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 (33.78995 48.916 87)
2 by 4 by 4 MPI processor grid
reading atoms ...
13901 atoms
scanning bonds ...
1 = max bonds/atom
scanning angles ...
6 = max angles/atom
scanning impropers ...
4 = max impropers/atom
reading bonds ...
8220 bonds
reading angles ...
4874 angles
reading impropers ...
924 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 = 0.062 seconds
include parameters.dat
bond_coeff 1 0.97 563.28 -1428.2 1902.1 # h* o*
bond_coeff 2 1.5325 277.56 -433.25 2922.8 # o1S- s4o-
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 8 9 12 13 28 29 32 33 48 49
10 atoms in group fixed
group fixed id 52 53 68 69 72 73 88 89 92 93
20 atoms in group fixed
group fixed id 108 109 112 113 128 129 132 133 148 149
30 atoms in group fixed
group fixed id 152 153 168 169 172 173 188 189 192 193
40 atoms in group fixed
group fixed id 271 272 273 274 275 276 277 278 279 280
50 atoms in group fixed
group fixed id 281 282 283 284 285 286 287 288 289 290
60 atoms in group fixed
group fixed id 291 292 293 294 295 296 297 298 299 300
70 atoms in group fixed
group fixed id 301 302 303 304 305 306 307 308 309 310
80 atoms in group fixed
group fixed id 436 437 438 439 440 441 442 443 444 445
90 atoms in group fixed
group fixed id 446 447 448 449 450 451 452 453 454 455
100 atoms in group fixed
group fixed id 456 457 458 459 460 461 462 463 464 465
110 atoms in group fixed
group fixed id 466 467 468 469 470 471 472 473 474 475
120 atoms in group fixed
group fixed id 571 572 573 574 575 576 577 578 579 580
130 atoms in group fixed
group fixed id 581 582 583 584 585 586 587 588 589 590
140 atoms in group fixed
group fixed id 671 672 673 674 675 676 677 678 679 680
150 atoms in group fixed
group fixed id 681 682 683 684 685 686 687 688 689 690
160 atoms in group fixed
group fixed id 771 772 773 774 775 776 777 778 779 780
170 atoms in group fixed
group fixed id 781 782 783 784 785 786 787 788 789 790
180 atoms in group fixed
group fixed id 871 872 873 874 875 876 877 878 879 880
190 atoms in group fixed
group fixed id 881 882 883 884 885 886 887 888 889 890
200 atoms in group fixed
group fixed id 971 972 973 974 975 976 977 978 979 980
210 atoms in group fixed
group fixed id 981 982 983 984 985 986 987 988 989 990
220 atoms in group fixed
group fixed id 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080
230 atoms in group fixed
group fixed id 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090
240 atoms in group fixed
group fixed id 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345
250 atoms in group fixed
group fixed id 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355
260 atoms in group fixed
group fixed id 1356 1357 1358 1359 1384 1385 1386 1387 1388 1389
270 atoms in group fixed
group fixed id 1390 1391 1392 1393 1394 1395 1420 1421 1422 1423
280 atoms in group fixed
group fixed id 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433
290 atoms in group fixed
group fixed id 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443
300 atoms in group fixed
group fixed id 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465
310 atoms in group fixed
group fixed id 1466 1467 1726 1727 1728 1729 1730 1731 1732 1733
320 atoms in group fixed
group fixed id 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743
330 atoms in group fixed
group fixed id 1744 1745 1746 1747 1748 1749 1768 1769 1770 1771
340 atoms in group fixed
group fixed id 1772 1773 1774 1775 1776 1777 1778 1779 1798 1799
350 atoms in group fixed
group fixed id 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809
360 atoms in group fixed
group fixed id 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819
370 atoms in group fixed
group fixed id 1820 1821 1834 1835 1836 1837 1838 1839 1840 1841
380 atoms in group fixed
group fixed id 1842 1843 1844 1845 2101 2102 2103 2104 2105 2106
390 atoms in group fixed
group fixed id 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116
400 atoms in group fixed
group fixed id 2117 2118 2119 2120 2121 2122 2123 2124 2146 2147
410 atoms in group fixed
group fixed id 2148 2149 2150 2151 2152 2153 2154 2155 2156 2157
420 atoms in group fixed
group fixed id 2179 2180 2181 2182 2183 2184 2185 2186 2187 2188
430 atoms in group fixed
group fixed id 2189 2190 2191 2192 2193 2194 2195 2196 2197 2198
440 atoms in group fixed
group fixed id 2199 2200 2201 2202 2215 2216 2217 2218 2219 2220
450 atoms in group fixed
group fixed id 2221 2222 2223 2224 2225 2226 2467 2468 2469 2470
460 atoms in group fixed
group fixed id 2471 2472 2473 2474 2475 2476 2477 2478 2479 2480
470 atoms in group fixed
group fixed id 2481 2482 2483 2484 2485 2486 2487 2488 2489 2490
480 atoms in group fixed
group fixed id 2506 2507 2508 2509 2510 2511 2512 2513 2514 2515
490 atoms in group fixed
group fixed id 2516 2517 2533 2534 2535 2536 2537 2538 2539 2540
500 atoms in group fixed
group fixed id 2541 2542 2543 2544 2545 2546 2547 2548 2549 2550
510 atoms in group fixed
group fixed id 2551 2552 2553 2554 2555 2556 2569 2570 2571 2572
520 atoms in group fixed
group fixed id 2573 2574 2575 2576 2577 2578 2579 2580 2821 2822
530 atoms in group fixed
group fixed id 2823 2824 2825 2826 2827 2828 2829 2830 2831 2832
540 atoms in group fixed
group fixed id 2833 2834 2835 2836 2837 2838 2839 2840 2841 2842
550 atoms in group fixed
group fixed id 2843 2844 2866 2867 2868 2869 2870 2871 2872 2873
560 atoms in group fixed
group fixed id 2874 2875 2876 2877 2899 2900 2901 2902 2903 2904
570 atoms in group fixed
group fixed id 2905 2906 2907 2908 2909 2910 2911 2912 2913 2914
580 atoms in group fixed
group fixed id 2915 2916 2917 2918 2919 2920 2921 2922 2935 2936
590 atoms in group fixed
group fixed id 2937 2938 2939 2940 2941 2942 2943 2944 2945 2946
600 atoms in group fixed
group fixed id 3187 3188 3189 3190 3191 3192 3193 3194 3195 3196
610 atoms in group fixed
group fixed id 3197 3198 3199 3200 3201 3202 3203 3204 3205 3206
620 atoms in group fixed
group fixed id 3207 3208 3209 3210 3226 3227 3228 3229 3230 3231
630 atoms in group fixed
group fixed id 3232 3233 3234 3235 3236 3237 3253 3254 3255 3256
640 atoms in group fixed
group fixed id 3257 3258 3259 3260 3261 3262 3263 3264 3265 3266
650 atoms in group fixed
group fixed id 3267 3268 3269 3270 3271 3272 3273 3274 3275 3276
660 atoms in group fixed
group fixed id 3289 3290 3291 3292 3293 3294 3295 3296 3297 3298
670 atoms in group fixed
group fixed id 3299 3300 3541 3542 3543 3544 3545 3546 3547 3548
680 atoms in group fixed
group fixed id 3549 3550 3551 3552 3553 3554 3555 3556 3557 3558
690 atoms in group fixed
group fixed id 3559 3560 3561 3562 3563 3564 3586 3587 3588 3589
700 atoms in group fixed
group fixed id 3590 3591 3592 3593 3594 3595 3596 3597 3619 3620
710 atoms in group fixed
group fixed id 3621 3622 3623 3624 3625 3626 3627 3628 3629 3630
720 atoms in group fixed
group fixed id 3631 3632 3633 3634 3635 3636 3637 3638 3639 3640
730 atoms in group fixed
group fixed id 3641 3642 3655 3656 3657 3658 3659 3660 3661 3662
740 atoms in group fixed
group fixed id 3663 3664 3665 3666 3907 3908 3909 3910 3911 3912
750 atoms in group fixed
group fixed id 3913 3914 3915 3916 3917 3918 3919 3920 3921 3922
760 atoms in group fixed
group fixed id 3923 3924 3925 3926 3927 3928 3929 3930 3946 3947
770 atoms in group fixed
group fixed id 3948 3949 3950 3951 3952 3953 3954 3955 3956 3957
780 atoms in group fixed
group fixed id 3973 3974 3975 3976 3977 3978 3979 3980 3981 3982
790 atoms in group fixed
group fixed id 3983 3984 3985 3986 3987 3988 3989 3990 3991 3992
800 atoms in group fixed
group fixed id 3993 3994 3995 3996 4009 4010 4011 4012 4013 4014
810 atoms in group fixed
group fixed id 4015 4016 4017 4018 4019 4020 4258 4259 4260 4261
820 atoms in group fixed
group fixed id 4262 4263 4264 4265 4266 4267 4268 4269 4270 4271
830 atoms in group fixed
group fixed id 4272 4273 4274 4275 4276 4277 4278 4279 4280 4281
840 atoms in group fixed
group fixed id 4300 4301 4302 4303 4304 4305 4306 4307 4308 4309
850 atoms in group fixed
group fixed id 4310 4311 4327 4328 4329 4330 4331 4332 4333 4334
860 atoms in group fixed
group fixed id 4335 4336 4337 4338 4339 4340 4341 4342 4343 4344
870 atoms in group fixed
group fixed id 4345 4346 4347 4348 4349 4350 4363 4364 4365 4366
880 atoms in group fixed
group fixed id 4367 4368 4369 4370 4371 4372 4373 4374 4597 4598
890 atoms in group fixed
group fixed id 4599 4600 4601 4602 4603 4604 4605 4606 4607 4608
900 atoms in group fixed
group fixed id 4609 4610 4611 4612 4613 4614 4615 4616 4617 4618
910 atoms in group fixed
group fixed id 4619 4620 4636 4637 4638 4639 4640 4641 4642 4643
920 atoms in group fixed
group fixed id 4644 4645 4646 4647 4660 4661 4662 4663 4664 4665
930 atoms in group fixed
group fixed id 4666 4667 4668 4669 4670 4671 4672 4673 4674 4675
940 atoms in group fixed
group fixed id 4676 4677 4678 4679 4680 4681 4682 4683 4696 4697
950 atoms in group fixed
group fixed id 4698 4699 4700 4701 4702 4703 4704 4705 4706 4707
960 atoms in group fixed
group movable subtract all fixed
12941 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_Layer2 id 4161 4162 4163 4164 4165 4166 4167 4168 4169 4170
4170 atoms in group subset_Layer2
group subset_Layer2 id 4171 4172 4173 4174 4175 4176 4177 4178 4179 4180
4180 atoms in group subset_Layer2
group subset_Layer2 id 4181 4182 4183 4184 4185 4186 4187 4188 4189 4190
4190 atoms in group subset_Layer2
group subset_Layer2 id 4191 4192 4193 4194 4195 4196 4197 4198 4199 4200
4200 atoms in group subset_Layer2
group subset_Layer2 id 4201 4202 4203 4204 4205 4206 4207 4208 4209 4210
4210 atoms in group subset_Layer2
group subset_Layer2 id 4211 4212 4213 4214 4215 4216 4217 4218 4219 4220
4220 atoms in group subset_Layer2
group subset_Layer2 id 4221 4222 4223 4224 4225 4226 4227 4228 4229 4230
4230 atoms in group subset_Layer2
group subset_Layer2 id 4231 4232 4233 4234 4235 4236 4237 4238 4239 4240
4240 atoms in group subset_Layer2
group subset_Layer2 id 4241 4242 4243 4244 4245 4246 4247 4248 4249 4250
4250 atoms in group subset_Layer2
group subset_Layer2 id 4251 4252 4253 4254 4255 4256 4257 4258 4259 4260
4260 atoms in group subset_Layer2
group subset_Layer2 id 4261 4262 4263 4264 4265 4266 4267 4268 4269 4270
4270 atoms in group subset_Layer2
group subset_Layer2 id 4271 4272 4273 4274 4275 4276 4277 4278 4279 4280
4280 atoms in group subset_Layer2
group subset_Layer2 id 4281 4282 4283 4284 4285 4286 4287 4288 4289 4290
4290 atoms in group subset_Layer2
group subset_Layer2 id 4291 4292 4293 4294 4295 4296 4297 4298 4299 4300
4300 atoms in group subset_Layer2
group subset_Layer2 id 4301 4302 4303 4304 4305 4306 4307 4308 4309 4310
4310 atoms in group subset_Layer2
group subset_Layer2 id 4311 4312 4313 4314 4315 4316 4317 4318 4319 4320
4320 atoms in group subset_Layer2
group subset_Layer2 id 4321 4322 4323 4324 4325 4326 4327 4328 4329 4330
4330 atoms in group subset_Layer2
group subset_Layer2 id 4331 4332 4333 4334 4335 4336 4337 4338 4339 4340
4340 atoms in group subset_Layer2
group subset_Layer2 id 4341 4342 4343 4344 4345 4346 4347 4348 4349 4350
4350 atoms in group subset_Layer2
group subset_Layer2 id 4351 4352 4353 4354 4355 4356 4357 4358 4359 4360
4360 atoms in group subset_Layer2
group subset_Layer2 id 4361 4362 4363 4364 4365 4366 4367 4368 4369 4370
4370 atoms in group subset_Layer2
group subset_Layer2 id 4371 4372 4373 4374 4375 4376 4377 4378 4379 4380
4380 atoms in group subset_Layer2
group subset_Layer2 id 4381 4382 4383 4384 4385 4386 4387 4388 4389 4390
4390 atoms in group subset_Layer2
group subset_Layer2 id 4391 4392 4393 4394 4395 4396 4397 4398 4399 4400
4400 atoms in group subset_Layer2
group subset_Layer2 id 4401 4402 4403 4404 4405 4406 4407 4408 4409 4410
4410 atoms in group subset_Layer2
group subset_Layer2 id 4411 4412 4413 4414 4415 4416 4417 4418 4419 4420
4420 atoms in group subset_Layer2
group subset_Layer2 id 4421 4422 4423 4424 4425 4426 4427 4428 4429 4430
4430 atoms in group subset_Layer2
group subset_Layer2 id 4431 4432 4433 4434 4435 4436 4437 4438 4439 4440
4440 atoms in group subset_Layer2
group subset_Layer2 id 4441 4442 4443 4444 4445 4446 4447 4448 4449 4450
4450 atoms in group subset_Layer2
group subset_Layer2 id 4451 4452 4453 4454 4455 4456 4457 4458 4459 4460
4460 atoms in group subset_Layer2
group subset_Layer2 id 4461 4462 4463 4464 4465 4466 4467 4468 4469 4470
4470 atoms in group subset_Layer2
group subset_Layer2 id 4471 4472 4473 4474 4475 4476 4477 4478 4479 4480
4480 atoms in group subset_Layer2
group subset_Layer2 id 4481 4482 4483 4484 4485 4486 4487 4488 4489 4490
4490 atoms in group subset_Layer2
group subset_Layer2 id 4491 4492 4493 4494 4495 4496 4497 4498 4499 4500
4500 atoms in group subset_Layer2
group subset_Layer2 id 4501 4502 4503 4504 4505 4506 4507 4508 4509 4510
4510 atoms in group subset_Layer2
group subset_Layer2 id 4511 4512 4513 4514 4515 4516 4517 4518 4519 4520
4520 atoms in group subset_Layer2
group subset_Layer2 id 4521 4522 4523 4524 4525 4526 4527 4528 4529 4530
4530 atoms in group subset_Layer2
group subset_Layer2 id 4531 4532 4533 4534 4535 4536 4537 4538 4539 4540
4540 atoms in group subset_Layer2
group subset_Layer2 id 4541 4542 4543 4544 4545 4546 4547 4548 4549 4550
4550 atoms in group subset_Layer2
group subset_Layer2 id 4551 4552 4553 4554 4555 4556 4557 4558 4559 4560
4560 atoms in group subset_Layer2
group subset_Layer2 id 4561 4562 4563 4564 4565 4566 4567 4568 4569 4570
4570 atoms in group subset_Layer2
group subset_Layer2 id 4571 4572 4573 4574 4575 4576 4577 4578 4579 4580
4580 atoms in group subset_Layer2
group subset_Layer2 id 4581 4582 4583 4584 4585 4586 4587 4588 4589 4590
4590 atoms in group subset_Layer2
group subset_Layer2 id 4591 4592 4593 4594 4595 4596 4597 4598 4599 4600
4600 atoms in group subset_Layer2
group subset_Layer2 id 4601 4602 4603 4604 4605 4606 4607 4608 4609 4610
4610 atoms in group subset_Layer2
group subset_Layer2 id 4611 4612 4613 4614 4615 4616 4617 4618 4619 4620
4620 atoms in group subset_Layer2
group subset_Layer2 id 4621 4622 4623 4624 4625 4626 4627 4628 4629 4630
4630 atoms in group subset_Layer2
group subset_Layer2 id 4631 4632 4633 4634 4635 4636 4637 4638 4639 4640
4640 atoms in group subset_Layer2
group subset_Layer2 id 4641 4642 4643 4644 4645 4646 4647 4648 4649 4650
4650 atoms in group subset_Layer2
group subset_Layer2 id 4651 4652 4653 4654 4655 4656 4657 4658 4659 4660
4660 atoms in group subset_Layer2
group subset_Layer2 id 4661 4662 4663 4664 4665 4666 4667 4668 4669 4670
4670 atoms in group subset_Layer2
group subset_Layer2 id 4671 4672 4673 4674 4675 4676 4677 4678 4679 4680
4680 atoms in group subset_Layer2
group subset_Layer2 id 4681 4682 4683 4684 4685 4686 4687 4688 4689 4690
4690 atoms in group subset_Layer2
group subset_Layer2 id 4691 4692 4693 4694 4695 4696 4697 4698 4699 4700
4700 atoms in group subset_Layer2
group subset_Layer2 id 4701 4702 4703 4704 4705 4706 4707 4708 4709 4710
4710 atoms in group subset_Layer2
group subset_Layer2 id 4711 4712 4713 4714 4715 4716 4717 4718 4719 4720
4720 atoms in group subset_Layer2
group subset_Layer2 id 4721 4722 4723 4724 4725 4726 4727 4728 4729 4730
4730 atoms in group subset_Layer2
group subset_Layer2 id 4731 4732 4733 4734 4735 4736 4737 4738 4739 4740
4740 atoms in group subset_Layer2
group subset_Layer2 id 4741 4742 4743 4744 4745 4746 4747 4748 4749 4750
4750 atoms in group subset_Layer2
group subset_Layer2 id 4751 4752 4753 4754 4755 4756 4757 4758 4759 4760
4760 atoms in group subset_Layer2
group subset_Layer2 id 4761 4762 4763 4764 4765 4766 4767 4768 4769 4770
4770 atoms in group subset_Layer2
group subset_Layer2 id 4771 4772 4773 4774 4775 4776 4777 4778 4779 4780
4780 atoms in group subset_Layer2
group subset_Layer2 id 4781 4782 4783 4784 4785 4786 4787 4788 4789 4790
4790 atoms in group subset_Layer2
group subset_Layer2 id 4791 4792 4793 4794 4795 4796 4797 4798 4799 4800
4800 atoms in group subset_Layer2
group subset_Li_1 id 4801 4802 4803 4804 4805 4806 4807 4808 4809 4810
10 atoms in group subset_Li_1
group subset_Na_1 id 4811 4812
2 atoms in group subset_Na_1
group subset_K_1 id 4813 4814 4815 4816 4817 4818 4819 4820 4821 4822
10 atoms in group subset_K_1
group subset_K_1 id 4823 4824 4825 4826 4827 4828 4829 4830 4831 4832
20 atoms in group subset_K_1
group subset_K_1 id 4833 4834 4835 4836 4837 4838 4839 4840 4841 4842
30 atoms in group subset_K_1
group subset_K_1 id 4843
31 atoms in group subset_K_1
group subset_Mg_1 id 4844 4845 4846 4847 4848 4849 4850 4851 4852 4853
10 atoms in group subset_Mg_1
group subset_Mg_1 id 4854 4855 4856 4857 4858 4859 4860 4861 4862 4863
20 atoms in group subset_Mg_1
group subset_Mg_1 id 4864 4865 4866 4867 4868 4869 4870 4871 4872 4873
30 atoms in group subset_Mg_1
group subset_Mg_1 id 4874 4875 4876 4877 4878 4879 4880 4881 4882 4883
40 atoms in group subset_Mg_1
group subset_Mg_1 id 4884 4885 4886 4887 4888 4889 4890 4891 4892 4893
50 atoms in group subset_Mg_1
group subset_Mg_1 id 4894 4895 4896 4897 4898 4899 4900 4901 4902 4903
60 atoms in group subset_Mg_1
group subset_Mg_1 id 4904 4905 4906 4907 4908 4909 4910 4911 4912 4913
70 atoms in group subset_Mg_1
group subset_Mg_1 id 4914 4915 4916 4917 4918 4919 4920 4921 4922 4923
80 atoms in group subset_Mg_1
group subset_Mg_1 id 4924 4925 4926 4927 4928 4929 4930 4931 4932 4933
90 atoms in group subset_Mg_1
group subset_Mg_1 id 4934 4935 4936 4937 4938 4939 4940 4941 4942 4943
100 atoms in group subset_Mg_1
group subset_Mg_1 id 4944 4945 4946 4947 4948 4949 4950 4951 4952 4953
110 atoms in group subset_Mg_1
group subset_Mg_1 id 4954 4955 4956 4957 4958 4959 4960 4961 4962 4963
120 atoms in group subset_Mg_1
group subset_Mg_1 id 4964 4965 4966 4967 4968 4969 4970 4971 4972 4973
130 atoms in group subset_Mg_1
group subset_Mg_1 id 4974 4975 4976 4977 4978 4979 4980 4981 4982 4983
140 atoms in group subset_Mg_1
group subset_Mg_1 id 4984 4985 4986 4987 4988 4989 4990 4991 4992 4993
150 atoms in group subset_Mg_1
group subset_Mg_1 id 4994 4995 4996 4997 4998 4999 5000 5001 5002 5003
160 atoms in group subset_Mg_1
group subset_Mg_1 id 5004 5005 5006 5007 5008 5009 5010 5011 5012 5013
170 atoms in group subset_Mg_1
