layer1 group subset_Layer1 id 11301 11302 11303 11304 11305 11306 11307 11308 11309 11310 7150 atoms in group subset_Layer1 group subset_Layer1 id 11311 11312 11313 11314 11315 11316 11317 11318 11319 11320 7160 atoms in group subset_Layer1 group subset_Layer1 id 11321 11322 11323 11324 11325 11326 11327 11328 11329 11330 7170 atoms in group subset_Layer1 group subset_Layer1 id 11331 11332 11333 11334 11335 11336 11337 11338 11339 11340 7180 atoms in group subset_Layer1 group subset_Layer1 id 11341 11342 11343 11344 11345 11346 11347 11348 11349 11350 7190 atoms in group subset_Layer1 group subset_Layer1 id 11351 11352 11353 11354 11355 11356 11357 11358 11359 11360 7200 atoms in group subset_Layer1 group subset_Layer1 id 11361 11362 11363 11364 11365 11366 11367 11368 11369 11370 7210 atoms in group subset_Layer1 group subset_Layer1 id 11371 11372 11373 11374 11375 11376 11377 11378 11379 11380 7220 atoms in group subset_Layer1 group subset_Layer1 id 11381 11382 11383 11384 11385 11386 11387 11388 11389 11390 7230 atoms in group subset_Layer1 group subset_Layer1 id 11391 11392 11393 11394 11395 11396 11397 11398 11399 11400 7240 atoms in group subset_Layer1 group subset_Layer1 id 11401 11402 11403 11404 11405 11406 11407 11408 11409 11410 7250 atoms in group subset_Layer1 group subset_Layer1 id 11411 11412 11413 11414 11415 11416 11417 11418 11419 11420 7260 atoms in group subset_Layer1 group subset_Layer1 id 11421 11422 11423 11424 11425 11426 11427 11428 11429 11430 7270 atoms in group subset_Layer1 group subset_Layer1 id 11431 11432 11433 11434 11435 11436 11437 11438 11439 11440 7280 atoms in group subset_Layer1 group subset_Layer1 id 11441 11442 11443 11444 11445 11446 11447 11448 11449 11450 7290 atoms in group subset_Layer1 group subset_Layer1 id 11451 11452 11453 11454 11455 11456 11457 11458 11459 11460 7300 atoms in group subset_Layer1 group subset_Layer1 id 11461 11462 11463 11464 11465 11466 11467 11468 11469 11470 7310 atoms in group subset_Layer1 group subset_Layer1 id 11471 11472 11473 11474 11475 11476 11477 11478 11479 11480 7320 atoms in group subset_Layer1 group subset_Layer1 id 11481 11482 11483 11484 11485 11486 11487 11488 11489 11490 7330 atoms in group subset_Layer1 group subset_Layer1 id 11491 11492 11493 11494 11495 11496 11497 11498 11499 11500 7340 atoms in group subset_Layer1 group subset_Layer1 id 11501 11502 11503 11504 11505 11506 11507 11508 11509 11510 7350 atoms in group subset_Layer1 group subset_Layer1 id 11511 11512 11513 11514 11515 11516 11517 11518 11519 11520 7360 atoms in group subset_Layer1 group subset_Layer1 id 11521 11522 11523 11524 11525 11526 11527 11528 11529 11530 7370 atoms in group subset_Layer1 group subset_Layer1 id 11531 11532 11533 11534 11535 11536 11537 11538 11539 11540 7380 atoms in group subset_Layer1 group subset_Layer1 id 11541 11542 11543 11544 11545 11546 11547 11548 11549 11550 7390 atoms in group subset_Layer1 group subset_Layer1 id 11551 11552 11553 11554 11555 11556 11557 11558 11559 11560 7400 atoms in group subset_Layer1 group subset_Layer1 id 11561 11562 11563 11564 11565 11566 11567 11568 11569 11570 7410 atoms in group subset_Layer1 group subset_Layer1 id 11571 11572 11573 11574 11575 11576 11577 11578 11579 11580 7420 atoms in group subset_Layer1 group subset_Layer1 id 11581 11582 11583 11584 11585 11586 11587 11588 11589 11590 7430 atoms in group subset_Layer1 group subset_Layer1 id 11591 11592 11593 11594 11595 11596 11597 11598 11599 11600 7440 atoms in group subset_Layer1 group subset_Layer1 id 11601 11602 11603 11604 11605 11606 11607 11608 11609 11610 7450 atoms in group subset_Layer1 group subset_Layer1 id 11611 11612 11613 11614 11615 11616 11617 11618 11619 11620 7460 atoms in group subset_Layer1 group subset_Layer1 id 11621 11622 11623 11624 11625 11626 11627 11628 11629 11630 7470 atoms in group subset_Layer1 group subset_Layer1 id 11631 11632 11633 11634 11635 11636 11637 11638 11639 11640 7480 atoms in group subset_Layer1 group subset_Layer1 id 11641 11642 11643 11644 11645 11646 11647 11648 11649 11650 7490 atoms in group subset_Layer1 group subset_Layer1 id 11651 11652 11653 11654 11655 11656 11657 11658 11659 11660 7500 atoms in group subset_Layer1 group subset_Layer1 id 11661 11662 11663 11664 11665 11666 11667 11668 11669 11670 7510 atoms in group subset_Layer1 group subset_Layer1 id 11671 11672 11673 11674 11675 11676 11677 11678 11679 11680 7520 atoms in group subset_Layer1 group subset_Layer1 id 11681 11682 11683 11684 11685 11686 11687 11688 11689 11690 7530 atoms in group subset_Layer1 group subset_Layer1 id 11691 11692 11693 11694 11695 11696 11697 11698 11699 11700 7540 atoms in group subset_Layer1 group subset_Layer1 id 11701 11702 11703 11704 11705 11706 11707 11708 11709 11710 7550 atoms in group subset_Layer1 group subset_Layer1 id 11711 11712 11713 11714 11715 11716 11717 11718 11719 11720 7560 atoms in group subset_Layer1 group subset_Layer1 id 11721 11722 11723 11724 11725 11726 11727 11728 11729 11730 7570 atoms in group subset_Layer1 group subset_Layer1 id 11731 11732 11733 11734 11735 11736 11737 11738 11739 11740 7580 atoms in group subset_Layer1 group subset_Layer1 id 11741 11742 11743 11744 11745 11746 11747 11748 11749 11750 7590 atoms in group subset_Layer1 group subset_Layer1 id 11751 11752 11753 11754 11755 11756 11757 11758 11759 11760 7600 atoms in group subset_Layer1 group subset_Layer1 id 11761 11762 11763 11764 11765 11766 11767 11768 11769 11770 7610 atoms in group subset_Layer1 group subset_Layer1 id 11771 11772 11773 11774 11775 11776 11777 11778 11779 11780 7620 atoms in group subset_Layer1 group subset_Layer1 id 11781 11782 11783 11784 11785 11786 11787 11788 11789 11790 7630 atoms in group subset_Layer1 group subset_Layer1 id 11791 11792 11793 11794 11795 11796 11797 11798 11799 11800 7640 atoms in group subset_Layer1 group subset_Layer1 id 11801 11802 11803 11804 11805 11806 11807 11808 11809 11810 7650 atoms in group subset_Layer1 group subset_Layer1 id 11811 11812 11813 11814 11815 11816 11817 11818 11819 11820 7660 atoms in group subset_Layer1 group subset_Layer1 id 11821 11822 11823 11824 11825 11826 11827 11828 11829 11830 7670 atoms in group subset_Layer1 group subset_Layer1 id 11831 11832 11833 11834 11835 11836 11837 11838 11839 11840 7680 atoms in group subset_Layer1 group subset_Layer1 id 11841 11842 11843 11844 11845 11846 11847 11848 11849 11850 7690 atoms in group subset_Layer1 group subset_Layer1 id 11851 11852 11853 11854 11855 11856 11857 11858 11859 11860 7700 atoms in group subset_Layer1 group subset_Layer1 id 11861 11862 11863 11864 11865 11866 11867 11868 11869 11870 7710 atoms in group subset_Layer1 group subset_Layer1 id 11871 11872 11873 11874 11875 11876 11877 11878 11879 11880 7720 atoms in group subset_Layer1 group subset_Layer1 id 11881 11882 11883 11884 11885 11886 11887 11888 11889 11890 7730 atoms in group subset_Layer1 group subset_Layer1 id 11891 11892 11893 11894 11895 11896 11897 11898 11899 11900 7740 atoms in group subset_Layer1 group subset_Layer1 id 11901 11902 11903 11904 11905 11906 11907 11908 11909 11910 7750 atoms in group subset_Layer1 group subset_Layer1 id 11911 11912 11913 11914 11915 11916 11917 11918 11919 11920 7760 atoms in group subset_Layer1 group subset_Layer1 id 11921 11922 11923 11924 11925 11926 11927 11928 11929 11930 7770 atoms in group subset_Layer1 group subset_Layer1 id 11931 11932 11933 11934 11935 11936 11937 11938 11939 11940 7780 atoms in group subset_Layer1 group subset_Layer1 id 11941 11942 11943 11944 11945 11946 11947 11948 11949 11950 7790 atoms in group subset_Layer1 group subset_Layer1 id 11951 11952 11953 11954 11955 11956 11957 11958 11959 11960 7800 atoms in group subset_Layer1 group subset_Layer1 id 11961 11962 11963 11964 11965 11966 11967 11968 11969 11970 7810 atoms in group subset_Layer1 group subset_Layer1 id 