group subset_Mg_1 id 5014 5015 5016 5017 5018 5019 5020 5021 5022 5023
180 atoms in group subset_Mg_1
group subset_Mg_1 id 5024 5025 5026 5027 5028 5029 5030 5031 5032 5033
190 atoms in group subset_Mg_1
group subset_Mg_1 id 5034 5035 5036 5037 5038 5039 5040 5041 5042 5043
200 atoms in group subset_Mg_1
group subset_Mg_1 id 5044 5045 5046 5047 5048 5049
206 atoms in group subset_Mg_1
group subset_Cl_1 id 5050 5051 5052 5053 5054 5055 5056 5057 5058 5059
10 atoms in group subset_Cl_1
group subset_Cl_1 id 5060 5061 5062 5063 5064 5065 5066 5067 5068 5069
20 atoms in group subset_Cl_1
group subset_Cl_1 id 5070 5071 5072 5073 5074 5075 5076 5077 5078 5079
30 atoms in group subset_Cl_1
group subset_Cl_1 id 5080 5081 5082 5083 5084 5085 5086 5087 5088 5089
40 atoms in group subset_Cl_1
group subset_Cl_1 id 5090 5091 5092 5093 5094 5095 5096 5097 5098 5099
50 atoms in group subset_Cl_1
group subset_Cl_1 id 5100 5101 5102 5103 5104 5105 5106 5107 5108 5109
60 atoms in group subset_Cl_1
group subset_Cl_1 id 5110 5111 5112 5113 5114 5115 5116 5117 5118 5119
70 atoms in group subset_Cl_1
group subset_Cl_1 id 5120 5121 5122 5123 5124 5125 5126 5127 5128 5129
80 atoms in group subset_Cl_1
group subset_Cl_1 id 5130 5131 5132 5133 5134 5135 5136 5137 5138 5139
90 atoms in group subset_Cl_1
group subset_Cl_1 id 5140 5141 5142 5143 5144 5145 5146 5147 5148 5149
100 atoms in group subset_Cl_1
group subset_Cl_1 id 5150 5151 5152 5153 5154 5155 5156 5157 5158 5159
110 atoms in group subset_Cl_1
group subset_Cl_1 id 5160 5161 5162 5163 5164 5165 5166 5167 5168 5169
120 atoms in group subset_Cl_1
group subset_Cl_1 id 5170 5171 5172 5173 5174 5175 5176 5177 5178 5179
130 atoms in group subset_Cl_1
group subset_Cl_1 id 5180 5181 5182 5183 5184 5185 5186 5187 5188 5189
140 atoms in group subset_Cl_1
group subset_Cl_1 id 5190 5191 5192 5193 5194 5195 5196 5197 5198 5199
150 atoms in group subset_Cl_1
group subset_Cl_1 id 5200 5201 5202 5203 5204 5205 5206 5207 5208 5209
160 atoms in group subset_Cl_1
group subset_Cl_1 id 5210 5211 5212 5213 5214 5215 5216 5217 5218 5219
170 atoms in group subset_Cl_1
group subset_Cl_1 id 5220 5221 5222 5223 5224 5225 5226 5227 5228 5229
180 atoms in group subset_Cl_1
group subset_Cl_1 id 5230 5231 5232 5233 5234 5235 5236 5237 5238 5239
190 atoms in group subset_Cl_1
group subset_Cl_1 id 5240 5241 5242 5243 5244 5245 5246 5247 5248 5249
200 atoms in group subset_Cl_1
group subset_Cl_1 id 5250 5251 5252 5253 5254 5255 5256 5257 5258 5259
210 atoms in group subset_Cl_1
group subset_Cl_1 id 5260 5261 5262 5263 5264 5265 5266 5267 5268 5269
220 atoms in group subset_Cl_1
group subset_Cl_1 id 5270 5271 5272 5273 5274 5275 5276 5277 5278 5279
230 atoms in group subset_Cl_1
group subset_Cl_1 id 5280 5281 5282 5283 5284 5285 5286 5287 5288 5289
240 atoms in group subset_Cl_1
group subset_Cl_1 id 5290 5291 5292 5293 5294 5295 5296 5297 5298 5299
250 atoms in group subset_Cl_1
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260 atoms in group subset_Cl_1
group subset_Cl_1 id 5310 5311 5312 5313 5314 5315 5316 5317 5318 5319
270 atoms in group subset_Cl_1
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280 atoms in group subset_Cl_1
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290 atoms in group subset_Cl_1
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300 atoms in group subset_Cl_1
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310 atoms in group subset_Cl_1
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320 atoms in group subset_Cl_1
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330 atoms in group subset_Cl_1
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340 atoms in group subset_Cl_1
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350 atoms in group subset_Cl_1
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360 atoms in group subset_Cl_1
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370 atoms in group subset_Cl_1
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380 atoms in group subset_Cl_1
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390 atoms in group subset_Cl_1
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393 atoms in group subset_Cl_1
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10 atoms in group subset_O(SO4)_1
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20 atoms in group subset_O(SO4)_1
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30 atoms in group subset_O(SO4)_1
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40 atoms in group subset_O(SO4)_1
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50 atoms in group subset_O(SO4)_1
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60 atoms in group subset_O(SO4)_1
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70 atoms in group subset_O(SO4)_1
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80 atoms in group subset_O(SO4)_1
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90 atoms in group subset_O(SO4)_1
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100 atoms in group subset_O(SO4)_1
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110 atoms in group subset_O(SO4)_1
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120 atoms in group subset_O(SO4)_1
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124 atoms in group subset_O(SO4)_1
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10 atoms in group subset_S(SO4)_1
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20 atoms in group subset_S(SO4)_1
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30 atoms in group subset_S(SO4)_1
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31 atoms in group subset_S(SO4)_1
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10 atoms in group subset_O(H2O)_1
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20 atoms in group subset_O(H2O)_1
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30 atoms in group subset_O(H2O)_1
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40 atoms in group subset_O(H2O)_1
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50 atoms in group subset_O(H2O)_1
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60 atoms in group subset_O(H2O)_1
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70 atoms in group subset_O(H2O)_1
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80 atoms in group subset_O(H2O)_1
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90 atoms in group subset_O(H2O)_1
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100 atoms in group subset_O(H2O)_1
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110 atoms in group subset_O(H2O)_1
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120 atoms in group subset_O(H2O)_1
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130 atoms in group subset_O(H2O)_1
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140 atoms in group subset_O(H2O)_1
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150 atoms in group subset_O(H2O)_1
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160 atoms in group subset_O(H2O)_1
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170 atoms in group subset_O(H2O)_1
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180 atoms in group subset_O(H2O)_1
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190 atoms in group subset_O(H2O)_1
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200 atoms in group subset_O(H2O)_1
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210 atoms in group subset_O(H2O)_1
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220 atoms in group subset_O(H2O)_1
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230 atoms in group subset_O(H2O)_1
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240 atoms in group subset_O(H2O)_1
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250 atoms in group subset_O(H2O)_1
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260 atoms in group subset_O(H2O)_1
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270 atoms in group subset_O(H2O)_1
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280 atoms in group subset_O(H2O)_1
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290 atoms in group subset_O(H2O)_1
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300 atoms in group subset_O(H2O)_1
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310 atoms in group subset_O(H2O)_1
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320 atoms in group subset_O(H2O)_1
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330 atoms in group subset_O(H2O)_1
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340 atoms in group subset_O(H2O)_1
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350 atoms in group subset_O(H2O)_1
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360 atoms in group subset_O(H2O)_1
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370 atoms in group subset_O(H2O)_1
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380 atoms in group subset_O(H2O)_1
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390 atoms in group subset_O(H2O)_1
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400 atoms in group subset_O(H2O)_1
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410 atoms in group subset_O(H2O)_1
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420 atoms in group subset_O(H2O)_1
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430 atoms in group subset_O(H2O)_1
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440 atoms in group subset_O(H2O)_1
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450 atoms in group subset_O(H2O)_1
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460 atoms in group subset_O(H2O)_1
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470 atoms in group subset_O(H2O)_1
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480 atoms in group subset_O(H2O)_1
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490 atoms in group subset_O(H2O)_1
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500 atoms in group subset_O(H2O)_1
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510 atoms in group subset_O(H2O)_1
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520 atoms in group subset_O(H2O)_1
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530 atoms in group subset_O(H2O)_1
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540 atoms in group subset_O(H2O)_1
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550 atoms in group subset_O(H2O)_1
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560 atoms in group subset_O(H2O)_1
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570 atoms in group subset_O(H2O)_1
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580 atoms in group subset_O(H2O)_1
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590 atoms in group subset_O(H2O)_1
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600 atoms in group subset_O(H2O)_1
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610 atoms in group subset_O(H2O)_1
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620 atoms in group subset_O(H2O)_1
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630 atoms in group subset_O(H2O)_1
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640 atoms in group subset_O(H2O)_1
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650 atoms in group subset_O(H2O)_1
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660 atoms in group subset_O(H2O)_1
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670 atoms in group subset_O(H2O)_1
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680 atoms in group subset_O(H2O)_1
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690 atoms in group subset_O(H2O)_1
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700 atoms in group subset_O(H2O)_1
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710 atoms in group subset_O(H2O)_1
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720 atoms in group subset_O(H2O)_1
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730 atoms in group subset_O(H2O)_1
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740 atoms in group subset_O(H2O)_1
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750 atoms in group subset_O(H2O)_1
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760 atoms in group subset_O(H2O)_1
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770 atoms in group subset_O(H2O)_1
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780 atoms in group subset_O(H2O)_1
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790 atoms in group subset_O(H2O)_1
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800 atoms in group subset_O(H2O)_1
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810 atoms in group subset_O(H2O)_1
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820 atoms in group subset_O(H2O)_1
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830 atoms in group subset_O(H2O)_1
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840 atoms in group subset_O(H2O)_1
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850 atoms in group subset_O(H2O)_1
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860 atoms in group subset_O(H2O)_1
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870 atoms in group subset_O(H2O)_1
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880 atoms in group subset_O(H2O)_1
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890 atoms in group subset_O(H2O)_1
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900 atoms in group subset_O(H2O)_1
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910 atoms in group subset_O(H2O)_1
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920 atoms in group subset_O(H2O)_1
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930 atoms in group subset_O(H2O)_1
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940 atoms in group subset_O(H2O)_1
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950 atoms in group subset_O(H2O)_1
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960 atoms in group subset_O(H2O)_1
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970 atoms in group subset_O(H2O)_1
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980 atoms in group subset_O(H2O)_1
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990 atoms in group subset_O(H2O)_1
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1000 atoms in group subset_O(H2O)_1
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1010 atoms in group subset_O(H2O)_1
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1020 atoms in group subset_O(H2O)_1
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1030 atoms in group subset_O(H2O)_1
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1040 atoms in group subset_O(H2O)_1
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1050 atoms in group subset_O(H2O)_1
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1060 atoms in group subset_O(H2O)_1
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1070 atoms in group subset_O(H2O)_1
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1080 atoms in group subset_O(H2O)_1
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1090 atoms in group subset_O(H2O)_1
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1100 atoms in group subset_O(H2O)_1
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1110 atoms in group subset_O(H2O)_1
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1120 atoms in group subset_O(H2O)_1
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1130 atoms in group subset_O(H2O)_1
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1140 atoms in group subset_O(H2O)_1
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1150 atoms in group subset_O(H2O)_1
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1160 atoms in group subset_O(H2O)_1
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1170 atoms in group subset_O(H2O)_1
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1180 atoms in group subset_O(H2O)_1
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1190 atoms in group subset_O(H2O)_1
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1200 atoms in group subset_O(H2O)_1
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1210 atoms in group subset_O(H2O)_1
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1220 atoms in group subset_O(H2O)_1
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1230 atoms in group subset_O(H2O)_1
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1240 atoms in group subset_O(H2O)_1
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1250 atoms in group subset_O(H2O)_1
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1260 atoms in group subset_O(H2O)_1
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1270 atoms in group subset_O(H2O)_1
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1280 atoms in group subset_O(H2O)_1
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1290 atoms in group subset_O(H2O)_1
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1300 atoms in group subset_O(H2O)_1
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1310 atoms in group subset_O(H2O)_1
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1320 atoms in group subset_O(H2O)_1
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1330 atoms in group subset_O(H2O)_1
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1340 atoms in group subset_O(H2O)_1
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1350 atoms in group subset_O(H2O)_1
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1360 atoms in group subset_O(H2O)_1
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1370 atoms in group subset_O(H2O)_1
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1380 atoms in group subset_O(H2O)_1
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1390 atoms in group subset_O(H2O)_1
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1400 atoms in group subset_O(H2O)_1
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1410 atoms in group subset_O(H2O)_1
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1420 atoms in group subset_O(H2O)_1