11971 11972 11973 11974 11975 11976 11977 11978 11979 11980 7820 atoms in group subset_Layer1 group subset_Layer1 id 11981 11982 11983 11984 11985 11986 11987 11988 11989 11990 7830 atoms in group subset_Layer1 group subset_Layer1 id 11991 11992 11993 11994 11995 11996 11997 11998 11999 12000 7840 atoms in group subset_Layer1 group subset_Layer1 id 12001 12002 12003 12004 12005 12006 12007 12008 12009 12010 7850 atoms in group subset_Layer1 group subset_Layer1 id 12011 12012 12013 12014 12015 12016 12017 12018 12019 12020 7860 atoms in group subset_Layer1 group subset_Layer1 id 12021 12022 12023 12024 12025 12026 12027 12028 12029 12030 7870 atoms in group subset_Layer1 group subset_Layer1 id 12031 12032 12033 12034 12035 12036 12037 12038 12039 12040 7880 atoms in group subset_Layer1 group subset_Layer1 id 12041 12042 12043 12044 12045 12046 12047 12048 12049 12050 7890 atoms in group subset_Layer1 group subset_Layer1 id 12051 12052 12053 12054 12055 12056 12057 12058 12059 12060 7900 atoms in group subset_Layer1 group subset_Layer1 id 12061 12062 12063 12064 12065 12066 12067 12068 12069 12070 7910 atoms in group subset_Layer1 group subset_Layer1 id 12071 12072 12073 12074 12075 12076 12077 12078 12079 12080 7920 atoms in group subset_Layer1 group subset_Layer1 id 12081 12082 12083 12084 12085 12086 12087 12088 12089 12090 7930 atoms in group subset_Layer1 group subset_Layer1 id 12091 12092 12093 12094 12095 12096 12097 12098 12099 12100 7940 atoms in group subset_Layer1 group subset_Layer1 id 12101 12102 12103 12104 12105 12106 12107 12108 12109 12110 7950 atoms in group subset_Layer1 group subset_Layer1 id 12111 12112 12113 12114 12115 12116 12117 12118 12119 12120 7960 atoms in group subset_Layer1 group subset_Layer1 id 12121 12122 12123 12124 12125 12126 12127 12128 12129 12130 7970 atoms in group subset_Layer1 group subset_Layer1 id 12131 12132 12133 12134 12135 12136 12137 12138 12139 12140 7980 atoms in group subset_Layer1 group subset_Layer1 id 12141 12142 12143 12144 12145 12146 12147 12148 12149 12150 7990 atoms in group subset_Layer1 group subset_Layer1 id 12151 12152 12153 12154 12155 12156 12157 12158 12159 12160 8000 atoms in group subset_Layer1 group subset_Layer1 id 12161 12162 12163 12164 12165 12166 12167 12168 12169 12170 8010 atoms in group subset_Layer1 group subset_Layer1 id 12171 12172 12173 12174 12175 12176 12177 12178 12179 12180 8020 atoms in group subset_Layer1 group subset_Layer1 id 12181 12182 12183 12184 12185 12186 12187 12188 12189 12190 8030 atoms in group subset_Layer1 group subset_Layer1 id 12191 12192 12193 12194 12195 12196 12197 12198 12199 12200 8040 atoms in group subset_Layer1 group subset_Layer1 id 12201 12202 12203 12204 12205 12206 12207 12208 12209 12210 8050 atoms in group subset_Layer1 group subset_Layer1 id 12211 12212 12213 12214 12215 12216 12217 12218 12219 12220 8060 atoms in group subset_Layer1 group subset_Layer1 id 12221 12222 12223 12224 12225 12226 12227 12228 12229 12230 8070 atoms in group subset_Layer1 group subset_Layer1 id 12231 12232 12233 12234 12235 12236 12237 12238 12239 12240 8080 atoms in group subset_Layer1 group subset_Layer1 id 12241 12242 12243 12244 12245 12246 12247 12248 12249 12250 8090 atoms in group subset_Layer1 group subset_Layer1 id 12251 12252 12253 12254 12255 12256 12257 12258 12259 12260 8100 atoms in group subset_Layer1 group subset_Layer1 id 12261 12262 12263 12264 12265 12266 12267 12268 12269 12270 8110 atoms in group subset_Layer1 group subset_Layer1 id 12271 12272 12273 12274 12275 12276 12277 12278 12279 12280 8120 atoms in group subset_Layer1 group subset_Layer1 id 12281 12282 12283 12284 12285 12286 12287 12288 12289 12290 8130 atoms in group subset_Layer1 group subset_Layer1 id 12291 12292 12293 12294 12295 12296 12297 12298 12299 12300 8140 atoms in group subset_Layer1 group subset_Layer1 id 12301 12302 12303 12304 12305 12306 12307 12308 12309 12310 8150 atoms in group subset_Layer1 group subset_Layer1 id 12311 12312 12313 12314 12315 12316 12317 12318 12319 12320 8160 atoms in group subset_Layer1 group subset_Layer1 id 12321 12322 12323 12324 12325 12326 12327 12328 12329 12330 8170 atoms in group subset_Layer1 group subset_Layer1 id 12331 12332 12333 12334 12335 12336 12337 12338 12339 12340 8180 atoms in group subset_Layer1 group subset_Layer1 id 12341 12342 12343 12344 12345 12346 12347 12348 12349 12350 8190 atoms in group subset_Layer1 group subset_Layer1 id 12351 12352 12353 12354 12355 12356 12357 12358 12359 12360 8200 atoms in group subset_Layer1 group subset_Layer1 id 12361 12362 12363 12364 12365 12366 12367 12368 12369 12370 8210 atoms in group subset_Layer1 group subset_Layer1 id 12371 12372 12373 12374 12375 12376 12377 12378 12379 12380 8220 atoms in group subset_Layer1 group subset_Layer1 id 12381 12382 12383 12384 12385 12386 12387 12388 12389 12390 8230 atoms in group subset_Layer1 group subset_Layer1 id 12391 12392 12393 12394 12395 12396 12397 12398 12399 12400 8240 atoms in group subset_Layer1 group subset_Layer1 id 12401 12402 12403 12404 12405 12406 12407 12408 12409 12410 8250 atoms in group subset_Layer1 group subset_Layer1 id 12411 12412 12413 12414 12415 12416 12417 12418 12419 12420 8260 atoms in group subset_Layer1 group subset_Layer1 id 12421 12422 12423 12424 12425 12426 12427 12428 12429 12430 8270 atoms in group subset_Layer1 group subset_Layer1 id 12431 12432 12433 12434 12435 12436 12437 12438 12439 12440 8280 atoms in group subset_Layer1 group subset_Layer1 id 12441 12442 12443 12444 12445 12446 12447 12448 12449 12450 8290 atoms in group subset_Layer1 group subset_Layer1 id 12451 12452 12453 12454 12455 12456 12457 12458 12459 12460 8300 atoms in group subset_Layer1 group subset_Layer1 id 12461 12462 12463 12464 12465 12466 12467 12468 12469 12470 8310 atoms in group subset_Layer1 group subset_Layer1 id 12471 12472 12473 12474 12475 12476 12477 12478 12479 12480 8320 atoms in group subset_Layer1 group subset_Layer1 id 12481 12482 12483 12484 12485 12486 12487 12488 12489 12490 8330 atoms in group subset_Layer1 group subset_Layer1 id 12491 12492 12493 12494 12495 12496 12497 12498 12499 12500 8340 atoms in group subset_Layer1 group subset_Layer1 id 12501 12502 12503 12504 12505 12506 12507 12508 12509 12510 8350 atoms in group subset_Layer1 group subset_Layer1 id 12511 12512 12513 12514 12515 12516 12517 12518 12519 12520 8360 atoms in group subset_Layer1 group subset_Layer1 id 12521 12522 12523 12524 12525 12526 12527 12528 12529 12530 8370 atoms in group subset_Layer1 group subset_Layer1 id 12531 12532 12533 12534 12535 12536 12537 12538 12539 12540 8380 atoms in group subset_Layer1 group subset_Layer1 id 12541 12542 12543 12544 12545 12546 12547 12548 12549 12550 8390 atoms in group subset_Layer1 group subset_Layer1 id 12551 12552 12553 12554 12555 12556 12557 12558 12559 12560 8400 atoms in group subset_Layer1 group subset_Layer1 id 12561 12562 12563 12564 12565 12566 12567 12568 12569 12570 8410 atoms in group subset_Layer1 group subset_Layer1 id 12571 12572 12573 12574 12575 12576 12577 12578 12579 12580 8420 atoms in group subset_Layer1 group subset_Layer1 id 12581 12582 12583 12584 12585 12586 12587 12588 12589 12590 8430 atoms in group subset_Layer1 group subset_Layer1 id 12591 12592 12593 12594 12595 12596 12597 12598 12599 12600 8440 atoms in group subset_Layer1 group subset_Layer1 id 12601 12602 12603 12604 12605 12606 12607 12608 12609 12610 8450 atoms in group subset_Layer1 group subset_Layer1 id 12611 12612 12613 12614 12615 12616 12617 12618 12619 12620 8460 atoms in group subset_Layer1 group subset_Layer1 id 12621 12622 12623 12624 12625 12626 12627 12628 12629 12630 8470 atoms in group subset_Layer1 group subset_Layer1 id 12631 12632 12633 12634 12635 12636 12637 12638 12639 12640 8480 atoms in group subset_Layer1 group subset_Layer1 id 12641 12642 12643 12644 12645 12646 