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1430 atoms in group subset_O(H2O)_1
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1440 atoms in group subset_O(H2O)_1
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1450 atoms in group subset_O(H2O)_1
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1460 atoms in group subset_O(H2O)_1
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1470 atoms in group subset_O(H2O)_1
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1480 atoms in group subset_O(H2O)_1
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1490 atoms in group subset_O(H2O)_1
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1500 atoms in group subset_O(H2O)_1
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1510 atoms in group subset_O(H2O)_1
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1520 atoms in group subset_O(H2O)_1
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1530 atoms in group subset_O(H2O)_1
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1540 atoms in group subset_O(H2O)_1
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1550 atoms in group subset_O(H2O)_1
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1560 atoms in group subset_O(H2O)_1
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1570 atoms in group subset_O(H2O)_1
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1580 atoms in group subset_O(H2O)_1
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1590 atoms in group subset_O(H2O)_1
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1600 atoms in group subset_O(H2O)_1
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1610 atoms in group subset_O(H2O)_1
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1620 atoms in group subset_O(H2O)_1
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1630 atoms in group subset_O(H2O)_1
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1640 atoms in group subset_O(H2O)_1
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1650 atoms in group subset_O(H2O)_1
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1660 atoms in group subset_O(H2O)_1
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1670 atoms in group subset_O(H2O)_1
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1680 atoms in group subset_O(H2O)_1
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1690 atoms in group subset_O(H2O)_1
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1700 atoms in group subset_O(H2O)_1
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1710 atoms in group subset_O(H2O)_1
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1720 atoms in group subset_O(H2O)_1
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1730 atoms in group subset_O(H2O)_1
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1740 atoms in group subset_O(H2O)_1
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1750 atoms in group subset_O(H2O)_1
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1760 atoms in group subset_O(H2O)_1
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1770 atoms in group subset_O(H2O)_1
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1780 atoms in group subset_O(H2O)_1
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1790 atoms in group subset_O(H2O)_1
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1800 atoms in group subset_O(H2O)_1
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1810 atoms in group subset_O(H2O)_1
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1820 atoms in group subset_O(H2O)_1
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1830 atoms in group subset_O(H2O)_1
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1840 atoms in group subset_O(H2O)_1
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1850 atoms in group subset_O(H2O)_1
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1860 atoms in group subset_O(H2O)_1
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1870 atoms in group subset_O(H2O)_1
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1880 atoms in group subset_O(H2O)_1
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1890 atoms in group subset_O(H2O)_1
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1900 atoms in group subset_O(H2O)_1
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1910 atoms in group subset_O(H2O)_1
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1920 atoms in group subset_O(H2O)_1
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1930 atoms in group subset_O(H2O)_1
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1940 atoms in group subset_O(H2O)_1
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1950 atoms in group subset_O(H2O)_1
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1960 atoms in group subset_O(H2O)_1
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1970 atoms in group subset_O(H2O)_1
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1980 atoms in group subset_O(H2O)_1
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1990 atoms in group subset_O(H2O)_1
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2000 atoms in group subset_O(H2O)_1
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2010 atoms in group subset_O(H2O)_1
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2020 atoms in group subset_O(H2O)_1
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2030 atoms in group subset_O(H2O)_1
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2040 atoms in group subset_O(H2O)_1
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2050 atoms in group subset_O(H2O)_1
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2060 atoms in group subset_O(H2O)_1
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2070 atoms in group subset_O(H2O)_1
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2080 atoms in group subset_O(H2O)_1
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2090 atoms in group subset_O(H2O)_1
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2100 atoms in group subset_O(H2O)_1
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2110 atoms in group subset_O(H2O)_1
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2120 atoms in group subset_O(H2O)_1
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2130 atoms in group subset_O(H2O)_1
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2140 atoms in group subset_O(H2O)_1
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2150 atoms in group subset_O(H2O)_1
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2160 atoms in group subset_O(H2O)_1
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2170 atoms in group subset_O(H2O)_1
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2180 atoms in group subset_O(H2O)_1
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2190 atoms in group subset_O(H2O)_1
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2200 atoms in group subset_O(H2O)_1
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2210 atoms in group subset_O(H2O)_1
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2220 atoms in group subset_O(H2O)_1
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2230 atoms in group subset_O(H2O)_1
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2240 atoms in group subset_O(H2O)_1
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2250 atoms in group subset_O(H2O)_1
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2260 atoms in group subset_O(H2O)_1
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2270 atoms in group subset_O(H2O)_1
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2280 atoms in group subset_O(H2O)_1
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2290 atoms in group subset_O(H2O)_1
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2300 atoms in group subset_O(H2O)_1
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2310 atoms in group subset_O(H2O)_1
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2320 atoms in group subset_O(H2O)_1
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2330 atoms in group subset_O(H2O)_1
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2340 atoms in group subset_O(H2O)_1
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2350 atoms in group subset_O(H2O)_1
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2360 atoms in group subset_O(H2O)_1
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2370 atoms in group subset_O(H2O)_1
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2380 atoms in group subset_O(H2O)_1
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2390 atoms in group subset_O(H2O)_1
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2400 atoms in group subset_O(H2O)_1
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2410 atoms in group subset_O(H2O)_1
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2420 atoms in group subset_O(H2O)_1
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2430 atoms in group subset_O(H2O)_1
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2440 atoms in group subset_O(H2O)_1
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2450 atoms in group subset_O(H2O)_1
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2460 atoms in group subset_O(H2O)_1
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2470 atoms in group subset_O(H2O)_1
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2480 atoms in group subset_O(H2O)_1
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2490 atoms in group subset_O(H2O)_1
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2500 atoms in group subset_O(H2O)_1
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2510 atoms in group subset_O(H2O)_1
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2520 atoms in group subset_O(H2O)_1
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2530 atoms in group subset_O(H2O)_1
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2540 atoms in group subset_O(H2O)_1
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2550 atoms in group subset_O(H2O)_1
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2560 atoms in group subset_O(H2O)_1
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2570 atoms in group subset_O(H2O)_1
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2580 atoms in group subset_O(H2O)_1
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2590 atoms in group subset_O(H2O)_1
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2600 atoms in group subset_O(H2O)_1
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2610 atoms in group subset_O(H2O)_1
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2620 atoms in group subset_O(H2O)_1
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2630 atoms in group subset_O(H2O)_1
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2640 atoms in group subset_O(H2O)_1
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2650 atoms in group subset_O(H2O)_1
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2660 atoms in group subset_O(H2O)_1
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2670 atoms in group subset_O(H2O)_1
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2680 atoms in group subset_O(H2O)_1
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2690 atoms in group subset_O(H2O)_1
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2700 atoms in group subset_O(H2O)_1
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2710 atoms in group subset_O(H2O)_1
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2720 atoms in group subset_O(H2O)_1
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2730 atoms in group subset_O(H2O)_1
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2740 atoms in group subset_O(H2O)_1
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2750 atoms in group subset_O(H2O)_1
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2760 atoms in group subset_O(H2O)_1
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2768 atoms in group subset_O(H2O)_1
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10 atoms in group subset_H(H2O)_1
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20 atoms in group subset_H(H2O)_1
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30 atoms in group subset_H(H2O)_1
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40 atoms in group subset_H(H2O)_1
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50 atoms in group subset_H(H2O)_1
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60 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 5689 5690 5692 5693 5695 5696 5698 5699 5701 5702
70 atoms in group subset_H(H2O)_1
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80 atoms in group subset_H(H2O)_1
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90 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 5734 5735 5737 5738 5740 5741 5743 5744 5746 5747
100 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 5749 5750 5752 5753 5755 5756 5758 5759 5761 5762
110 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 5764 5765 5767 5768 5770 5771 5773 5774 5776 5777
120 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 5779 5780 5782 5783 5785 5786 5788 5789 5791 5792
130 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 5794 5795 5797 5798 5800 5801 5803 5804 5806 5807
140 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 5809 5810 5812 5813 5815 5816 5818 5819 5821 5822
150 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 5824 5825 5827 5828 5830 5831 5833 5834 5836 5837
160 atoms in group subset_H(H2O)_1
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170 atoms in group subset_H(H2O)_1
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180 atoms in group subset_H(H2O)_1
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190 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 5884 5885 5887 5888 5890 5891 5893 5894 5896 5897
200 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 5899 5900 5902 5903 5905 5906 5908 5909 5911 5912
210 atoms in group subset_H(H2O)_1
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220 atoms in group subset_H(H2O)_1
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230 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 5944 5945 5947 5948 5950 5951 5953 5954 5956 5957
240 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 5959 5960 5962 5963 5965 5966 5968 5969 5971 5972
250 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 5974 5975 5977 5978 5980 5981 5983 5984 5986 5987
260 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 5989 5990 5992 5993 5995 5996 5998 5999 6001 6002
270 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 6004 6005 6007 6008 6010 6011 6013 6014 6016 6017
280 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 6019 6020 6022 6023 6025 6026 6028 6029 6031 6032
290 atoms in group subset_H(H2O)_1
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300 atoms in group subset_H(H2O)_1
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310 atoms in group subset_H(H2O)_1
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320 atoms in group subset_H(H2O)_1
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330 atoms in group subset_H(H2O)_1
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340 atoms in group subset_H(H2O)_1
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1820 atoms in group subset_H(H2O)_1
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1870 atoms in group subset_H(H2O)_1
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1880 atoms in group subset_H(H2O)_1
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1890 atoms in group subset_H(H2O)_1
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1900 atoms in group subset_H(H2O)_1
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1910 atoms in group subset_H(H2O)_1
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1920 atoms in group subset_H(H2O)_1
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1930 atoms in group subset_H(H2O)_1
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1940 atoms in group subset_H(H2O)_1
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1950 atoms in group subset_H(H2O)_1
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1960 atoms in group subset_H(H2O)_1
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1970 atoms in group subset_H(H2O)_1
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1980 atoms in group subset_H(H2O)_1
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1990 atoms in group subset_H(H2O)_1
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2000 atoms in group subset_H(H2O)_1
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2010 atoms in group subset_H(H2O)_1
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2020 atoms in group subset_H(H2O)_1
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2030 atoms in group subset_H(H2O)_1
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2040 atoms in group subset_H(H2O)_1
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2050 atoms in group subset_H(H2O)_1
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2060 atoms in group subset_H(H2O)_1
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2070 atoms in group subset_H(H2O)_1
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2080 atoms in group subset_H(H2O)_1
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2090 atoms in group subset_H(H2O)_1
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2100 atoms in group subset_H(H2O)_1
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2110 atoms in group subset_H(H2O)_1
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2120 atoms in group subset_H(H2O)_1
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2130 atoms in group subset_H(H2O)_1
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2140 atoms in group subset_H(H2O)_1
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2150 atoms in group subset_H(H2O)_1
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2160 atoms in group subset_H(H2O)_1
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2170 atoms in group subset_H(H2O)_1