12647 12648 12649 12650 8490 atoms in group subset_Layer1 group subset_Layer1 id 12651 12652 12653 12654 12655 12656 12657 12658 12659 12660 8500 atoms in group subset_Layer1 group subset_Layer1 id 12661 12662 12663 12664 12665 12666 12667 12668 12669 12670 8510 atoms in group subset_Layer1 group subset_Layer1 id 12671 12672 12673 12674 12675 12676 12677 12678 12679 12680 8520 atoms in group subset_Layer1 group subset_Layer1 id 12681 12682 12683 12684 12685 12686 12687 12688 12689 12690 8530 atoms in group subset_Layer1 group subset_Layer1 id 12691 12692 12693 12694 12695 12696 12697 12698 12699 12700 8540 atoms in group subset_Layer1 group subset_Layer1 id 12701 12702 12703 12704 12705 12706 12707 12708 12709 12710 8550 atoms in group subset_Layer1 group subset_Layer1 id 12711 12712 12713 12714 12715 12716 12717 12718 12719 12720 8560 atoms in group subset_Layer1 group subset_Layer1 id 12721 12722 12723 12724 12725 12726 12727 12728 12729 12730 8570 atoms in group subset_Layer1 group subset_Layer1 id 12731 12732 12733 12734 12735 12736 12737 12738 12739 12740 8580 atoms in group subset_Layer1 group subset_Layer1 id 12741 12742 12743 12744 12745 12746 12747 12748 12749 12750 8590 atoms in group subset_Layer1 group subset_Layer1 id 12751 12752 12753 12754 12755 12756 12757 12758 12759 12760 8600 atoms in group subset_Layer1 group subset_Layer1 id 12761 12762 12763 12764 12765 12766 12767 12768 12769 12770 8610 atoms in group subset_Layer1 group subset_Layer1 id 12771 12772 12773 12774 12775 12776 12777 12778 12779 12780 8620 atoms in group subset_Layer1 group subset_Layer1 id 12781 12782 12783 12784 12785 12786 12787 12788 12789 12790 8630 atoms in group subset_Layer1 group subset_Layer1 id 12791 12792 12793 12794 12795 12796 12797 12798 12799 12800 8640 atoms in group subset_Layer1 group subset_Layer1 id 12801 12802 12803 12804 12805 12806 12807 12808 12809 12810 8650 atoms in group subset_Layer1 group subset_Layer1 id 12811 12812 12813 12814 12815 12816 12817 12818 12819 12820 8660 atoms in group subset_Layer1 group subset_Layer1 id 12821 12822 12823 12824 12825 12826 12827 12828 12829 12830 8670 atoms in group subset_Layer1 group subset_Layer1 id 12831 12832 12833 12834 12835 12836 12837 12838 12839 12840 8680 atoms in group subset_Layer1 group subset_Layer1 id 12841 12842 12843 12844 12845 12846 12847 12848 12849 12850 8690 atoms in group subset_Layer1 group subset_Layer1 id 12851 12852 12853 12854 12855 12856 12857 12858 12859 12860 8700 atoms in group subset_Layer1 group subset_Layer1 id 12861 12862 12863 12864 12865 12866 12867 12868 12869 12870 8710 atoms in group subset_Layer1 group subset_Layer1 id 12871 12872 12873 12874 12875 12876 12877 12878 12879 12880 8720 atoms in group subset_Layer1 group subset_Layer1 id 12881 12882 12883 12884 12885 12886 12887 12888 12889 12890 8730 atoms in group subset_Layer1 group subset_Layer1 id 12891 12892 12893 12894 12895 12896 12897 12898 12899 12900 8740 atoms in group subset_Layer1 group subset_Layer1 id 12901 12902 12903 12904 12905 12906 12907 12908 12909 12910 8750 atoms in group subset_Layer1 group subset_Layer1 id 12911 12912 12913 12914 12915 12916 12917 12918 12919 12920 8760 atoms in group subset_Layer1 group subset_Layer1 id 12921 12922 12923 12924 12925 12926 12927 12928 12929 12930 8770 atoms in group subset_Layer1 group subset_Layer1 id 12931 12932 12933 12934 12935 12936 12937 12938 12939 12940 8780 atoms in group subset_Layer1 group subset_Layer1 id 12941 12942 12943 12944 12945 12946 12947 12948 12949 12950 8790 atoms in group subset_Layer1 group subset_Layer1 id 12951 12952 12953 12954 12955 12956 12957 12958 12959 12960 8800 atoms in group subset_Layer1 group subset_Layer1 id 12961 12962 12963 12964 12965 12966 12967 12968 12969 12970 8810 atoms in group subset_Layer1 group subset_Layer1 id 12971 12972 12973 12974 12975 12976 12977 12978 12979 12980 8820 atoms in group subset_Layer1 group subset_Layer1 id 12981 12982 12983 12984 12985 12986 12987 12988 12989 12990 8830 atoms in group subset_Layer1 group subset_Layer1 id 12991 12992 12993 12994 12995 12996 12997 12998 12999 13000 8840 atoms in group subset_Layer1 group subset_Layer1 id 13001 13002 13003 13004 13005 13006 13007 13008 13009 13010 8850 atoms in group subset_Layer1 group subset_Layer1 id 13011 13012 13013 13014 13015 13016 13017 13018 13019 13020 8860 atoms in group subset_Layer1 group subset_Layer1 id 13021 13022 13023 13024 13025 13026 13027 13028 13029 13030 8870 atoms in group subset_Layer1 group subset_Layer1 id 13031 13032 13033 13034 13035 13036 13037 13038 13039 13040 8880 atoms in group subset_Layer1 group subset_Layer1 id 13041 13042 13043 13044 13045 13046 13047 13048 13049 13050 8890 atoms in group subset_Layer1 group subset_Layer1 id 13051 13052 13053 13054 13055 13056 13057 13058 13059 13060 8900 atoms in group subset_Layer1 group subset_Layer1 id 13061 13062 13063 13064 13065 13066 13067 13068 13069 13070 8910 atoms in group subset_Layer1 group subset_Layer1 id 13071 13072 13073 13074 13075 13076 13077 13078 13079 13080 8920 atoms in group subset_Layer1 group subset_Layer1 id 13081 13082 13083 13084 13085 13086 13087 13088 13089 13090 8930 atoms in group subset_Layer1 group subset_Layer1 id 13091 13092 13093 13094 13095 13096 13097 13098 13099 13100 8940 atoms in group subset_Layer1 group subset_Layer1 id 13101 13102 13103 13104 13105 13106 13107 13108 13109 13110 8950 atoms in group subset_Layer1 group subset_Layer1 id 13111 13112 13113 13114 13115 13116 13117 13118 13119 13120 8960 atoms in group subset_Layer1 group subset_Layer1 id 13121 13122 13123 13124 13125 13126 13127 13128 13129 13130 8970 atoms in group subset_Layer1 group subset_Layer1 id 13131 13132 13133 13134 13135 13136 13137 13138 13139 13140 8980 atoms in group subset_Layer1 group subset_Layer1 id 13141 13142 13143 13144 13145 13146 13147 13148 13149 13150 8990 atoms in group subset_Layer1 group subset_Layer1 id 13151 13152 13153 13154 13155 13156 13157 13158 13159 13160 9000 atoms in group subset_Layer1 group subset_Layer1 id 13161 13162 13163 13164 13165 13166 13167 13168 13169 13170 9010 atoms in group subset_Layer1 group subset_Layer1 id 13171 13172 13173 13174 13175 13176 13177 13178 13179 13180 9020 atoms in group subset_Layer1 group subset_Layer1 id 13181 13182 13183 13184 13185 13186 13187 13188 13189 13190 9030 atoms in group subset_Layer1 group subset_Layer1 id 13191 13192 13193 13194 13195 13196 13197 13198 13199 13200 9040 atoms in group subset_Layer1 group subset_Layer1 id 13201 13202 13203 13204 13205 13206 13207 13208 13209 13210 9050 atoms in group subset_Layer1 group subset_Layer1 id 13211 13212 13213 13214 13215 13216 13217 13218 13219 13220 9060 atoms in group subset_Layer1 group subset_Layer1 id 13221 13222 13223 13224 13225 13226 13227 13228 13229 13230 9070 atoms in group subset_Layer1 group subset_Layer1 id 13231 13232 13233 13234 13235 13236 13237 13238 13239 13240 9080 atoms in group subset_Layer1 group subset_Layer1 id 13241 13242 13243 13244 13245 13246 13247 13248 13249 13250 9090 atoms in group subset_Layer1 group subset_Layer1 id 13251 13252 13253 13254 13255 13256 13257 13258 13259 13260 9100 atoms in group subset_Layer1 group subset_Layer1 id 13261 13262 13263 13264 13265 13266 13267 13268 13269 13270 9110 atoms in group subset_Layer1 group subset_Layer1 id 13271 13272 13273 13274 13275 13276 13277 13278 13279 13280 9120 atoms in group subset_Layer1 group subset_Layer1 id 13281 13282 13283 13284 13285 13286 13287 13288 13289 13290 9130 atoms in group subset_Layer1 group subset_Layer1 id 13291 13292 13293 13294 13295 13296 13297 13298 13299 13300 9140 atoms in group subset_Layer1 group subset_Layer1 id 13301 13302 13303 13304 13305 13306 13307 13308 13309 13310 9150 atoms in group subset_Layer1 group subset_Layer1 id 13311 13312 13313 13314 13315 13316 13317 13318 13319 13320 9160 atoms