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2180 atoms in group subset_H(H2O)_1
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2190 atoms in group subset_H(H2O)_1
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2200 atoms in group subset_H(H2O)_1
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2210 atoms in group subset_H(H2O)_1
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2220 atoms in group subset_H(H2O)_1
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2230 atoms in group subset_H(H2O)_1
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2240 atoms in group subset_H(H2O)_1
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2250 atoms in group subset_H(H2O)_1
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2260 atoms in group subset_H(H2O)_1
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2270 atoms in group subset_H(H2O)_1
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2280 atoms in group subset_H(H2O)_1
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2290 atoms in group subset_H(H2O)_1
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2300 atoms in group subset_H(H2O)_1
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2310 atoms in group subset_H(H2O)_1
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2320 atoms in group subset_H(H2O)_1
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2330 atoms in group subset_H(H2O)_1
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2340 atoms in group subset_H(H2O)_1
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2350 atoms in group subset_H(H2O)_1
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2360 atoms in group subset_H(H2O)_1
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2370 atoms in group subset_H(H2O)_1
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2380 atoms in group subset_H(H2O)_1
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2390 atoms in group subset_H(H2O)_1
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2400 atoms in group subset_H(H2O)_1
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2410 atoms in group subset_H(H2O)_1
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2420 atoms in group subset_H(H2O)_1
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2430 atoms in group subset_H(H2O)_1
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2440 atoms in group subset_H(H2O)_1
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2450 atoms in group subset_H(H2O)_1
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2460 atoms in group subset_H(H2O)_1
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2470 atoms in group subset_H(H2O)_1
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2480 atoms in group subset_H(H2O)_1
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2490 atoms in group subset_H(H2O)_1
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2500 atoms in group subset_H(H2O)_1
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2510 atoms in group subset_H(H2O)_1
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2520 atoms in group subset_H(H2O)_1
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2530 atoms in group subset_H(H2O)_1
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2540 atoms in group subset_H(H2O)_1
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2550 atoms in group subset_H(H2O)_1
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2560 atoms in group subset_H(H2O)_1
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2570 atoms in group subset_H(H2O)_1
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2580 atoms in group subset_H(H2O)_1
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2590 atoms in group subset_H(H2O)_1
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2600 atoms in group subset_H(H2O)_1
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2610 atoms in group subset_H(H2O)_1
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2620 atoms in group subset_H(H2O)_1
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2630 atoms in group subset_H(H2O)_1
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2640 atoms in group subset_H(H2O)_1
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2650 atoms in group subset_H(H2O)_1
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2660 atoms in group subset_H(H2O)_1
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2670 atoms in group subset_H(H2O)_1
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2680 atoms in group subset_H(H2O)_1
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2690 atoms in group subset_H(H2O)_1
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2700 atoms in group subset_H(H2O)_1
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2710 atoms in group subset_H(H2O)_1
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2720 atoms in group subset_H(H2O)_1
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2730 atoms in group subset_H(H2O)_1
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2740 atoms in group subset_H(H2O)_1
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2750 atoms in group subset_H(H2O)_1
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2760 atoms in group subset_H(H2O)_1
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2770 atoms in group subset_H(H2O)_1
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2780 atoms in group subset_H(H2O)_1
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2790 atoms in group subset_H(H2O)_1
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2800 atoms in group subset_H(H2O)_1
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2810 atoms in group subset_H(H2O)_1
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2820 atoms in group subset_H(H2O)_1
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2830 atoms in group subset_H(H2O)_1
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2840 atoms in group subset_H(H2O)_1
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2850 atoms in group subset_H(H2O)_1
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2860 atoms in group subset_H(H2O)_1
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2870 atoms in group subset_H(H2O)_1
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2890 atoms in group subset_H(H2O)_1
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2900 atoms in group subset_H(H2O)_1
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2910 atoms in group subset_H(H2O)_1
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2920 atoms in group subset_H(H2O)_1
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2930 atoms in group subset_H(H2O)_1
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2940 atoms in group subset_H(H2O)_1
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2950 atoms in group subset_H(H2O)_1
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2960 atoms in group subset_H(H2O)_1
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2970 atoms in group subset_H(H2O)_1
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2980 atoms in group subset_H(H2O)_1
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2990 atoms in group subset_H(H2O)_1
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3000 atoms in group subset_H(H2O)_1
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3010 atoms in group subset_H(H2O)_1
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3020 atoms in group subset_H(H2O)_1
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3030 atoms in group subset_H(H2O)_1
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3040 atoms in group subset_H(H2O)_1
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3050 atoms in group subset_H(H2O)_1
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3060 atoms in group subset_H(H2O)_1
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3070 atoms in group subset_H(H2O)_1
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3080 atoms in group subset_H(H2O)_1
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3090 atoms in group subset_H(H2O)_1
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3100 atoms in group subset_H(H2O)_1
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3110 atoms in group subset_H(H2O)_1
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3130 atoms in group subset_H(H2O)_1
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3160 atoms in group subset_H(H2O)_1
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3200 atoms in group subset_H(H2O)_1
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3210 atoms in group subset_H(H2O)_1
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3220 atoms in group subset_H(H2O)_1
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3230 atoms in group subset_H(H2O)_1
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3260 atoms in group subset_H(H2O)_1
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3270 atoms in group subset_H(H2O)_1
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3280 atoms in group subset_H(H2O)_1
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3290 atoms in group subset_H(H2O)_1
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3300 atoms in group subset_H(H2O)_1
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3310 atoms in group subset_H(H2O)_1
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3360 atoms in group subset_H(H2O)_1
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3410 atoms in group subset_H(H2O)_1
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3480 atoms in group subset_H(H2O)_1
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3510 atoms in group subset_H(H2O)_1
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3520 atoms in group subset_H(H2O)_1
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3550 atoms in group subset_H(H2O)_1
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3560 atoms in group subset_H(H2O)_1
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3570 atoms in group subset_H(H2O)_1
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3580 atoms in group subset_H(H2O)_1
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3590 atoms in group subset_H(H2O)_1
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3600 atoms in group subset_H(H2O)_1
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3610 atoms in group subset_H(H2O)_1
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3620 atoms in group subset_H(H2O)_1
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3630 atoms in group subset_H(H2O)_1
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3640 atoms in group subset_H(H2O)_1
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3650 atoms in group subset_H(H2O)_1
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3660 atoms in group subset_H(H2O)_1
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3670 atoms in group subset_H(H2O)_1
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3680 atoms in group subset_H(H2O)_1
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3690 atoms in group subset_H(H2O)_1
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3700 atoms in group subset_H(H2O)_1
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3710 atoms in group subset_H(H2O)_1
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3720 atoms in group subset_H(H2O)_1
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3730 atoms in group subset_H(H2O)_1
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3740 atoms in group subset_H(H2O)_1
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3750 atoms in group subset_H(H2O)_1
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3760 atoms in group subset_H(H2O)_1
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3770 atoms in group subset_H(H2O)_1
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3780 atoms in group subset_H(H2O)_1
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3790 atoms in group subset_H(H2O)_1
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3800 atoms in group subset_H(H2O)_1
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3810 atoms in group subset_H(H2O)_1
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3820 atoms in group subset_H(H2O)_1
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3830 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 11344 11345 11347 11348 11350 11351 11353 11354 11356 11357
3840 atoms in group subset_H(H2O)_1
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3850 atoms in group subset_H(H2O)_1
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3860 atoms in group subset_H(H2O)_1
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3870 atoms in group subset_H(H2O)_1
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3880 atoms in group subset_H(H2O)_1
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3890 atoms in group subset_H(H2O)_1
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3900 atoms in group subset_H(H2O)_1
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3910 atoms in group subset_H(H2O)_1
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3920 atoms in group subset_H(H2O)_1
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3930 atoms in group subset_H(H2O)_1
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3940 atoms in group subset_H(H2O)_1
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3950 atoms in group subset_H(H2O)_1
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3960 atoms in group subset_H(H2O)_1
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3970 atoms in group subset_H(H2O)_1
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3980 atoms in group subset_H(H2O)_1
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3990 atoms in group subset_H(H2O)_1
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4000 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 11599 11600 11602 11603 11605 11606 11608 11609 11611 11612
4010 atoms in group subset_H(H2O)_1
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4020 atoms in group subset_H(H2O)_1
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4030 atoms in group subset_H(H2O)_1
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4040 atoms in group subset_H(H2O)_1
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4050 atoms in group subset_H(H2O)_1
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4060 atoms in group subset_H(H2O)_1
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4070 atoms in group subset_H(H2O)_1
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4080 atoms in group subset_H(H2O)_1
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4090 atoms in group subset_H(H2O)_1
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4100 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 11749 11750 11752 11753 11755 11756 11758 11759 11761 11762
4110 atoms in group subset_H(H2O)_1
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4120 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 11779 11780 11782 11783 11785 11786 11788 11789 11791 11792
4130 atoms in group subset_H(H2O)_1
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4140 atoms in group subset_H(H2O)_1
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4150 atoms in group subset_H(H2O)_1
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4160 atoms in group subset_H(H2O)_1
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4170 atoms in group subset_H(H2O)_1
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4180 atoms in group subset_H(H2O)_1
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4190 atoms in group subset_H(H2O)_1
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4200 atoms in group subset_H(H2O)_1
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4210 atoms in group subset_H(H2O)_1
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4220 atoms in group subset_H(H2O)_1
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4230 atoms in group subset_H(H2O)_1
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4240 atoms in group subset_H(H2O)_1
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4250 atoms in group subset_H(H2O)_1
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4260 atoms in group subset_H(H2O)_1
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4270 atoms in group subset_H(H2O)_1
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4280 atoms in group subset_H(H2O)_1
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4290 atoms in group subset_H(H2O)_1
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4300 atoms in group subset_H(H2O)_1
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4310 atoms in group subset_H(H2O)_1
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4320 atoms in group subset_H(H2O)_1
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4330 atoms in group subset_H(H2O)_1
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4340 atoms in group subset_H(H2O)_1
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4350 atoms in group subset_H(H2O)_1
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4360 atoms in group subset_H(H2O)_1
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4370 atoms in group subset_H(H2O)_1
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4380 atoms in group subset_H(H2O)_1
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4390 atoms in group subset_H(H2O)_1
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4400 atoms in group subset_H(H2O)_1
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4410 atoms in group subset_H(H2O)_1
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4420 atoms in group subset_H(H2O)_1
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4430 atoms in group subset_H(H2O)_1
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4440 atoms in group subset_H(H2O)_1
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4450 atoms in group subset_H(H2O)_1
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4460 atoms in group subset_H(H2O)_1
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4470 atoms in group subset_H(H2O)_1
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4480 atoms in group subset_H(H2O)_1