in group subset_Layer1 group subset_Layer1 id 13321 13322 13323 13324 13325 13326 13327 13328 13329 13330 9170 atoms in group subset_Layer1 group subset_Layer1 id 13331 13332 13333 13334 13335 13336 13337 13338 13339 13340 9180 atoms in group subset_Layer1 group subset_Layer1 id 13341 13342 13343 13344 13345 13346 13347 13348 13349 13350 9190 atoms in group subset_Layer1 group subset_Layer1 id 13351 13352 13353 13354 13355 13356 13357 13358 13359 13360 9200 atoms in group subset_Layer1 group subset_Layer1 id 13361 13362 13363 13364 13365 13366 13367 13368 13369 13370 9210 atoms in group subset_Layer1 group subset_Layer1 id 13371 13372 13373 13374 13375 13376 13377 13378 13379 13380 9220 atoms in group subset_Layer1 group subset_Layer1 id 13381 13382 13383 13384 13385 13386 13387 13388 13389 13390 9230 atoms in group subset_Layer1 group subset_Layer1 id 13391 13392 13393 13394 13395 13396 13397 13398 13399 13400 9240 atoms in group subset_Layer1 group subset_Layer1 id 13401 13402 13403 13404 13405 13406 13407 13408 13409 13410 9250 atoms in group subset_Layer1 group subset_Layer1 id 13411 13412 13413 13414 13415 13416 13417 13418 13419 13420 9260 atoms in group subset_Layer1 group subset_Layer1 id 13421 13422 13423 13424 13425 13426 13427 13428 13429 13430 9270 atoms in group subset_Layer1 group subset_Layer1 id 13431 13432 13433 13434 13435 13436 13437 13438 13439 13440 9280 atoms in group subset_Layer1 group subset_Layer1 id 13441 13442 13443 13444 13445 13446 13447 13448 13449 13450 9290 atoms in group subset_Layer1 group subset_Layer1 id 13451 13452 13453 13454 13455 13456 13457 13458 13459 13460 9300 atoms in group subset_Layer1 group subset_Layer1 id 13461 13462 13463 13464 13465 13466 13467 13468 13469 13470 9310 atoms in group subset_Layer1 group subset_Layer1 id 13471 13472 13473 13474 13475 13476 13477 13478 13479 13480 9320 atoms in group subset_Layer1 group subset_Layer1 id 13481 13482 13483 13484 13485 13486 13487 13488 13489 13490 9330 atoms in group subset_Layer1 group subset_Layer1 id 13491 13492 13493 13494 13495 13496 13497 13498 13499 13500 9340 atoms in group subset_Layer1 group subset_Layer1 id 13501 13502 13503 13504 13505 13506 13507 13508 13509 13510 9350 atoms in group subset_Layer1 group subset_Layer1 id 13511 13512 13513 13514 13515 13516 13517 13518 13519 13520 9360 atoms in group subset_Layer1 group subset_Layer1 id 13521 13522 13523 13524 13525 13526 13527 13528 13529 13530 9370 atoms in group subset_Layer1 group subset_Layer1 id 13531 13532 13533 13534 13535 13536 13537 13538 13539 13540 9380 atoms in group subset_Layer1 group subset_Layer1 id 13541 13542 13543 13544 13545 13546 13547 13548 13549 13550 9390 atoms in group subset_Layer1 group subset_Layer1 id 13551 13552 13553 13554 13555 13556 13557 13558 13559 13560 9400 atoms in group subset_Layer1 group subset_Layer1 id 13561 13562 13563 13564 13565 13566 13567 13568 13569 13570 9410 atoms in group subset_Layer1 group subset_Layer1 id 13571 13572 13573 13574 13575 13576 13577 13578 13579 13580 9420 atoms in group subset_Layer1 group subset_Layer1 id 13581 13582 13583 13584 13585 13586 13587 13588 13589 13590 9430 atoms in group subset_Layer1 group subset_Layer1 id 13591 13592 13593 13594 13595 13596 13597 13598 13599 13600 9440 atoms in group subset_Layer1 group subset_Layer1 id 13601 13602 13603 13604 13605 13606 13607 13608 13609 13610 9450 atoms in group subset_Layer1 group subset_Layer1 id 13611 13612 13613 13614 13615 13616 13617 13618 13619 13620 9460 atoms in group subset_Layer1 group subset_Layer1 id 13621 13622 13623 13624 13625 13626 13627 13628 13629 13630 9470 atoms in group subset_Layer1 group subset_Layer1 id 13631 13632 13633 13634 13635 13636 13637 13638 13639 13640 9480 atoms in group subset_Layer1 group subset_Layer1 id 13641 13642 13643 13644 13645 13646 13647 13648 13649 13650 9490 atoms in group subset_Layer1 group subset_Layer1 id 13651 13652 13653 13654 13655 13656 13657 13658 13659 13660 9500 atoms in group subset_Layer1 group subset_Layer1 id 13661 13662 13663 13664 13665 13666 13667 13668 13669 13670 9510 atoms in group subset_Layer1 group subset_Layer1 id 13671 13672 13673 13674 13675 13676 13677 13678 13679 13680 9520 atoms in group subset_Layer1 group subset_Layer1 id 13681 13682 13683 13684 13685 13686 13687 13688 13689 13690 9530 atoms in group subset_Layer1 group subset_Layer1 id 13691 13692 13693 13694 13695 13696 13697 13698 13699 13700 9540 atoms in group subset_Layer1 group subset_Layer1 id 13701 13702 13703 13704 13705 13706 13707 13708 13709 13710 9550 atoms in group subset_Layer1 group subset_Layer1 id 13711 13712 13713 13714 13715 13716 13717 13718 13719 13720 9560 atoms in group subset_Layer1 group subset_Layer1 id 13721 13722 13723 13724 13725 13726 13727 13728 13729 13730 9570 atoms in group subset_Layer1 group subset_Layer1 id 13731 13732 13733 13734 13735 13736 13737 13738 13739 13740 9580 atoms in group subset_Layer1 group subset_Layer1 id 13741 13742 13743 13744 13745 13746 13747 13748 13749 13750 9590 atoms in group subset_Layer1 group subset_Layer1 id 13751 13752 13753 13754 13755 13756 13757 13758 13759 13760 9600 atoms in group subset_Layer1 group subset_Layer1 id 13761 13762 13763 13764 13765 13766 13767 13768 13769 13770 9610 atoms in group subset_Layer1 group subset_Layer1 id 13771 13772 13773 13774 13775 13776 13777 13778 13779 13780 9620 atoms in group subset_Layer1 group subset_Layer1 id 13781 13782 13783 13784 13785 13786 13787 13788 13789 13790 9630 atoms in group subset_Layer1 group subset_Layer1 id 13791 13792 13793 13794 13795 13796 13797 13798 13799 13800 9640 atoms in group subset_Layer1 group subset_Layer1 id 13801 13802 13803 13804 13805 13806 13807 13808 13809 13810 9650 atoms in group subset_Layer1 group subset_Layer1 id 13811 13812 13813 13814 13815 13816 13817 13818 13819 13820 9660 atoms in group subset_Layer1 group subset_Layer1 id 13821 13822 13823 13824 13825 13826 13827 13828 13829 13830 9670 atoms in group subset_Layer1 group subset_Layer1 id 13831 13832 13833 13834 13835 13836 13837 13838 13839 13840 9680 atoms in group subset_Layer1 group subset_Layer1 id 13841 13842 13843 13844 13845 13846 13847 13848 13849 13850 9690 atoms in group subset_Layer1 group subset_Layer1 id 13851 13852 13853 13854 13855 13856 13857 13858 13859 13860 9700 atoms in group subset_Layer1 group subset_Layer1 id 13861 13862 13863 13864 13865 13866 13867 13868 13869 13870 9710 atoms in group subset_Layer1 group subset_Layer1 id 13871 13872 13873 13874 13875 13876 13877 13878 13879 13880 9720 atoms in group subset_Layer1 group subset_Layer1 id 13881 13882 13883 13884 13885 13886 13887 13888 13889 13890 9730 atoms in group subset_Layer1 group subset_Layer1 id 13891 13892 13893 13894 13895 13896 13897 13898 13899 13900 9740 atoms in group subset_Layer1 group subset_Layer1 id 13901 13902 13903 13904 13905 13906 13907 13908 13909 13910 9750 atoms in group subset_Layer1 group subset_Layer1 id 13911 13912 13913 13914 13915 13916 13917 13918 13919 13920 9760 atoms in group subset_Layer1 group subset_Layer1 id 13921 13922 13923 13924 13925 13926 13927 13928 13929 13930 9770 atoms in group subset_Layer1 group subset_Layer1 id 13931 13932 13933 13934 13935 13936 13937 13938 13939 13940 9780 atoms in group subset_Layer1 group subset_Layer1 id 13941 13942 13943 13944 13945 13946 13947 13948 13949 13950 9790 atoms in group subset_Layer1 group subset_Layer1 id 13951 13952 13953 13954 13955 13956 13957 13958 13959 13960 9800 atoms in group subset_Layer1 group subset_Layer1 id 13961 13962 13963 13964 13965 13966 13967 13968 13969 13970 9810 atoms in group subset_Layer1 group subset_Layer1 id 13971 13972 13973 13974 13975 13976 13977 13978 13979 13980 9820 atoms in group subset_Layer1 group subset_Layer1 id 13981 13982 13983 13984 13985 13986 13987 13988 13989 13990 9830 atoms in group subset_Layer1 group subset_Layer1 id 13991 13992 13993 13994 13995 13996 13997 13998 13999 14000 9840 atoms in group subset_Layer1 group subset_Layer1 id 14001 14002 14003 14004 14005 14006 14007 14008 14009 14010 9850 atoms in group subset_Layer1 group subset_Layer1 id 14011 14012 14013 14014 14015 14016 14017 14018 14019 14020 9860 atoms in group subset_Layer1 group subset_Layer1 id 14021 14022 14023 14024 14025 14026 14027 14028 14029 14030 9870 atoms in group subset_Layer1 group subset_Layer1 id 14031 14032 14033 14034 14035 14036 14037 14038 14039 14040 9880 atoms in group subset_Layer1 group subset_Layer1 id 14041 14042 14043 14044 14045 14046 14047 14048 14049 14050 9890 atoms in group subset_Layer1 group subset_Layer1 id 14051 14052 14053 14054 14055 14056 14057 14058 14059 14060 9900 atoms in group subset_Layer1 group subset_Layer1 id 14061 14062 14063 14064 14065 14066 14067 14068 14069 14070 9910 atoms in group subset_Layer1 group subset_Layer1 id 14071 14072 14073 14074 14075 14076 14077 14078 14079 14080 9920 atoms in group subset_Layer1 group subset_Layer1 id 14081 14082 14083 14084 14085 14086 14087 14088 14089 14090 9930 atoms in group subset_Layer1 group subset_Layer1 id 14091 14092 14093 14094 14095 14096 14097 14098 14099 14100 9940 atoms in group subset_Layer1 group subset_Layer1 id 14101 14102 14103 14104 14105 14106 14107 14108 14109 14110 9950 atoms in group subset_Layer1 group subset_Layer1 id 14111 14112 14113 14114 14115 14116 14117 14118 14119 14120 9960 atoms in group subset_Layer1 group subset_Layer1 id 14121 14122 14123 14124 14125 14126 14127 14128 14129 14130 9970 atoms in group subset_Layer1 group subset_Layer1 id 14131 14132 14133 14134 14135 14136 14137 14138 14139 14140 9980 atoms in group subset_Layer1 group subset_Layer1 id 14141 14142 14143 14144 14145 14146 14147 14148 14149 14150 9990 atoms in group subset_Layer1 group subset_Layer1 id 14151 14152 14153 14154 14155 14156 14157 14158 14159 14160 10000 atoms in group subset_Layer1 group subset_Layer1 id 14161 14162 14163 14164 14165 14166 14167 14168 14169 14170 10010 atoms in group subset_Layer1 group subset_Layer1 id 14171 10011 atoms in group subset_Layer1 log 2.2_Minimization.out #------------------------------------------------------------------------------- # Stage 2.2: Minimization #------------------------------------------------------------------------------- min_style cg min_modify dmax 0.05 line fast reset_timestep 0 thermo_style custom step fmax fnorm press vol v_sysdensity v_sxx v_syy v_szz v_syz v_sxz v_sxy pe v_cella v_cellb v_cellc v_cellalpha v_cellbeta v_cellgamma v_sum_fx v_sum_fy v_sum_fz WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:888) dump sci all custom 3000 2.2.xyz id mol type q xs ys zs thermo 100 fix 2_2_fixed fixed setforce 0.0 0.0 0.0 minimize 0.0 1.0 3000 10000 PPPM initialization ... WARNING: System is not charge neutral, net charge = 0.0482 (../kspace.cpp:325) using 12-bit tables for long-range coulomb (../kspace.cpp:340) G vector (1/distance) = 0.25737673 grid = 32 32 72 stencil order = 5 estimated absolute RMS force accuracy = 0.0035513047 estimated relative force accuracy = 1.0694649e-05 using double precision KISS FFT 3d grid and FFT values/proc = 8464 3072 generated 0 of 36 mixed pair_coeff terms from sixthpower mixing rule Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 6 6 16 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/class2/coul/long, perpetual attributes: half, newton on pair build: half/bin/newton stencil: half/bin/3d bin: standard Setting up cg style minimization ... Unit style : real Current step : 0 Per MPI rank memory allocation (min/avg/max) = 13.48 | 13.75 | 13.93 Mbytes Step Fmax Fnorm Press Volume v_sysdensity v_sxx v_syy v_szz v_syz v_sxz v_sxy PotEng v_cella v_cellb v_cellc v_cellalpha v_cellbeta v_cellgamma v_sum_fx v_sum_fy v_sum_fz 0 734.86363 3598.5834 1000860.5 164285.93 1.4452783 -1000910.3 -1031159.3 -970511.93 -2704.2637 4639.1224 -13622.66 220148.21 38.66684 38.6954 109.8 1.5707963 1.5707963 1.5707963 46.906462 3.1587774 383.8851 2 5793.5493 13613.804 980167.85 164285.93 1.4452783 -980806.51 -1009007.1 -950689.99 -2782.0553 5229.342 -13669.19 215454.59 38.66684 38.6954 109.8 1.5707963 1.5707963 1.5707963 47.855799 -4.597965 276.37237 Loop time of 0.787923 on 32 procs for 2 steps with 14171 atoms 98.0% CPU use with 32 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = linesearch alpha is zero Energy initial, next-to-last, final = 220148.20593334 217016.379467569 215454.586129531 Force two-norm initial, final = 3598.5834 13613.804 Force max component initial, final = 734.86363 5793.5493 Final line search alpha, max atom move = 4.0733837e-05 0.23599349 Iterations, force evaluations = 2 53 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.25579 | 0.33944 | 0.48865 | 10.4 | 43.08 Bond | 0.00024095 | 0.0012296 | 0.001637 | 1.1 | 0.16 Kspace | 0.23982 | 0.3918 | 0.47711 | 9.9 | 49.73 Neigh | 0.013594 | 0.013731 | 0.013821 | 0.1 | 1.74 Comm | 0.029366 | 0.033614 | 0.037108 | 1.3 | 4.27 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 6.7815e-05 | 0.00015025 | 0.0003372 | 0.0 | 0.02 Other | | 0.007953 | | | 1.01 Nlocal: 442.844 ave 491 max 378 min Histogram: 4 4 0 3 2 1 4 2 2 10 Nghost: 7666.62 ave 8244 max 6802 min Histogram: 4 0 0 4 4 4 4 2 2 8 Neighs: 221088 ave 266176 max 173354 min Histogram: 9 1 4 2 0 0 1 1 5 9 Total # of neighbors = 7074832 Ave neighs/atom = 499.24719 Ave special neighs/atom = 1.685555 Neighbor list builds = 1 Dangerous builds = 0 undump sci unfix 2_2_fixed log 2.3_Velocities.out #------------------------------------------------------------------------------- # Stage 2.3: Set the initial velocities for $T #------------------------------------------------------------------------------- velocity all create 298.2 72489 dist gaussian mom yes rot no velocity fixed set 0.0 0.0 0.0 log 2.4_NVT.out #------------------------------------------------------------------------------- # Stage 2.4: NVT integration for 1 ns with a timestep of 1 fs # Temperature 298.2 K #------------------------------------------------------------------------------- # Fix shake is needed for water in pcff+ fix shaken all shake .0001 20 50000 a 2 b 2 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 0 = # of size 4 clusters 3441 = # of frozen angles find clusters CPU = 0.001 seconds reset_timestep 0 thermo_style custom step v_time press vol v_sysdensity temp ebond eangle edihed eimp evdwl ecoul etail elong pe ke thermo ${Nthermo} thermo 0 fix 1 movable nvt temp 298.2 298.2 100 drag 0.0 fix 2 movable ave/time 1 100000 100000 v_time c_thermo_temp c_thermo_press v_sysvol v_sysdensity v_etotal v_pe v_ke v_evdwl v_coulomb v_sxx v_syy v_szz v_syz v_sxz v_sxy file 2.4_averages.txt off 1 fix 3 movable ave/time 100 1 100 v_time c_thermo_temp c_thermo_press v_sysvol v_sysdensity v_etotal v_pe v_ke v_evdwl v_coulomb v_sxx v_syy v_szz v_syz v_sxz v_sxy file 2.4_instantaneous.txt fix 4 fixed setforce 0.0 0.0 0.0 restart 1000000 2.4.restart dump sci all custom 100000 2.4.xyz id mol type q xs ys zs timestep 1 run 1000000 PPPM initialization ... using 12-bit tables for long-range coulomb (../kspace.cpp:340) G vector (1/distance) = 0.25737673 grid = 32 32 72 stencil order = 5 estimated absolute RMS force accuracy = 0.0035513047 estimated relative force accuracy = 1.0694649e-05 using double precision KISS FFT 3d grid and FFT values/proc = 8464 3072 generated 0 of 36 mixed pair_coeff terms from sixthpower mixing rule Setting up Verlet run ... Unit style : real Current step : 0 Time step : 1 SHAKE stats (type/ave/delta/count) on step 0 2 0.999407 0.606424 10323 2 100.38 15.4573 3441 Per MPI rank memory allocation (min/avg/max) = 13.23 | 13.5 | 13.68 Mbytes Step v_time Press Volume v_sysdensity Temp E_bond E_angle E_dihed E_impro E_vdwl E_coul E_tail E_long PotEng KinEng 0 1e-06 984081.82 164285.93 