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4490 atoms in group subset_H(H2O)_1
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4500 atoms in group subset_H(H2O)_1
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4510 atoms in group subset_H(H2O)_1
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4520 atoms in group subset_H(H2O)_1
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4530 atoms in group subset_H(H2O)_1
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4540 atoms in group subset_H(H2O)_1
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4550 atoms in group subset_H(H2O)_1
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4560 atoms in group subset_H(H2O)_1
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4570 atoms in group subset_H(H2O)_1
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4580 atoms in group subset_H(H2O)_1
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4590 atoms in group subset_H(H2O)_1
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4600 atoms in group subset_H(H2O)_1
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4610 atoms in group subset_H(H2O)_1
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4620 atoms in group subset_H(H2O)_1
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4630 atoms in group subset_H(H2O)_1
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4640 atoms in group subset_H(H2O)_1
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4650 atoms in group subset_H(H2O)_1
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4660 atoms in group subset_H(H2O)_1
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4670 atoms in group subset_H(H2O)_1
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4680 atoms in group subset_H(H2O)_1
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4690 atoms in group subset_H(H2O)_1
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4700 atoms in group subset_H(H2O)_1
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4710 atoms in group subset_H(H2O)_1
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4720 atoms in group subset_H(H2O)_1
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4730 atoms in group subset_H(H2O)_1
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4740 atoms in group subset_H(H2O)_1
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4750 atoms in group subset_H(H2O)_1
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4760 atoms in group subset_H(H2O)_1
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4770 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 12754 12755 12757 12758 12760 12761 12763 12764 12766 12767
4780 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 12769 12770 12772 12773 12775 12776 12778 12779 12781 12782
4790 atoms in group subset_H(H2O)_1
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4800 atoms in group subset_H(H2O)_1
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4810 atoms in group subset_H(H2O)_1
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4820 atoms in group subset_H(H2O)_1
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4830 atoms in group subset_H(H2O)_1
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4840 atoms in group subset_H(H2O)_1
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4850 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 12874 12875 12877 12878 12880 12881 12883 12884 12886 12887
4860 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 12889 12890 12892 12893 12895 12896 12898 12899 12901 12902
4870 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 12904 12905 12907 12908 12910 12911 12913 12914 12916 12917
4880 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 12919 12920 12922 12923 12925 12926 12928 12929 12931 12932
4890 atoms in group subset_H(H2O)_1
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4900 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 12949 12950 12952 12953 12955 12956 12958 12959 12961 12962
4910 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 12964 12965 12967 12968 12970 12971 12973 12974 12976 12977
4920 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 12979 12980 12982 12983 12985 12986 12988 12989 12991 12992
4930 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 12994 12995 12997 12998 13000 13001 13003 13004 13006 13007
4940 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13009 13010 13012 13013 13015 13016 13018 13019 13021 13022
4950 atoms in group subset_H(H2O)_1
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4960 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13039 13040 13042 13043 13045 13046 13048 13049 13051 13052
4970 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13054 13055 13057 13058 13060 13061 13063 13064 13066 13067
4980 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13069 13070 13072 13073 13075 13076 13078 13079 13081 13082
4990 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13084 13085 13087 13088 13090 13091 13093 13094 13096 13097
5000 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13099 13100 13102 13103 13105 13106 13108 13109 13111 13112
5010 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13114 13115 13117 13118 13120 13121 13123 13124 13126 13127
5020 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13129 13130 13132 13133 13135 13136 13138 13139 13141 13142
5030 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13144 13145 13147 13148 13150 13151 13153 13154 13156 13157
5040 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13159 13160 13162 13163 13165 13166 13168 13169 13171 13172
5050 atoms in group subset_H(H2O)_1
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5060 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13189 13190 13192 13193 13195 13196 13198 13199 13201 13202
5070 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13204 13205 13207 13208 13210 13211 13213 13214 13216 13217
5080 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13219 13220 13222 13223 13225 13226 13228 13229 13231 13232
5090 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13234 13235 13237 13238 13240 13241 13243 13244 13246 13247
5100 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13249 13250 13252 13253 13255 13256 13258 13259 13261 13262
5110 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13264 13265 13267 13268 13270 13271 13273 13274 13276 13277
5120 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13279 13280 13282 13283 13285 13286 13288 13289 13291 13292
5130 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13294 13295 13297 13298 13300 13301 13303 13304 13306 13307
5140 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13309 13310 13312 13313 13315 13316 13318 13319 13321 13322
5150 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13324 13325 13327 13328 13330 13331 13333 13334 13336 13337
5160 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13339 13340 13342 13343 13345 13346 13348 13349 13351 13352
5170 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13354 13355 13357 13358 13360 13361 13363 13364 13366 13367
5180 atoms in group subset_H(H2O)_1
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5190 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13384 13385 13387 13388 13390 13391 13393 13394 13396 13397
5200 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13399 13400 13402 13403 13405 13406 13408 13409 13411 13412
5210 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13414 13415 13417 13418 13420 13421 13423 13424 13426 13427
5220 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13429 13430 13432 13433 13435 13436 13438 13439 13441 13442
5230 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13444 13445 13447 13448 13450 13451 13453 13454 13456 13457
5240 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13459 13460 13462 13463 13465 13466 13468 13469 13471 13472
5250 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13474 13475 13477 13478 13480 13481 13483 13484 13486 13487
5260 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13489 13490 13492 13493 13495 13496 13498 13499 13501 13502
5270 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13504 13505 13507 13508 13510 13511 13513 13514 13516 13517
5280 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13519 13520 13522 13523 13525 13526 13528 13529 13531 13532
5290 atoms in group subset_H(H2O)_1
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5300 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13549 13550 13552 13553 13555 13556 13558 13559 13561 13562
5310 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13564 13565 13567 13568 13570 13571 13573 13574 13576 13577
5320 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13579 13580 13582 13583 13585 13586 13588 13589 13591 13592
5330 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13594 13595 13597 13598 13600 13601 13603 13604 13606 13607
5340 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13609 13610 13612 13613 13615 13616 13618 13619 13621 13622
5350 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13624 13625 13627 13628 13630 13631 13633 13634 13636 13637
5360 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13639 13640 13642 13643 13645 13646 13648 13649 13651 13652
5370 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13654 13655 13657 13658 13660 13661 13663 13664 13666 13667
5380 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13669 13670 13672 13673 13675 13676 13678 13679 13681 13682
5390 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13684 13685 13687 13688 13690 13691 13693 13694 13696 13697
5400 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13699 13700 13702 13703 13705 13706 13708 13709 13711 13712
5410 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13714 13715 13717 13718 13720 13721 13723 13724 13726 13727
5420 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13729 13730 13732 13733 13735 13736 13738 13739 13741 13742
5430 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13744 13745 13747 13748 13750 13751 13753 13754 13756 13757
5440 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13759 13760 13762 13763 13765 13766 13768 13769 13771 13772
5450 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13774 13775 13777 13778 13780 13781 13783 13784 13786 13787
5460 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13789 13790 13792 13793 13795 13796 13798 13799 13801 13802
5470 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13804 13805 13807 13808 13810 13811 13813 13814 13816 13817
5480 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13819 13820 13822 13823 13825 13826 13828 13829 13831 13832
5490 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13834 13835 13837 13838 13840 13841 13843 13844 13846 13847
5500 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13849 13850 13852 13853 13855 13856 13858 13859 13861 13862
5510 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13864 13865 13867 13868 13870 13871 13873 13874 13876 13877
5520 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13879 13880 13882 13883 13885 13886 13888 13889 13891 13892
5530 atoms in group subset_H(H2O)_1
group subset_H(H2O)_1 id 13894 13895 13897 13898 13900 13901
5536 atoms in group subset_H(H2O)_1
group subset_Layer1 id 4801 4802 4803 4804 4805 4806 4807 4808 4809 4810
10 atoms in group subset_Layer1
group subset_Layer1 id 4811 4812 4813 4814 4815 4816 4817 4818 4819 4820
20 atoms in group subset_Layer1
group subset_Layer1 id 4821 4822 4823 4824 4825 4826 4827 4828 4829 4830
30 atoms in group subset_Layer1
group subset_Layer1 id 4831 4832 4833 4834 4835 4836 4837 4838 4839 4840
40 atoms in group subset_Layer1
group subset_Layer1 id 4841 4842 4843 4844 4845 4846 4847 4848 4849 4850
50 atoms in group subset_Layer1
group subset_Layer1 id 4851 4852 4853 4854 4855 4856 4857 4858 4859 4860
60 atoms in group subset_Layer1
group subset_Layer1 id 4861 4862 4863 4864 4865 4866 4867 4868 4869 4870
70 atoms in group subset_Layer1
group subset_Layer1 id 4871 4872 4873 4874 4875 4876 4877 4878 4879 4880
80 atoms in group subset_Layer1
group subset_Layer1 id 4881 4882 4883 4884 4885 4886 4887 4888 4889 4890
90 atoms in group subset_Layer1
group subset_Layer1 id 4891 4892 4893 4894 4895 4896 4897 4898 4899 4900
100 atoms in group subset_Layer1
group subset_Layer1 id 4901 4902 4903 4904 4905 4906 4907 4908 4909 4910
110 atoms in group subset_Layer1
group subset_Layer1 id 4911 4912 4913 4914 4915 4916 4917 4918 4919 4920
120 atoms in group subset_Layer1
group subset_Layer1 id 4921 4922 4923 4924 4925 4926 4927 4928 4929 4930
130 atoms in group subset_Layer1
group subset_Layer1 id 4931 4932 4933 4934 4935 4936 4937 4938 4939 4940
140 atoms in group subset_Layer1
group subset_Layer1 id 4941 4942 4943 4944 4945 4946 4947 4948 4949 4950
150 atoms in group subset_Layer1
group subset_Layer1 id 4951 4952 4953 4954 4955 4956 4957 4958 4959 4960
160 atoms in group subset_Layer1
group subset_Layer1 id 4961 4962 4963 4964 4965 4966 4967 4968 4969 4970
170 atoms in group subset_Layer1
group subset_Layer1 id 4971 4972 4973 4974 4975 4976 4977 4978 4979 4980
180 atoms in group subset_Layer1
group subset_Layer1 id 4981 4982 4983 4984 4985 4986 4987 4988 4989 4990
190 atoms in group subset_Layer1
group subset_Layer1 id 4991 4992 4993 4994 4995 4996 4997 4998 4999 5000
200 atoms in group subset_Layer1
group subset_Layer1 id 5001 5002 5003 5004 5005 5006 5007 5008 5009 5010
210 atoms in group subset_Layer1
group subset_Layer1 id 5011 5012 5013 5014 5015 5016 5017 5018 5019 5020
220 atoms in group subset_Layer1
group subset_Layer1 id 5021 5022 5023 5024 5025 5026 5027 5028 5029 5030
230 atoms in group subset_Layer1
group subset_Layer1 id 5031 5032 5033 5034 5035 5036 5037 5038 5039 5040
240 atoms in group subset_Layer1
group subset_Layer1 id 5041 5042 5043 5044 5045 5046 5047 5048 5049 5050
250 atoms in group subset_Layer1
group subset_Layer1 id 5051 5052 5053 5054 5055 5056 5057 5058 5059 5060
260 atoms in group subset_Layer1
group subset_Layer1 id 5061 5062 5063 5064 5065 5066 5067 5068 5069 5070
270 atoms in group subset_Layer1
group subset_Layer1 id 5071 5072 5073 5074 5075 5076 5077 5078 5079 5080
280 atoms in group subset_Layer1
group subset_Layer1 id 5081 5082 5083 5084 5085 5086 5087 5088 5089 5090
290 atoms in group subset_Layer1
group subset_Layer1 id 5091 5092 5093 5094 5095 5096 5097 5098 5099 5100
300 atoms in group subset_Layer1
group subset_Layer1 id 5101 5102 5103 5104 5105 5106 5107 5108 5109 5110
310 atoms in group subset_Layer1
group subset_Layer1 id 5111 5112 5113 5114 5115 5116 5117 5118 5119 5120
320 atoms in group subset_Layer1
group subset_Layer1 id 5121 5122 5123 5124 5125 5126 5127 5128 5129 5130
330 atoms in group subset_Layer1
group subset_Layer1 id 5131 5132 5133 5134 5135 5136 5137 5138 5139 5140
340 atoms in group subset_Layer1
group subset_Layer1 id 5141 5142 5143 5144 5145 5146 5147 5148 5149 5150
350 atoms in group subset_Layer1
group subset_Layer1 id 5151 5152 5153 5154 5155 5156 5157 5158 5159 5160
360 atoms in group subset_Layer1
group subset_Layer1 id 5161 5162 5163 5164 5165 5166 5167 5168 5169 5170
370 atoms in group subset_Layer1
group subset_Layer1 id 5171 5172 5173 5174 5175 5176 5177 5178 5179 5180
380 atoms in group subset_Layer1
group subset_Layer1 id 5181 5182 5183 5184 5185 5186 5187 5188 5189 5190
390 atoms in group subset_Layer1
group subset_Layer1 id 5191 5192 5193 5194 5195 5196 5197 5198 5199 5200
400 atoms in group subset_Layer1
group subset_Layer1 id 5201 5202 5203 5204 5205 5206 5207 5208 5209 5210
410 atoms in group subset_Layer1
group subset_Layer1 id 5211 5212 5213 5214 5215 5216 5217 5218 5219 5220
420 atoms in group subset_Layer1
group subset_Layer1 id 5221 5222 5223 5224 5225 5226 5227 5228 5229 5230
430 atoms in group subset_Layer1
group subset_Layer1 id 5231 5232 5233 5234 5235 5236 5237 5238 5239 5240
440 atoms in group subset_Layer1
group subset_Layer1 id 5241 5242 5243 5244 5245 5246 5247 5248 5249 5250
450 atoms in group subset_Layer1
group subset_Layer1 id 5251 5252 5253 5254 5255 5256 5257 5258 5259 5260
460 atoms in group subset_Layer1
group subset_Layer1 id 5261 5262 5263 5264 5265 5266 5267 5268 5269 5270
470 atoms in group subset_Layer1
group subset_Layer1 id 5271 5272 5273 5274 5275 5276 5277 5278 5279 5280
480 atoms in group subset_Layer1
group subset_Layer1 id 5281 5282 5283 5284 5285 5286 5287 5288 5289 5290
490 atoms in group subset_Layer1
group subset_Layer1 id 5291 5292 5293 5294 5295 5296 5297 5298 5299 5300
500 atoms in group subset_Layer1
group subset_Layer1 id 5301 5302 5303 5304 5305 5306 5307 5308 5309 5310
510 atoms in group subset_Layer1
group subset_Layer1 id 5311 5312 5313 5314 5315 5316 5317 5318 5319 5320
520 atoms in group subset_Layer1
group subset_Layer1 id 5321 5322 5323 5324 5325 5326 5327 5328 5329 5330
530 atoms in group subset_Layer1
group subset_Layer1 id 5331 5332 5333 5334 5335 5336 5337 5338 5339 5340
540 atoms in group subset_Layer1
group subset_Layer1 id 5341 5342 5343 5344 5345 5346 5347 5348 5349 5350
550 atoms in group subset_Layer1
group subset_Layer1 id 5351 5352 5353 5354 5355 5356 5357 5358 5359 5360
560 atoms in group subset_Layer1
group subset_Layer1 id 5361 5362 5363 5364 5365 5366 5367 5368 5369 5370
570 atoms in group subset_Layer1
group subset_Layer1 id 5371 5372 5373 5374 5375 5376 5377 5378 5379 5380
580 atoms in group subset_Layer1
group subset_Layer1 id 5381 5382 5383 5384 5385 5386 5387 5388 5389 5390
590 atoms in group subset_Layer1
group subset_Layer1 id 5391 5392 5393 5394 5395 5396 5397 5398 5399 5400
600 atoms in group subset_Layer1
group subset_Layer1 id 5401 5402 5403 5404 5405 5406 5407 5408 5409 5410
610 atoms in group subset_Layer1
group subset_Layer1 id 5411 5412 5413 5414 5415 5416 5417 5418 5419 5420
620 atoms in group subset_Layer1
group subset_Layer1 id 5421 5422 5423 5424 5425 5426 5427 5428 5429 5430
630 atoms in group subset_Layer1
group subset_Layer1 id 5431 5432 5433 5434 5435 5436 5437 5438 5439 5440
640 atoms in group subset_Layer1
group subset_Layer1 id 5441 5442 5443 5444 5445 5446 5447 5448 5449 5450