1.4452783 414.31516 288.32315 408.15406 0 0 820592.52 -189734.99 -442.69341 -420695.04 210858.97 10943.289 SHAKE stats (type/ave/delta/count) on step 50000 2 0.97 1.2697e-06 10323 2 103.7 0.000102621 3441 SHAKE stats (type/ave/delta/count) on step 100000 2 0.97 1.12359e-06 10323 2 103.7 9.76419e-05 3441 SHAKE stats (type/ave/delta/count) on step 150000 2 0.97 1.33251e-06 10323 2 103.7 9.77199e-05 3441 SHAKE stats (type/ave/delta/count) on step 200000 2 0.97 1.56308e-06 10323 2 103.7 9.79708e-05 3441 SHAKE stats (type/ave/delta/count) on step 250000 2 0.97 1.19402e-06 10323 2 103.7 9.44309e-05 3441 SHAKE stats (type/ave/delta/count) on step 300000 2 0.97 1.30682e-06 10323 2 103.7 0.00010372 3441 SHAKE stats (type/ave/delta/count) on step 350000 2 0.97 1.20309e-06 10323 2 103.7 8.44864e-05 3441 SHAKE stats (type/ave/delta/count) on step 400000 2 0.97 1.44966e-06 10323 2 103.7 0.00011004 3441 SHAKE stats (type/ave/delta/count) on step 450000 2 0.97 1.40356e-06 10323 2 103.7 0.000101953 3441 SHAKE stats (type/ave/delta/count) on step 500000 2 0.97 1.31846e-06 10323 2 103.7 9.41087e-05 3441 SHAKE stats (type/ave/delta/count) on step 550000 2 0.97 1.35559e-06 10323 2 103.7 9.99473e-05 3441 SHAKE stats (type/ave/delta/count) on step 600000 2 0.97 1.26089e-06 10323 2 103.7 9.54783e-05 3441 SHAKE stats (type/ave/delta/count) on step 650000 2 0.97 1.11892e-06 10323 2 103.7 9.40728e-05 3441 SHAKE stats (type/ave/delta/count) on step 700000 2 0.97 1.26579e-06 10323 2 103.7 0.000100049 3441 SHAKE stats (type/ave/delta/count) on step 750000 2 0.97 1.24078e-06 10323 2 103.7 9.40954e-05 3441 SHAKE stats (type/ave/delta/count) on step 800000 2 0.97 1.31843e-06 10323 2 103.7 9.81778e-05 3441 SHAKE stats (type/ave/delta/count) on step 850000 2 0.97 1.2893e-06 10323 2 103.7 0.000105089 3441 SHAKE stats (type/ave/delta/count) on step 900000 2 0.97 1.49089e-06 10323 2 103.7 9.71706e-05 3441 SHAKE stats (type/ave/delta/count) on step 950000 2 0.97 1.18546e-06 10323 2 103.7 9.78055e-05 3441 SHAKE stats (type/ave/delta/count) on step 1000000 2 0.97 1.09248e-06 10323 2 103.7 8.95998e-05 3441 1000000 1000000 984533.79 164285.93 1.4452783 296.84954 234.26692 415.20831 0 0 817742.73 -178253.81 -442.69341 -422538.91 217599.49 7840.6744 Loop time of 10929.2 on 32 procs for 1000000 steps with 14171 atoms Performance: 7.905 ns/day, 3.036 hours/ns, 91.498 timesteps/s 99.0% CPU use with 32 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 5243.1 | 6143.7 | 6826.2 | 601.9 | 56.21 Bond | 1.529 | 6.6423 | 17.98 | 216.7 | 0.06 Kspace | 2495.7 | 3184.3 | 4080.9 | 834.9 | 29.14 Neigh | 389.52 | 389.89 | 390.28 | 1.0 | 3.57 Comm | 512.34 | 535.63 | 551.81 | 43.1 | 4.90 Output | 0.01691 | 0.019948 | 0.022833 | 1.3 | 0.00 Modify | 628.35 | 639.39 | 659.28 | 34.8 | 5.85 Other | | 29.59 | | | 0.27 Nlocal: 442.844 ave 472 max 408 min Histogram: 2 0 8 1 3 4 4 4 0 6 Nghost: 7656.03 ave 7875 max 7487 min Histogram: 4 7 0 4 3 2 4 4 2 2 Neighs: 219660 ave 241563 max 193019 min Histogram: 4 3 1 3 3 0 6 3 3 6 Total # of neighbors = 7029124 Ave neighs/atom = 496.02173 Ave special neighs/atom = 1.685555 Neighbor list builds = 50501 Dangerous builds = 0 undump sci restart 0 dump sci all custom 1000000 2.4.xyz id mol type q xs ys zs run 0 PPPM initialization ... using 12-bit tables for long-range coulomb (../kspace.cpp:340) G vector (1/distance) = 0.25737673 grid = 32 32 72 stencil order = 5 estimated absolute RMS force accuracy = 0.0035513047 estimated relative force accuracy = 1.0694649e-05 using double precision KISS FFT 3d grid and FFT values/proc = 8464 3072 generated 0 of 36 mixed pair_coeff terms from sixthpower mixing rule Setting up Verlet run ... Unit style : real Current step : 1000000 Time step : 1 SHAKE stats (type/ave/delta/count) on step 1000000 2 0.97 1.09248e-06 10323 2 103.7 8.95998e-05 3441 Per MPI rank memory allocation (min/avg/max) = 13.59 | 13.66 | 13.75 Mbytes Step v_time Press Volume v_sysdensity Temp E_bond E_angle E_dihed E_impro E_vdwl E_coul E_tail E_long PotEng KinEng 1000000 1000000 984534.47 164285.93 1.4452783 296.84954 234.26692 415.20831 0 0 817742.73 -178253.81 -442.69341 -422538.91 217599.49 7840.6744 Loop time of 8.34431e-06 on 32 procs for 0 steps with 14171 atoms 107.1% CPU use with 32 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Bond | 0 | 0 | 0 | 0.0 | 0.00 Kspace | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 8.344e-06 | | |100.00 Nlocal: 442.844 ave 472 max 408 min Histogram: 2 0 8 1 3 4 4 4 0 6 Nghost: 7656.03 ave 7875 max 7487 min Histogram: 4 7 0 4 3 2 4 4 2 2 Neighs: 219660 ave 241563 max 193019 min Histogram: 4 3 1 3 3 0 6 3 3 6 Total # of neighbors = 7029124 Ave neighs/atom = 496.02173 Ave special neighs/atom = 1.685555 Neighbor list builds = 0 Dangerous builds = 0 undump sci unfix 1 unfix 2 unfix 3 unfix 4 unfix shaken log 2.5_NVT.out #------------------------------------------------------------------------------- # Stage 2.5: NVT integration for 3 ns with a timestep of 1 fs # Temperature 298.2 K #------------------------------------------------------------------------------- # Fix shake is needed for water in pcff+ fix shaken all shake .0001 20 50000 a 2 b 2 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 0 = # of size 4 clusters 3441 = # of frozen angles find clusters CPU = 0.001 seconds reset_timestep 0 thermo_style custom step v_time press vol v_sysdensity temp ebond eangle edihed eimp evdwl ecoul etail elong pe ke thermo ${Nthermo} thermo 0 fix 1 movable nvt temp 298.2 298.2 100 drag 0.0 fix 2 movable ave/time 1 300000 300000 v_time c_thermo_temp c_thermo_press v_sysvol v_sysdensity v_etotal v_pe v_ke v_evdwl v_coulomb v_sxx v_syy v_szz v_syz v_sxz v_sxy file 2.5_averages.txt off 1 fix 3 movable ave/time 300 1 300 v_time c_thermo_temp c_thermo_press v_sysvol v_sysdensity v_etotal v_pe v_ke v_evdwl v_coulomb v_sxx v_syy v_szz v_syz v_sxz v_sxy file 2.5_instantaneous.txt fix 4 fixed setforce 0.0 0.0 0.0 restart 3000000 2.5.restart dump trj all custom 30000 2.5.Trajectory.xyz id mol type q xs ys zs fix trjE all ave/time 30000 1 30000 v_etotal v_pe v_ke file 2.5.energies.txt dump sci all custom 300000 2.5.xyz id mol type q xs ys zs group rdfgroup_1 union subset_Li_1 subset_Cl_1 443 atoms in group rdfgroup_1 compute rdf_1 rdfgroup_1 rdf 200 4 1 fix rdf_1 rdfgroup_1 ave/time 1 30000 30000 c_rdf_1[*] file 2.5_PairCorrelation_all_1.out mode vector group rdfgroup_3 union subset_Li_1 subset_O(SO4)_1 147 atoms in group rdfgroup_3 compute rdf_3 rdfgroup_3 rdf 200 4 8 fix rdf_3 rdfgroup_3 ave/time 1 30000 30000 c_rdf_3[*] file 2.5_PairCorrelation_all_3.out mode vector group rdfgroup_4 union subset_Li_1 subset_O(H2O)_1 3056 atoms in group rdfgroup_4 compute rdf_4 rdfgroup_4 rdf 200 4 7 fix rdf_4 rdfgroup_4 ave/time 1 30000 30000 c_rdf_4[*] file 2.5_PairCorrelation_all_4.out mode vector group rdfgroup_6 union subset_Na_1 subset_Cl_1 435 atoms in group rdfgroup_6 compute rdf_6 rdfgroup_6 rdf 200 6 1 fix rdf_6 rdfgroup_6 ave/time 1 30000 30000 c_rdf_6[*] file 2.5_PairCorrelation_all_6.out mode vector group rdfgroup_9 union subset_Na_1 subset_O(SO4)_1 139 atoms in group rdfgroup_9 compute rdf_9 rdfgroup_9 rdf 200 6 8 fix rdf_9 rdfgroup_9 ave/time 1 30000 30000 c_rdf_9[*] file 2.5_PairCorrelation_all_9.out mode vector group rdfgroup_10 union subset_Na_1 subset_O(H2O)_1 3048 atoms in group rdfgroup_10 compute rdf_10 rdfgroup_10 rdf 200 6 7 fix rdf_10 rdfgroup_10 ave/time 1 30000 30000 c_rdf_10[*] file 2.5_PairCorrelation_all_10.out mode vector group rdfgroup_12 union subset_K_1 subset_Cl_1 466 atoms in group rdfgroup_12 compute rdf_12 rdfgroup_12 rdf 200 3 1 fix rdf_12 rdfgroup_12 ave/time 1 30000 30000 c_rdf_12[*] file 2.5_PairCorrelation_all_12.out mode vector group rdfgroup_14 union subset_K_1 subset_O(SO4)_1 170 atoms in group rdfgroup_14 compute rdf_14 rdfgroup_14 rdf 200 3 8 fix rdf_14 rdfgroup_14 ave/time 1 