650 atoms in group subset_Layer1
group subset_Layer1 id 5451 5452 5453 5454 5455 5456 5457 5458 5459 5460
660 atoms in group subset_Layer1
group subset_Layer1 id 5461 5462 5463 5464 5465 5466 5467 5468 5469 5470
670 atoms in group subset_Layer1
group subset_Layer1 id 5471 5472 5473 5474 5475 5476 5477 5478 5479 5480
680 atoms in group subset_Layer1
group subset_Layer1 id 5481 5482 5483 5484 5485 5486 5487 5488 5489 5490
690 atoms in group subset_Layer1
group subset_Layer1 id 5491 5492 5493 5494 5495 5496 5497 5498 5499 5500
700 atoms in group subset_Layer1
group subset_Layer1 id 5501 5502 5503 5504 5505 5506 5507 5508 5509 5510
710 atoms in group subset_Layer1
group subset_Layer1 id 5511 5512 5513 5514 5515 5516 5517 5518 5519 5520
720 atoms in group subset_Layer1
group subset_Layer1 id 5521 5522 5523 5524 5525 5526 5527 5528 5529 5530
730 atoms in group subset_Layer1
group subset_Layer1 id 5531 5532 5533 5534 5535 5536 5537 5538 5539 5540
740 atoms in group subset_Layer1
group subset_Layer1 id 5541 5542 5543 5544 5545 5546 5547 5548 5549 5550
750 atoms in group subset_Layer1
group subset_Layer1 id 5551 5552 5553 5554 5555 5556 5557 5558 5559 5560
760 atoms in group subset_Layer1
group subset_Layer1 id 5561 5562 5563 5564 5565 5566 5567 5568 5569 5570
770 atoms in group subset_Layer1
group subset_Layer1 id 5571 5572 5573 5574 5575 5576 5577 5578 5579 5580
780 atoms in group subset_Layer1
group subset_Layer1 id 5581 5582 5583 5584 5585 5586 5587 5588 5589 5590
790 atoms in group subset_Layer1
group subset_Layer1 id 5591 5592 5593 5594 5595 5596 5597 5598 5599 5600
800 atoms in group subset_Layer1
group subset_Layer1 id 5601 5602 5603 5604 5605 5606 5607 5608 5609 5610
810 atoms in group subset_Layer1
group subset_Layer1 id 5611 5612 5613 5614 5615 5616 5617 5618 5619 5620
820 atoms in group subset_Layer1
group subset_Layer1 id 5621 5622 5623 5624 5625 5626 5627 5628 5629 5630
830 atoms in group subset_Layer1
group subset_Layer1 id 5631 5632 5633 5634 5635 5636 5637 5638 5639 5640
840 atoms in group subset_Layer1
group subset_Layer1 id 5641 5642 5643 5644 5645 5646 5647 5648 5649 5650
850 atoms in group subset_Layer1
group subset_Layer1 id 5651 5652 5653 5654 5655 5656 5657 5658 5659 5660
860 atoms in group subset_Layer1
group subset_Layer1 id 5661 5662 5663 5664 5665 5666 5667 5668 5669 5670
870 atoms in group subset_Layer1
group subset_Layer1 id 5671 5672 5673 5674 5675 5676 5677 5678 5679 5680
880 atoms in group subset_Layer1
group subset_Layer1 id 5681 5682 5683 5684 5685 5686 5687 5688 5689 5690
890 atoms in group subset_Layer1
group subset_Layer1 id 5691 5692 5693 5694 5695 5696 5697 5698 5699 5700
900 atoms in group subset_Layer1
group subset_Layer1 id 5701 5702 5703 5704 5705 5706 5707 5708 5709 5710
910 atoms in group subset_Layer1
group subset_Layer1 id 5711 5712 5713 5714 5715 5716 5717 5718 5719 5720
920 atoms in group subset_Layer1
group subset_Layer1 id 5721 5722 5723 5724 5725 5726 5727 5728 5729 5730
930 atoms in group subset_Layer1
group subset_Layer1 id 5731 5732 5733 5734 5735 5736 5737 5738 5739 5740
940 atoms in group subset_Layer1
group subset_Layer1 id 5741 5742 5743 5744 5745 5746 5747 5748 5749 5750
950 atoms in group subset_Layer1
group subset_Layer1 id 5751 5752 5753 5754 5755 5756 5757 5758 5759 5760
960 atoms in group subset_Layer1
group subset_Layer1 id 5761 5762 5763 5764 5765 5766 5767 5768 5769 5770
970 atoms in group subset_Layer1
group subset_Layer1 id 5771 5772 5773 5774 5775 5776 5777 5778 5779 5780
980 atoms in group subset_Layer1
group subset_Layer1 id 5781 5782 5783 5784 5785 5786 5787 5788 5789 5790
990 atoms in group subset_Layer1
group subset_Layer1 id 5791 5792 5793 5794 5795 5796 5797 5798 5799 5800
1000 atoms in group subset_Layer1
group subset_Layer1 id 5801 5802 5803 5804 5805 5806 5807 5808 5809 5810
1010 atoms in group subset_Layer1
group subset_Layer1 id 5811 5812 5813 5814 5815 5816 5817 5818 5819 5820
1020 atoms in group subset_Layer1
group subset_Layer1 id 5821 5822 5823 5824 5825 5826 5827 5828 5829 5830
1030 atoms in group subset_Layer1
group subset_Layer1 id 5831 5832 5833 5834 5835 5836 5837 5838 5839 5840
1040 atoms in group subset_Layer1
group subset_Layer1 id 5841 5842 5843 5844 5845 5846 5847 5848 5849 5850
1050 atoms in group subset_Layer1
group subset_Layer1 id 5851 5852 5853 5854 5855 5856 5857 5858 5859 5860
1060 atoms in group subset_Layer1
group subset_Layer1 id 5861 5862 5863 5864 5865 5866 5867 5868 5869 5870
1070 atoms in group subset_Layer1
group subset_Layer1 id 5871 5872 5873 5874 5875 5876 5877 5878 5879 5880
1080 atoms in group subset_Layer1
group subset_Layer1 id 5881 5882 5883 5884 5885 5886 5887 5888 5889 5890
1090 atoms in group subset_Layer1
group subset_Layer1 id 5891 5892 5893 5894 5895 5896 5897 5898 5899 5900
1100 atoms in group subset_Layer1
group subset_Layer1 id 5901 5902 5903 5904 5905 5906 5907 5908 5909 5910
1110 atoms in group subset_Layer1
group subset_Layer1 id 5911 5912 5913 5914 5915 5916 5917 5918 5919 5920
1120 atoms in group subset_Layer1
group subset_Layer1 id 5921 5922 5923 5924 5925 5926 5927 5928 5929 5930
1130 atoms in group subset_Layer1
group subset_Layer1 id 5931 5932 5933 5934 5935 5936 5937 5938 5939 5940
1140 atoms in group subset_Layer1
group subset_Layer1 id 5941 5942 5943 5944 5945 5946 5947 5948 5949 5950
1150 atoms in group subset_Layer1
group subset_Layer1 id 5951 5952 5953 5954 5955 5956 5957 5958 5959 5960
1160 atoms in group subset_Layer1
group subset_Layer1 id 5961 5962 5963 5964 5965 5966 5967 5968 5969 5970
1170 atoms in group subset_Layer1
group subset_Layer1 id 5971 5972 5973 5974 5975 5976 5977 5978 5979 5980
1180 atoms in group subset_Layer1
group subset_Layer1 id 5981 5982 5983 5984 5985 5986 5987 5988 5989 5990
1190 atoms in group subset_Layer1
group subset_Layer1 id 5991 5992 5993 5994 5995 5996 5997 5998 5999 6000
1200 atoms in group subset_Layer1
group subset_Layer1 id 6001 6002 6003 6004 6005 6006 6007 6008 6009 6010
1210 atoms in group subset_Layer1
group subset_Layer1 id 6011 6012 6013 6014 6015 6016 6017 6018 6019 6020
1220 atoms in group subset_Layer1
group subset_Layer1 id 6021 6022 6023 6024 6025 6026 6027 6028 6029 6030
1230 atoms in group subset_Layer1
group subset_Layer1 id 6031 6032 6033 6034 6035 6036 6037 6038 6039 6040
1240 atoms in group subset_Layer1
group subset_Layer1 id 6041 6042 6043 6044 6045 6046 6047 6048 6049 6050
1250 atoms in group subset_Layer1
group subset_Layer1 id 6051 6052 6053 6054 6055 6056 6057 6058 6059 6060
1260 atoms in group subset_Layer1
group subset_Layer1 id 6061 6062 6063 6064 6065 6066 6067 6068 6069 6070
1270 atoms in group subset_Layer1
group subset_Layer1 id 6071 6072 6073 6074 6075 6076 6077 6078 6079 6080
1280 atoms in group subset_Layer1
group subset_Layer1 id 6081 6082 6083 6084 6085 6086 6087 6088 6089 6090
1290 atoms in group subset_Layer1
group subset_Layer1 id 6091 6092 6093 6094 6095 6096 6097 6098 6099 6100
1300 atoms in group subset_Layer1
group subset_Layer1 id 6101 6102 6103 6104 6105 6106 6107 6108 6109 6110
1310 atoms in group subset_Layer1
group subset_Layer1 id 6111 6112 6113 6114 6115 6116 6117 6118 6119 6120
1320 atoms in group subset_Layer1
group subset_Layer1 id 6121 6122 6123 6124 6125 6126 6127 6128 6129 6130
1330 atoms in group subset_Layer1
group subset_Layer1 id 6131 6132 6133 6134 6135 6136 6137 6138 6139 6140
1340 atoms in group subset_Layer1
group subset_Layer1 id 6141 6142 6143 6144 6145 6146 6147 6148 6149 6150
1350 atoms in group subset_Layer1
group subset_Layer1 id 6151 6152 6153 6154 6155 6156 6157 6158 6159 6160
1360 atoms in group subset_Layer1
group subset_Layer1 id 6161 6162 6163 6164 6165 6166 6167 6168 6169 6170
1370 atoms in group subset_Layer1
group subset_Layer1 id 6171 6172 6173 6174 6175 6176 6177 6178 6179 6180
1380 atoms in group subset_Layer1
group subset_Layer1 id 6181 6182 6183 6184 6185 6186 6187 6188 6189 6190
1390 atoms in group subset_Layer1
group subset_Layer1 id 6191 6192 6193 6194 6195 6196 6197 6198 6199 6200
1400 atoms in group subset_Layer1
group subset_Layer1 id 6201 6202 6203 6204 6205 6206 6207 6208 6209 6210
1410 atoms in group subset_Layer1
group subset_Layer1 id 6211 6212 6213 6214 6215 6216 6217 6218 6219 6220
1420 atoms in group subset_Layer1
group subset_Layer1 id 6221 6222 6223 6224 6225 6226 6227 6228 6229 6230
1430 atoms in group subset_Layer1
group subset_Layer1 id 6231 6232 6233 6234 6235 6236 6237 6238 6239 6240
1440 atoms in group subset_Layer1
group subset_Layer1 id 6241 6242 6243 6244 6245 6246 6247 6248 6249 6250
1450 atoms in group subset_Layer1
group subset_Layer1 id 6251 6252 6253 6254 6255 6256 6257 6258 6259 6260
1460 atoms in group subset_Layer1
group subset_Layer1 id 6261 6262 6263 6264 6265 6266 6267 6268 6269 6270
1470 atoms in group subset_Layer1
group subset_Layer1 id 6271 6272 6273 6274 6275 6276 6277 6278 6279 6280
1480 atoms in group subset_Layer1
group subset_Layer1 id 6281 6282 6283 6284 6285 6286 6287 6288 6289 6290
1490 atoms in group subset_Layer1
group subset_Layer1 id 6291 6292 6293 6294 6295 6296 6297 6298 6299 6300
1500 atoms in group subset_Layer1
group subset_Layer1 id 6301 6302 6303 6304 6305 6306 6307 6308 6309 6310
1510 atoms in group subset_Layer1
group subset_Layer1 id 6311 6312 6313 6314 6315 6316 6317 6318 6319 6320
1520 atoms in group subset_Layer1
group subset_Layer1 id 6321 6322 6323 6324 6325 6326 6327 6328 6329 6330
1530 atoms in group subset_Layer1
group subset_Layer1 id 6331 6332 6333 6334 6335 6336 6337 6338 6339 6340
1540 atoms in group subset_Layer1
group subset_Layer1 id 6341 6342 6343 6344 6345 6346 6347 6348 6349 6350
1550 atoms in group subset_Layer1
group subset_Layer1 id 6351 6352 6353 6354 6355 6356 6357 6358 6359 6360
1560 atoms in group subset_Layer1
group subset_Layer1 id 6361 6362 6363 6364 6365 6366 6367 6368 6369 6370
1570 atoms in group subset_Layer1
group subset_Layer1 id 6371 6372 6373 6374 6375 6376 6377 6378 6379 6380
1580 atoms in group subset_Layer1
group subset_Layer1 id 6381 6382 6383 6384 6385 6386 6387 6388 6389 6390
1590 atoms in group subset_Layer1
group subset_Layer1 id 6391 6392 6393 6394 6395 6396 6397 6398 6399 6400
1600 atoms in group subset_Layer1
group subset_Layer1 id 6401 6402 6403 6404 6405 6406 6407 6408 6409 6410
1610 atoms in group subset_Layer1
group subset_Layer1 id 6411 6412 6413 6414 6415 6416 6417 6418 6419 6420
1620 atoms in group subset_Layer1
group subset_Layer1 id 6421 6422 6423 6424 6425 6426 6427 6428 6429 6430
1630 atoms in group subset_Layer1
group subset_Layer1 id 6431 6432 6433 6434 6435 6436 6437 6438 6439 6440
1640 atoms in group subset_Layer1
group subset_Layer1 id 6441 6442 6443 6444 6445 6446 6447 6448 6449 6450
1650 atoms in group subset_Layer1
group subset_Layer1 id 6451 6452 6453 6454 6455 6456 6457 6458 6459 6460
1660 atoms in group subset_Layer1
group subset_Layer1 id 6461 6462 6463 6464 6465 6466 6467 6468 6469 6470
1670 atoms in group subset_Layer1
group subset_Layer1 id 6471 6472 6473 6474 6475 6476 6477 6478 6479 6480
1680 atoms in group subset_Layer1
group subset_Layer1 id 6481 6482 6483 6484 6485 6486 6487 6488 6489 6490
1690 atoms in group subset_Layer1
group subset_Layer1 id 6491 6492 6493 6494 6495 6496 6497 6498 6499 6500
1700 atoms in group subset_Layer1
group subset_Layer1 id 6501 6502 6503 6504 6505 6506 6507 6508 6509 6510
1710 atoms in group subset_Layer1
group subset_Layer1 id 6511 6512 6513 6514 6515 6516 6517 6518 6519 6520
1720 atoms in group subset_Layer1
group subset_Layer1 id 6521 6522 6523 6524 6525 6526 6527 6528 6529 6530
1730 atoms in group subset_Layer1
group subset_Layer1 id 6531 6532 6533 6534 6535 6536 6537 6538 6539 6540
1740 atoms in group subset_Layer1
group subset_Layer1 id 6541 6542 6543 6544 6545 6546 6547 6548 6549 6550
1750 atoms in group subset_Layer1
group subset_Layer1 id 6551 6552 6553 6554 6555 6556 6557 6558 6559 6560
1760 atoms in group subset_Layer1
group subset_Layer1 id 6561 6562 6563 6564 6565 6566 6567 6568 6569 6570
1770 atoms in group subset_Layer1
group subset_Layer1 id 6571 6572 6573 6574 6575 6576 6577 6578 6579 6580
1780 atoms in group subset_Layer1
group subset_Layer1 id 6581 6582 6583 6584 6585 6586 6587 6588 6589 6590
1790 atoms in group subset_Layer1
group subset_Layer1 id 6591 6592 6593 6594 6595 6596 6597 6598 6599 6600
1800 atoms in group subset_Layer1
group subset_Layer1 id 6601 6602 6603 6604 6605 6606 6607 6608 6609 6610
1810 atoms in group subset_Layer1
group subset_Layer1 id 6611 6612 6613 6614 6615 6616 6617 6618 6619 6620
1820 atoms in group subset_Layer1
group subset_Layer1 id 6621 6622 6623 6624 6625 6626 6627 6628 6629 6630
1830 atoms in group subset_Layer1
group subset_Layer1 id 6631 6632 6633 6634 6635 6636 6637 6638 6639 6640
1840 atoms in group subset_Layer1
group subset_Layer1 id 6641 6642 6643 6644 6645 6646 6647 6648 6649 6650
1850 atoms in group subset_Layer1
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1860 atoms in group subset_Layer1
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1870 atoms in group subset_Layer1
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1880 atoms in group subset_Layer1
group subset_Layer1 id 6681 6682 6683 6684 6685 6686 6687 6688 6689 6690
1890 atoms in group subset_Layer1
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1900 atoms in group subset_Layer1
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1910 atoms in group subset_Layer1
group subset_Layer1 id 6711 6712 6713 6714 6715 6716 6717 6718 6719 6720
1920 atoms in group subset_Layer1
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1930 atoms in group subset_Layer1
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1940 atoms in group subset_Layer1
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1950 atoms in group subset_Layer1
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1960 atoms in group subset_Layer1
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1970 atoms in group subset_Layer1
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1980 atoms in group subset_Layer1
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1990 atoms in group subset_Layer1
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2000 atoms in group subset_Layer1
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2010 atoms in group subset_Layer1
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2020 atoms in group subset_Layer1
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2030 atoms in group subset_Layer1
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2040 atoms in group subset_Layer1
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2050 atoms in group subset_Layer1
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2060 atoms in group subset_Layer1
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2070 atoms in group subset_Layer1
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2080 atoms in group subset_Layer1
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2090 atoms in group subset_Layer1
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2100 atoms in group subset_Layer1
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2110 atoms in group subset_Layer1
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2120 atoms in group subset_Layer1
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2130 atoms in group subset_Layer1
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2140 atoms in group subset_Layer1
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2150 atoms in group subset_Layer1
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2160 atoms in group subset_Layer1
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2170 atoms in group subset_Layer1
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2180 atoms in group subset_Layer1
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2190 atoms in group subset_Layer1
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2200 atoms in group subset_Layer1
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2210 atoms in group subset_Layer1
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2220 atoms in group subset_Layer1
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2230 atoms in group subset_Layer1
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2240 atoms in group subset_Layer1
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2250 atoms in group subset_Layer1
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2260 atoms in group subset_Layer1
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2270 atoms in group subset_Layer1
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2280 atoms in group subset_Layer1
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2290 atoms in group subset_Layer1
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2300 atoms in group subset_Layer1
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2310 atoms in group subset_Layer1
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2320 atoms in group subset_Layer1
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2330 atoms in group subset_Layer1
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2340 atoms in group subset_Layer1
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2350 atoms in group subset_Layer1
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2360 atoms in group subset_Layer1
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2370 atoms in group subset_Layer1
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2380 atoms in group subset_Layer1
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2390 atoms in group subset_Layer1
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2400 atoms in group subset_Layer1
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2410 atoms in group subset_Layer1
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2420 atoms in group subset_Layer1
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2430 atoms in group subset_Layer1
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2440 atoms in group subset_Layer1
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2450 atoms in group subset_Layer1
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2460 atoms in group subset_Layer1