30000 30000 c_rdf_14[*] file 2.5_PairCorrelation_all_14.out mode vector group rdfgroup_15 union subset_K_1 subset_O(H2O)_1 3079 atoms in group rdfgroup_15 compute rdf_15 rdfgroup_15 rdf 200 3 7 fix rdf_15 rdfgroup_15 ave/time 1 30000 30000 c_rdf_15[*] file 2.5_PairCorrelation_all_15.out mode vector group rdfgroup_19 union subset_Mg_1 subset_Cl_1 658 atoms in group rdfgroup_19 compute rdf_19 rdfgroup_19 rdf 100 5 1 fix rdf_19 rdfgroup_19 ave/time 1 300000 300000 c_rdf_19[*] file 2.5_PairCorrelation_all_19.out mode vector group rdfgroup_20 union subset_Mg_1 subset_O(SO4)_1 362 atoms in group rdfgroup_20 compute rdf_20 rdfgroup_20 rdf 100 5 8 fix rdf_20 rdfgroup_20 ave/time 1 300000 300000 c_rdf_20[*] file 2.5_PairCorrelation_all_20.out mode vector group rdfgroup_21 union subset_Mg_1 subset_O(H2O)_1 3271 atoms in group rdfgroup_21 compute rdf_21 rdfgroup_21 rdf 100 5 7 fix rdf_21 rdfgroup_21 ave/time 1 300000 300000 c_rdf_21[*] file 2.5_PairCorrelation_all_21.out mode vector group rdfgroup_23 union subset_Cl_1 subset_H(H2O)_1 6522 atoms in group rdfgroup_23 compute rdf_23 rdfgroup_23 rdf 100 1 2 fix rdf_23 rdfgroup_23 ave/time 1 300000 300000 c_rdf_23[*] file 2.5_PairCorrelation_all_23.out mode vector group rdfgroup_24 union subset_Cl_1 subset_O(H2O)_1 3477 atoms in group rdfgroup_24 compute rdf_24 rdfgroup_24 rdf 100 1 7 fix rdf_24 rdfgroup_24 ave/time 1 300000 300000 c_rdf_24[*] file 2.5_PairCorrelation_all_24.out mode vector group rdfgroup_25 union subset_Cl_1 subset_O(SO4)_1 568 atoms in group rdfgroup_25 compute rdf_25 rdfgroup_25 rdf 100 1 8 fix rdf_25 rdfgroup_25 ave/time 1 300000 300000 c_rdf_25[*] file 2.5_PairCorrelation_all_25.out mode vector group rdfgroup_26 union subset_S(SO4)_1 subset_H(H2O)_1 6124 atoms in group rdfgroup_26 compute rdf_26 rdfgroup_26 rdf 100 9 2 fix rdf_26 rdfgroup_26 ave/time 1 300000 300000 c_rdf_26[*] file 2.5_PairCorrelation_all_26.out mode vector group rdfgroup_27 union subset_S(SO4)_1 subset_O(H2O)_1 3079 atoms in group rdfgroup_27 compute rdf_27 rdfgroup_27 rdf 100 9 7 fix rdf_27 rdfgroup_27 ave/time 1 300000 300000 c_rdf_27[*] file 2.5_PairCorrelation_all_27.out mode vector group rdfgroup_28 union subset_O(SO4)_1 subset_H(H2O)_1 6226 atoms in group rdfgroup_28 compute rdf_28 rdfgroup_28 rdf 100 8 2 fix rdf_28 rdfgroup_28 ave/time 1 300000 300000 c_rdf_28[*] file 2.5_PairCorrelation_all_28.out mode vector compute group_29 subset_Layer1 group/group subset_Layer2 pair yes kspace yes fix group_29 all ave/time 1 100 100 c_group_29 file 2.5_GroupInteractions_Layer1_Layer2_29.out compute group_30 subset_Layer1 group/group subset_Layer2 pair yes kspace no fix group_30 all ave/time 1 100 100 c_group_30 file 2.5_GroupInteractions_Layer1_Layer2_30.out compute group_31 subset_Layer1 group/group subset_Layer2 pair no kspace yes fix group_31 all ave/time 1 100 100 c_group_31 file 2.5_GroupInteractions_Layer1_Layer2_31.out timestep 1 run 3000000 PPPM initialization ... using 12-bit tables for long-range coulomb (../kspace.cpp:340) G vector (1/distance) = 0.25737673 grid = 32 32 72 stencil order = 5 estimated absolute RMS force accuracy = 0.0035513047 estimated relative force accuracy = 1.0694649e-05 using double precision KISS FFT 3d grid and FFT values/proc = 8464 3072 generated 0 of 36 mixed pair_coeff terms from sixthpower mixing rule WARNING: Both groups in compute group/group have a net charge; the Kspace boundary correction to energy will be non-zero (../compute_group_group.cpp:140) WARNING: Both groups in compute group/group have a net charge; the Kspace boundary correction to energy will be non-zero (../compute_group_group.cpp:140) Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 6 6 16 21 neighbor lists, perpetual/occasional/extra = 1 20 0 (1) pair lj/class2/coul/long, perpetual attributes: half, newton on pair build: half/bin/newton stencil: half/bin/3d bin: standard (2) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (3) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (4) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (5) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (6) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (7) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (8) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (9) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (10) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (11) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (12) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (13) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (14) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (15) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (16) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (17) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (18) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (19) compute rdf, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (20) compute group/group, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none (21) compute group/group, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none Setting up Verlet run ... Unit style : real Current step : 0 Time step : 1 SHAKE stats (type/ave/delta/count) on step 0 2 0.97 6.67355e-13 10323 2 103.7 7.59854e-11 3441 Per MPI rank memory allocation (min/avg/max) = 14.61 | 14.91 | 15.02 Mbytes Step v_time Press Volume v_sysdensity Temp E_bond E_angle E_dihed E_impro E_vdwl E_coul E_tail E_long PotEng KinEng 0 1e-06 984534.47 164285.93 1.4452783 296.84954 234.26692 415.20831 0 0 817742.73 -178253.78 -442.69341 -422538.91 217599.52 7840.6744 SHAKE stats (type/ave/delta/count) on step 50000 2 0.97 1.28339e-06 10323 2 103.7 9.37529e-05 3441 SHAKE stats (type/ave/delta/count) on step 100000 2 0.97 1.15835e-06 10323 2 103.7 0.000103986 3441 SHAKE stats (type/ave/delta/count) on step 150000 2 0.97 1.25105e-06 10323 2 103.7 9.29784e-05 3441 SHAKE stats (type/ave/delta/count) on step 200000 2 0.97 1.13559e-06 10323 2 103.7 9.01314e-05 3441 SHAKE stats (type/ave/delta/count) on step 250000 2 0.97 1.17669e-06 10323 2 103.7 9.20351e-05 3441 SHAKE stats (type/ave/delta/count) on step 300000 2 0.97 1.37099e-06 10323 2 103.7 9.98343e-05 3441 SHAKE stats (type/ave/delta/count) on step 350000 2 0.97 1.55171e-06 10323 2 103.7 0.000125699 3441 SHAKE stats (type/ave/delta/count) on step 400000 2 0.97 1.44456e-06 10323 2 103.7 0.000103689 3441 SHAKE stats (type/ave/delta/count) on step 450000 2 0.97 1.15045e-06 10323 2 103.7 8.86991e-05 3441 SHAKE stats (type/ave/delta/count) on step 500000 2 0.97 1.44955e-06 10323 2 103.7 0.000116507 3441 SHAKE stats (type/ave/delta/count) on step 550000 2 0.97 1.25294e-06 10323 2 103.7 9.32317e-05 3441 SHAKE stats (type/ave/delta/count) on step 600000 2 0.97 1.08632e-06 10323 2 103.7 9.17261e-05 3441 SHAKE stats (type/ave/delta/count) on step 650000 2 0.97 1.40365e-06 10323 2 103.7 9.76328e-05 3441 SHAKE stats (type/ave/delta/count) on step 700000 2 0.97 1.42556e-06 10323 2 103.7 9.92166e-05 3441 SHAKE stats (type/ave/delta/count) on step 750000 2 0.97 1.11995e-06 10323 2 103.7 9.06842e-05 3441 SHAKE stats (type/ave/delta/count) on step 800000 2 0.97 1.23709e-06 10323 2 103.7 9.666e-05 3441 SHAKE stats (type/ave/delta/count) on step 850000 2 0.97 1.1384e-06 10323 2 103.7 9.73796e-05 3441 SHAKE stats (type/ave/delta/count) on step 900000 2 0.97 1.41833e-06 10323 2 103.7 9.95963e-05 3441 SHAKE stats (type/ave/delta/count) on step 950000 2 0.97 1.51573e-06 10323 2 103.7 9.99991e-05 3441 SHAKE stats (type/ave/delta/count) on step 1000000 2 0.97 1.99996e-06 10323 2 103.7 0.000116696 3441 SHAKE stats (type/ave/delta/count) on step 1050000 2 0.97 1.35543e-06 10323 2 103.7 0.000102849 3441 SHAKE stats (type/ave/delta/count) on step 1100000 2 0.97 1.36804e-06 10323 2 103.7 9.82115e-05 3441 SHAKE stats (type/ave/delta/count) on step 1150000 2 0.97 1.14227e-06 10323 2 103.7 8.94543e-05 3441 