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2470 atoms in group subset_Layer1
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2480 atoms in group subset_Layer1
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2490 atoms in group subset_Layer1
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2500 atoms in group subset_Layer1
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2510 atoms in group subset_Layer1
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2520 atoms in group subset_Layer1
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2530 atoms in group subset_Layer1
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2540 atoms in group subset_Layer1
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2550 atoms in group subset_Layer1
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2560 atoms in group subset_Layer1
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2570 atoms in group subset_Layer1
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2580 atoms in group subset_Layer1
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2590 atoms in group subset_Layer1
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2600 atoms in group subset_Layer1
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2610 atoms in group subset_Layer1
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2620 atoms in group subset_Layer1
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2630 atoms in group subset_Layer1
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2640 atoms in group subset_Layer1
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2650 atoms in group subset_Layer1
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2660 atoms in group subset_Layer1
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2670 atoms in group subset_Layer1
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2680 atoms in group subset_Layer1
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2690 atoms in group subset_Layer1
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2700 atoms in group subset_Layer1
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2710 atoms in group subset_Layer1
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2720 atoms in group subset_Layer1
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2730 atoms in group subset_Layer1
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2740 atoms in group subset_Layer1
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2750 atoms in group subset_Layer1
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2760 atoms in group subset_Layer1
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2770 atoms in group subset_Layer1
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2780 atoms in group subset_Layer1
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2790 atoms in group subset_Layer1
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2800 atoms in group subset_Layer1
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2810 atoms in group subset_Layer1
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2820 atoms in group subset_Layer1
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2830 atoms in group subset_Layer1
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2840 atoms in group subset_Layer1
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2850 atoms in group subset_Layer1
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2860 atoms in group subset_Layer1
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2870 atoms in group subset_Layer1
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2880 atoms in group subset_Layer1
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2890 atoms in group subset_Layer1
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2900 atoms in group subset_Layer1
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2910 atoms in group subset_Layer1
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2920 atoms in group subset_Layer1
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2930 atoms in group subset_Layer1
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2940 atoms in group subset_Layer1
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2950 atoms in group subset_Layer1
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2960 atoms in group subset_Layer1
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2970 atoms in group subset_Layer1
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2980 atoms in group subset_Layer1
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2990 atoms in group subset_Layer1
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3000 atoms in group subset_Layer1
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3010 atoms in group subset_Layer1
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3020 atoms in group subset_Layer1
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3030 atoms in group subset_Layer1
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3040 atoms in group subset_Layer1
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3050 atoms in group subset_Layer1
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3060 atoms in group subset_Layer1
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3070 atoms in group subset_Layer1
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3080 atoms in group subset_Layer1
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3090 atoms in group subset_Layer1
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3100 atoms in group subset_Layer1
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3110 atoms in group subset_Layer1
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3120 atoms in group subset_Layer1
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3130 atoms in group subset_Layer1
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3140 atoms in group subset_Layer1
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3150 atoms in group subset_Layer1
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3160 atoms in group subset_Layer1
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3170 atoms in group subset_Layer1
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3180 atoms in group subset_Layer1
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3190 atoms in group subset_Layer1
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3200 atoms in group subset_Layer1
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3210 atoms in group subset_Layer1
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3220 atoms in group subset_Layer1
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3230 atoms in group subset_Layer1
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3240 atoms in group subset_Layer1
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3250 atoms in group subset_Layer1
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3260 atoms in group subset_Layer1
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3270 atoms in group subset_Layer1
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3280 atoms in group subset_Layer1
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3290 atoms in group subset_Layer1
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3300 atoms in group subset_Layer1
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3310 atoms in group subset_Layer1
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3320 atoms in group subset_Layer1
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3330 atoms in group subset_Layer1
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3340 atoms in group subset_Layer1
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3350 atoms in group subset_Layer1
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3360 atoms in group subset_Layer1
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3370 atoms in group subset_Layer1
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3380 atoms in group subset_Layer1
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3390 atoms in group subset_Layer1
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3400 atoms in group subset_Layer1
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3410 atoms in group subset_Layer1
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3420 atoms in group subset_Layer1
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3430 atoms in group subset_Layer1
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3440 atoms in group subset_Layer1
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3450 atoms in group subset_Layer1
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3460 atoms in group subset_Layer1
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3470 atoms in group subset_Layer1
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3480 atoms in group subset_Layer1
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3490 atoms in group subset_Layer1
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3500 atoms in group subset_Layer1
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3510 atoms in group subset_Layer1
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3520 atoms in group subset_Layer1
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3530 atoms in group subset_Layer1
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3540 atoms in group subset_Layer1
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3550 atoms in group subset_Layer1
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3560 atoms in group subset_Layer1
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3570 atoms in group subset_Layer1
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3580 atoms in group subset_Layer1
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3590 atoms in group subset_Layer1
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3600 atoms in group subset_Layer1
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3610 atoms in group subset_Layer1
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3620 atoms in group subset_Layer1
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3630 atoms in group subset_Layer1
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3640 atoms in group subset_Layer1
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3650 atoms in group subset_Layer1
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3660 atoms in group subset_Layer1
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3670 atoms in group subset_Layer1
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3680 atoms in group subset_Layer1
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3690 atoms in group subset_Layer1
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3700 atoms in group subset_Layer1
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3710 atoms in group subset_Layer1
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3720 atoms in group subset_Layer1
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3730 atoms in group subset_Layer1
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3740 atoms in group subset_Layer1
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3750 atoms in group subset_Layer1
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3760 atoms in group subset_Layer1
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3770 atoms in group subset_Layer1
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3780 atoms in group subset_Layer1
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3790 atoms in group subset_Layer1
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3800 atoms in group subset_Layer1
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3810 atoms in group subset_Layer1
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3820 atoms in group subset_Layer1
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3830 atoms in group subset_Layer1
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3840 atoms in group subset_Layer1
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3850 atoms in group subset_Layer1
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3860 atoms in group subset_Layer1
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3870 atoms in group subset_Layer1
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3880 atoms in group subset_Layer1
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3890 atoms in group subset_Layer1
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3900 atoms in group subset_Layer1
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3910 atoms in group subset_Layer1
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3920 atoms in group subset_Layer1
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3930 atoms in group subset_Layer1
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3940 atoms in group subset_Layer1
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3950 atoms in group subset_Layer1
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3960 atoms in group subset_Layer1
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3970 atoms in group subset_Layer1
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3980 atoms in group subset_Layer1
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3990 atoms in group subset_Layer1
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4000 atoms in group subset_Layer1
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4010 atoms in group subset_Layer1
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4020 atoms in group subset_Layer1
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4030 atoms in group subset_Layer1
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4040 atoms in group subset_Layer1
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4050 atoms in group subset_Layer1
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4060 atoms in group subset_Layer1
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4070 atoms in group subset_Layer1
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4080 atoms in group subset_Layer1
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4090 atoms in group subset_Layer1
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4100 atoms in group subset_Layer1
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4110 atoms in group subset_Layer1
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4120 atoms in group subset_Layer1
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4130 atoms in group subset_Layer1
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4140 atoms in group subset_Layer1
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4150 atoms in group subset_Layer1
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4160 atoms in group subset_Layer1
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4170 atoms in group subset_Layer1
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4180 atoms in group subset_Layer1
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4190 atoms in group subset_Layer1
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4200 atoms in group subset_Layer1
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4210 atoms in group subset_Layer1
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4220 atoms in group subset_Layer1
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4230 atoms in group subset_Layer1
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4240 atoms in group subset_Layer1
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4250 atoms in group subset_Layer1
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4260 atoms in group subset_Layer1
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4270 atoms in group subset_Layer1
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4280 atoms in group subset_Layer1
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4290 atoms in group subset_Layer1
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4300 atoms in group subset_Layer1
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4310 atoms in group subset_Layer1
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4320 atoms in group subset_Layer1
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4330 atoms in group subset_Layer1
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4340 atoms in group subset_Layer1
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4350 atoms in group subset_Layer1
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4360 atoms in group subset_Layer1
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4370 atoms in group subset_Layer1
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4380 atoms in group subset_Layer1
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4390 atoms in group subset_Layer1
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4400 atoms in group subset_Layer1
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4410 atoms in group subset_Layer1
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4420 atoms in group subset_Layer1
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4430 atoms in group subset_Layer1
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4440 atoms in group subset_Layer1
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4450 atoms in group subset_Layer1
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4460 atoms in group subset_Layer1
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4470 atoms in group subset_Layer1
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4480 atoms in group subset_Layer1
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4490 atoms in group subset_Layer1
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4500 atoms in group subset_Layer1
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4510 atoms in group subset_Layer1
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4520 atoms in group subset_Layer1
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4530 atoms in group subset_Layer1
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4540 atoms in group subset_Layer1
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4550 atoms in group subset_Layer1