SHAKE stats (type/ave/delta/count) on step 1200000 2 0.97 1.31778e-06 10323 2 103.7 0.000115891 3441 SHAKE stats (type/ave/delta/count) on step 1250000 2 0.97 1.73179e-06 10323 2 103.7 0.000119398 3441 SHAKE stats (type/ave/delta/count) on step 1300000 2 0.97 1.16399e-06 10323 2 103.7 9.00008e-05 3441 SHAKE stats (type/ave/delta/count) on step 1350000 2 0.97 1.06618e-06 10323 2 103.7 9.62536e-05 3441 SHAKE stats (type/ave/delta/count) on step 1400000 2 0.97 1.6602e-06 10323 2 103.7 0.000124661 3441 SHAKE stats (type/ave/delta/count) on step 1450000 2 0.97 1.17412e-06 10323 2 103.7 9.48248e-05 3441 SHAKE stats (type/ave/delta/count) on step 1500000 2 0.97 1.55457e-06 10323 2 103.7 0.000106769 3441 SHAKE stats (type/ave/delta/count) on step 1550000 2 0.97 1.75515e-06 10323 2 103.7 0.000119974 3441 SHAKE stats (type/ave/delta/count) on step 1600000 2 0.97 1.53634e-06 10323 2 103.7 9.88469e-05 3441 SHAKE stats (type/ave/delta/count) on step 1650000 2 0.97 1.32871e-06 10323 2 103.7 9.42783e-05 3441 SHAKE stats (type/ave/delta/count) on step 1700000 2 0.97 1.55897e-06 10323 2 103.7 0.000111071 3441 SHAKE stats (type/ave/delta/count) on step 1750000 2 0.97 1.31655e-06 10323 2 103.7 8.81575e-05 3441 SHAKE stats (type/ave/delta/count) on step 1800000 2 0.97 1.02797e-06 10323 2 103.7 9.42351e-05 3441 SHAKE stats (type/ave/delta/count) on step 1850000 2 0.97 1.15859e-06 10323 2 103.7 0.000103432 3441 SHAKE stats (type/ave/delta/count) on step 1900000 2 0.97 1.5209e-06 10323 2 103.7 0.000111167 3441 SHAKE stats (type/ave/delta/count) on step 1950000 2 0.97 1.37765e-06 10323 2 103.7 9.07338e-05 3441 SHAKE stats (type/ave/delta/count) on step 2000000 2 0.97 1.29952e-06 10323 2 103.7 9.77363e-05 3441 SHAKE stats (type/ave/delta/count) on step 2050000 2 0.97 1.15949e-06 10323 2 103.7 9.53942e-05 3441 SHAKE stats (type/ave/delta/count) on step 2100000 2 0.97 1.14049e-06 10323 2 103.7 8.85533e-05 3441 SHAKE stats (type/ave/delta/count) on step 2150000 2 0.97 1.44745e-06 10323 2 103.7 0.000100462 3441 SHAKE stats (type/ave/delta/count) on step 2200000 2 0.97 1.21089e-06 10323 2 103.7 0.000100368 3441 SHAKE stats (type/ave/delta/count) on step 2250000 2 0.97 1.55517e-06 10323 2 103.7 0.000123298 3441 SHAKE stats (type/ave/delta/count) on step 2300000 2 0.97 1.25753e-06 10323 2 103.7 0.000112036 3441 SHAKE stats (type/ave/delta/count) on step 2350000 2 0.97 1.24495e-06 10323 2 103.7 9.08767e-05 3441 SHAKE stats (type/ave/delta/count) on step 2400000 2 0.97 1.31736e-06 10323 2 103.7 9.34575e-05 3441 SHAKE stats (type/ave/delta/count) on step 2450000 2 0.97 1.342e-06 10323 2 103.7 8.83898e-05 3441 SHAKE stats (type/ave/delta/count) on step 2500000 2 0.97 1.31153e-06 10323 2 103.7 0.000100713 3441 SHAKE stats (type/ave/delta/count) on step 2550000 2 0.97 1.38068e-06 10323 2 103.7 0.000120254 3441 SHAKE stats (type/ave/delta/count) on step 2600000 2 0.97 1.2951e-06 10323 2 103.7 0.000107283 3441 SHAKE stats (type/ave/delta/count) on step 2650000 2 0.97 1.22129e-06 10323 2 103.7 9.75138e-05 3441 SHAKE stats (type/ave/delta/count) on step 2700000 2 0.97 1.07087e-06 10323 2 103.7 0.000102229 3441 SHAKE stats (type/ave/delta/count) on step 2750000 2 0.97 1.26556e-06 10323 2 103.7 0.000102738 3441 SHAKE stats (type/ave/delta/count) on step 2800000 2 0.97 1.22298e-06 10323 2 103.7 0.000108625 3441 SHAKE stats (type/ave/delta/count) on step 2850000 2 0.97 1.39953e-06 10323 2 103.7 9.8656e-05 3441 SHAKE stats (type/ave/delta/count) on step 2900000 2 0.97 1.6272e-06 10323 2 103.7 0.000119461 3441 SHAKE stats (type/ave/delta/count) on step 2950000 2 0.97 1.15025e-06 10323 2 103.7 9.47484e-05 3441 SHAKE stats (type/ave/delta/count) on step 3000000 2 0.97 1.41678e-06 10323 2 103.7 0.000102403 3441 3000000 3000000 983959.16 164285.93 1.4452783 297.07717 236.69585 390.41645 0 0 817176.96 -177758.63 -442.69341 -422499.77 217545.67 7846.6868 Loop time of 87546.6 on 32 procs for 3000000 steps with 14171 atoms Performance: 2.961 ns/day, 8.106 hours/ns, 34.267 timesteps/s 98.8% CPU use with 32 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 15939 | 18434 | 20216 | 912.6 | 21.06 Bond | 5.2619 | 21.852 | 59.494 | 366.2 | 0.02 Kspace | 7383.4 | 9182.5 | 11655 |1293.2 | 10.49 Neigh | 1148.6 | 1149.7 | 1150.9 | 1.6 | 1.31 Comm | 1807.5 | 1895.2 | 1967 | 119.8 | 2.16 Output | 0.11161 | 0.14438 | 0.17624 | 5.1 | 0.00 Modify | 56636 | 56699 | 56780 | 18.8 | 64.76 Other | | 164.8 | | | 0.19 Nlocal: 442.844 ave 477 max 408 min Histogram: 2 2 3 2 4 8 6 1 3 1 Nghost: 7667.94 ave 7838 max 7560 min Histogram: 5 4 4 4 7 2 2 0 2 2 Neighs: 219592 ave 239328 max 191925 min Histogram: 2 4 0 1 2 4 8 3 6 2 Total # of neighbors = 7026935 Ave neighs/atom = 495.86726 Ave special neighs/atom = 1.685555 Neighbor list builds = 151223 Dangerous builds = 0 undump trj unfix trjE undump sci restart 0 dump sci all custom 3000000 2.5.xyz id mol type q xs ys zs run 0 PPPM initialization ... using 12-bit tables for long-range coulomb (../kspace.cpp:340) G vector (1/distance) = 0.25737673 grid = 32 32 72 stencil order = 5 estimated absolute RMS force accuracy = 0.0035513047 estimated relative force accuracy = 1.0694649e-05 using double precision KISS FFT 3d grid and FFT values/proc = 8464 3072 generated 0 of 36 mixed pair_coeff terms from sixthpower mixing rule WARNING: Both groups in compute group/group have a net charge; the Kspace boundary correction to energy will be non-zero (../compute_group_group.cpp:140) WARNING: Both groups in compute group/group have a net charge; the Kspace boundary correction to energy will be non-zero (../compute_group_group.cpp:140) Setting up Verlet run ... Unit style : real Current step : 3000000 Time step : 1 SHAKE stats (type/ave/delta/count) on step 3000000 2 0.97 1.41678e-06 10323 2 103.7 0.000102403 3441 Per MPI rank memory allocation (min/avg/max) = 36.48 | 36.55 | 36.64 Mbytes Step v_time Press Volume v_sysdensity Temp E_bond E_angle E_dihed E_impro E_vdwl E_coul E_tail E_long PotEng KinEng 3000000 3000000 983959.89 164285.93 1.4452783 297.07717 236.69585 390.41645 0 0 817176.96 -177758.63 -442.69341 -422499.77 217545.67 7846.6868 Loop time of 1.76058e-05 on 32 procs for 0 steps with 14171 atoms 102.4% CPU use with 32 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Bond | 0 | 0 | 0 | 0.0 | 0.00 Kspace | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 1.761e-05 | | |100.00 Nlocal: 442.844 ave 477 max 408 min Histogram: 2 2 3 2 4 8 6 1 3 1 Nghost: 7667.94 ave 7838 max 7560 min Histogram: 5 4 4 4 7 2 2 0 2 2 Neighs: 219592 ave 239328 max 191925 min Histogram: 2 4 0 1 2 4 8 3 6 2 Total # of neighbors = 7026935 Ave neighs/atom = 495.86726 Ave special neighs/atom = 1.685555 Neighbor list builds = 0 Dangerous builds = 0 undump sci uncompute rdf_1 unfix rdf_1 group rdfgroup_1 delete uncompute rdf_3 unfix rdf_3 group rdfgroup_3 delete uncompute rdf_4 unfix rdf_4 group rdfgroup_4 delete uncompute rdf_6 unfix rdf_6 group rdfgroup_6 delete uncompute rdf_9 unfix rdf_9 group rdfgroup_9 delete uncompute rdf_10 unfix rdf_10 group rdfgroup_10 delete uncompute rdf_12 unfix rdf_12 group rdfgroup_12 delete uncompute rdf_14 unfix rdf_14 group rdfgroup_14 delete uncompute rdf_15 unfix rdf_15 group rdfgroup_15 delete uncompute rdf_19 unfix rdf_19 group rdfgroup_19 delete uncompute rdf_20 unfix rdf_20 group rdfgroup_20 delete uncompute rdf_21 unfix rdf_21 group rdfgroup_21 delete uncompute rdf_23 unfix rdf_23 group rdfgroup_23 delete uncompute rdf_24 unfix rdf_24 group rdfgroup_24 delete uncompute rdf_25 unfix rdf_25 group rdfgroup_25 delete uncompute rdf_26 unfix rdf_26 group rdfgroup_26 delete uncompute rdf_27 unfix rdf_27 group rdfgroup_27 delete uncompute rdf_28 unfix rdf_28 group rdfgroup_28 delete uncompute group_29 unfix group_29 uncompute group_30 unfix group_30 uncompute group_31 unfix group_31 unfix 1 unfix 2 unfix 3 unfix 4 unfix shaken Total wall time: 27:21:16