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4560 atoms in group subset_Layer1
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4570 atoms in group subset_Layer1
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4580 atoms in group subset_Layer1
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4590 atoms in group subset_Layer1
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4600 atoms in group subset_Layer1
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4610 atoms in group subset_Layer1
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4620 atoms in group subset_Layer1
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4630 atoms in group subset_Layer1
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4640 atoms in group subset_Layer1
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4650 atoms in group subset_Layer1
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4660 atoms in group subset_Layer1
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4670 atoms in group subset_Layer1
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4680 atoms in group subset_Layer1
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4690 atoms in group subset_Layer1
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4700 atoms in group subset_Layer1
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4710 atoms in group subset_Layer1
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4720 atoms in group subset_Layer1
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4730 atoms in group subset_Layer1
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4740 atoms in group subset_Layer1
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4750 atoms in group subset_Layer1
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4760 atoms in group subset_Layer1
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4770 atoms in group subset_Layer1
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4780 atoms in group subset_Layer1
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4790 atoms in group subset_Layer1
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4800 atoms in group subset_Layer1
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4810 atoms in group subset_Layer1
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4820 atoms in group subset_Layer1
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4830 atoms in group subset_Layer1
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4840 atoms in group subset_Layer1
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4850 atoms in group subset_Layer1
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4860 atoms in group subset_Layer1
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4870 atoms in group subset_Layer1
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4880 atoms in group subset_Layer1
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4890 atoms in group subset_Layer1
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4900 atoms in group subset_Layer1
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4910 atoms in group subset_Layer1
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4920 atoms in group subset_Layer1
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4930 atoms in group subset_Layer1
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4940 atoms in group subset_Layer1
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4950 atoms in group subset_Layer1
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4960 atoms in group subset_Layer1
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4970 atoms in group subset_Layer1
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4980 atoms in group subset_Layer1
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4990 atoms in group subset_Layer1
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5000 atoms in group subset_Layer1
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5010 atoms in group subset_Layer1
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5020 atoms in group subset_Layer1
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5030 atoms in group subset_Layer1
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5040 atoms in group subset_Layer1
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5050 atoms in group subset_Layer1
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5060 atoms in group subset_Layer1
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5070 atoms in group subset_Layer1
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5080 atoms in group subset_Layer1
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5090 atoms in group subset_Layer1
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5100 atoms in group subset_Layer1
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5110 atoms in group subset_Layer1
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5120 atoms in group subset_Layer1
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5130 atoms in group subset_Layer1
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5140 atoms in group subset_Layer1
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5150 atoms in group subset_Layer1
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5160 atoms in group subset_Layer1
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5170 atoms in group subset_Layer1
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5180 atoms in group subset_Layer1
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5190 atoms in group subset_Layer1
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5200 atoms in group subset_Layer1
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5210 atoms in group subset_Layer1
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5220 atoms in group subset_Layer1
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5230 atoms in group subset_Layer1
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5240 atoms in group subset_Layer1
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5250 atoms in group subset_Layer1
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5260 atoms in group subset_Layer1
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5270 atoms in group subset_Layer1
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5280 atoms in group subset_Layer1
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5290 atoms in group subset_Layer1
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5300 atoms in group subset_Layer1
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5310 atoms in group subset_Layer1
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5320 atoms in group subset_Layer1
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5330 atoms in group subset_Layer1
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5340 atoms in group subset_Layer1
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5350 atoms in group subset_Layer1
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5360 atoms in group subset_Layer1
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5370 atoms in group subset_Layer1
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5380 atoms in group subset_Layer1
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5390 atoms in group subset_Layer1
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5400 atoms in group subset_Layer1
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5410 atoms in group subset_Layer1
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5420 atoms in group subset_Layer1
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5430 atoms in group subset_Layer1
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5440 atoms in group subset_Layer1
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5450 atoms in group subset_Layer1
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5460 atoms in group subset_Layer1
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5470 atoms in group subset_Layer1
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5480 atoms in group subset_Layer1
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5490 atoms in group subset_Layer1
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5500 atoms in group subset_Layer1
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5510 atoms in group subset_Layer1
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5520 atoms in group subset_Layer1
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5530 atoms in group subset_Layer1
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5540 atoms in group subset_Layer1
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5550 atoms in group subset_Layer1
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5560 atoms in group subset_Layer1
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5570 atoms in group subset_Layer1
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5580 atoms in group subset_Layer1
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5590 atoms in group subset_Layer1
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5600 atoms in group subset_Layer1
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5610 atoms in group subset_Layer1
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5620 atoms in group subset_Layer1
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5630 atoms in group subset_Layer1
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5640 atoms in group subset_Layer1
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5650 atoms in group subset_Layer1
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5660 atoms in group subset_Layer1
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5670 atoms in group subset_Layer1
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5680 atoms in group subset_Layer1
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5690 atoms in group subset_Layer1
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5700 atoms in group subset_Layer1
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5710 atoms in group subset_Layer1
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5720 atoms in group subset_Layer1
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5730 atoms in group subset_Layer1
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5740 atoms in group subset_Layer1
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5750 atoms in group subset_Layer1
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5760 atoms in group subset_Layer1
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5770 atoms in group subset_Layer1
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5780 atoms in group subset_Layer1
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5790 atoms in group subset_Layer1
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5800 atoms in group subset_Layer1
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5810 atoms in group subset_Layer1
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5820 atoms in group subset_Layer1
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5830 atoms in group subset_Layer1
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5840 atoms in group subset_Layer1
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5850 atoms in group subset_Layer1
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5860 atoms in group subset_Layer1
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5870 atoms in group subset_Layer1
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5880 atoms in group subset_Layer1
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5890 atoms in group subset_Layer1
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5900 atoms in group subset_Layer1
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5910 atoms in group subset_Layer1
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5920 atoms in group subset_Layer1
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5930 atoms in group subset_Layer1
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5940 atoms in group subset_Layer1
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5950 atoms in group subset_Layer1
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5960 atoms in group subset_Layer1
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5970 atoms in group subset_Layer1
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5980 atoms in group subset_Layer1
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5990 atoms in group subset_Layer1
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6000 atoms in group subset_Layer1
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6010 atoms in group subset_Layer1
group subset_Layer1 id 10811 10812 10813 10814 10815 10816 10817 10818 10819 10820
6020 atoms in group subset_Layer1
group subset_Layer1 id 10821 10822 10823 10824 10825 10826 10827 10828 10829 10830
6030 atoms in group subset_Layer1
group subset_Layer1 id 10831 10832 10833 10834 10835 10836 10837 10838 10839 10840
6040 atoms in group subset_Layer1
group subset_Layer1 id 10841 10842 10843 10844 10845 10846 10847 10848 10849 10850
6050 atoms in group subset_Layer1
group subset_Layer1 id 10851 10852 10853 10854 10855 10856 10857 10858 10859 10860
6060 atoms in group subset_Layer1
group subset_Layer1 id 10861 10862 10863 10864 10865 10866 10867 10868 10869 10870
6070 atoms in group subset_Layer1
group subset_Layer1 id 10871 10872 10873 10874 10875 10876 10877 10878 10879 10880
6080 atoms in group subset_Layer1
group subset_Layer1 id 10881 10882 10883 10884 10885 10886 10887 10888 10889 10890
6090 atoms in group subset_Layer1
group subset_Layer1 id 10891 10892 10893 10894 10895 10896 10897 10898 10899 10900
6100 atoms in group subset_Layer1
group subset_Layer1 id 10901 10902 10903 10904 10905 10906 10907 10908 10909 10910
6110 atoms in group subset_Layer1
group subset_Layer1 id 10911 10912 10913 10914 10915 10916 10917 10918 10919 10920
6120 atoms in group subset_Layer1
group subset_Layer1 id 10921 10922 10923 10924 10925 10926 10927 10928 10929 10930
6130 atoms in group subset_Layer1
group subset_Layer1 id 10931 10932 10933 10934 10935 10936 10937 10938 10939 10940
6140 atoms in group subset_Layer1
group subset_Layer1 id 10941 10942 10943 10944 10945 10946 10947 10948 10949 10950
6150 atoms in group subset_Layer1
group subset_Layer1 id 10951 10952 10953 10954 10955 10956 10957 10958 10959 10960
6160 atoms in group subset_Layer1
group subset_Layer1 id 10961 10962 10963 10964 10965 10966 10967 10968 10969 10970
6170 atoms in group subset_Layer1
group subset_Layer1 id 10971 10972 10973 10974 10975 10976 10977 10978 10979 10980
6180 atoms in group subset_Layer1
group subset_Layer1 id 10981 10982 10983 10984 10985 10986 10987 10988 10989 10990
6190 atoms in group subset_Layer1
group subset_Layer1 id 10991 10992 10993 10994 10995 10996 10997 10998 10999 11000
6200 atoms in group subset_Layer1
group subset_Layer1 id 11001 11002 11003 11004 11005 11006 11007 11008 11009 11010
6210 atoms in group subset_Layer1
group subset_Layer1 id 11011 11012 11013 11014 11015 11016 11017 11018 11019 11020
6220 atoms in group subset_Layer1
group subset_Layer1 id 11021 11022 11023 11024 11025 11026 11027 11028 11029 11030
6230 atoms in group subset_Layer1
group subset_Layer1 id 11031 11032 11033 11034 11035 11036 11037 11038 11039 11040
6240 atoms in group subset_Layer1
group subset_Layer1 id 11041 11042 11043 11044 11045 11046 11047 11048 11049 11050
6250 atoms in group subset_Layer1
group subset_Layer1 id 11051 11052 11053 11054 11055 11056 11057 11058 11059 11060
6260 atoms in group subset_Layer1
group subset_Layer1 id 11061 11062 11063 11064 11065 11066 11067 11068 11069 11070
6270 atoms in group subset_Layer1
group subset_Layer1 id 11071 11072 11073 11074 11075 11076 11077 11078 11079 11080
6280 atoms in group subset_Layer1
group subset_Layer1 id 11081 11082 11083 11084 11085 11086 11087 11088 11089 11090
6290 atoms in group subset_Layer1
group subset_Layer1 id 11091 11092 11093 11094 11095 11096 11097 11098 11099 11100
6300 atoms in group subset_Layer1
group subset_Layer1 id 11101 11102 11103 11104 11105 11106 11107 11108 11109 11110
6310 atoms in group subset_Layer1
group subset_Layer1 id 11111 11112 11113 11114 11115 11116 11117 11118 11119 11120
6320 atoms in group subset_Layer1
group subset_Layer1 id 11121 11122 11123 11124 11125 11126 11127 11128 11129 11130
6330 atoms in group subset_Layer1
group subset_Layer1 id 11131 11132 11133 11134 11135 11136 11137 11138 11139 11140
6340 atoms in group subset_Layer1
group subset_Layer1 id 11141 11142 11143 11144 11145 11146 11147 11148 11149 11150
6350 atoms in group subset_Layer1
group subset_Layer1 id 11151 11152 11153 11154 11155 11156 11157 11158 11159 11160
6360 atoms in group subset_Layer1
group subset_Layer1 id 11161 11162 11163 11164 11165 11166 11167 11168 11169 11170
6370 atoms in group subset_Layer1
group subset_Layer1 id 11171 11172 11173 11174 11175 11176 11177 11178 11179 11180
6380 atoms in group subset_Layer1
group subset_Layer1 id 11181 11182 11183 11184 11185 11186 11187 11188 11189 11190
6390 atoms in group subset_Layer1
group subset_Layer1 id 11191 11192 11193 11194 11195 11196 11197 11198 11199 11200
6400 atoms in group subset_Layer1
group subset_Layer1 id 11201 11202 11203 11204 11205 11206 11207 11208 11209 11210
6410 atoms in group subset_Layer1
group subset_Layer1 id 11211 11212 11213 11214 11215 11216 11217 11218 11219 11220
6420 atoms in group subset_Layer1
group subset_Layer1 id 11221 11222 11223 11224 11225 11226 11227 11228 11229 11230
6430 atoms in group subset_Layer1
group subset_Layer1 id 11231 11232 11233 11234 11235 11236 11237 11238 11239 11240
6440 atoms in group subset_Layer1
group subset_Layer1 id 11241 11242 11243 11244 11245 11246 11247 11248 11249 11250
6450 atoms in group subset_Layer1
group subset_Layer1 id 11251 11252 11253 11254 11255 11256 11257 11258 11259 11260
6460 atoms in group subset_Layer1
group subset_Layer1 id 11261 11262 11263 11264 11265 11266 11267 11268 11269 11270
6470 atoms in group subset_Layer1
group subset_Layer1 id 11271 11272 11273 11274 11275 11276 11277 11278 11279 11280
6480 atoms in group subset_Layer1
group subset_Layer1 id 11281 11282 11283 11284 11285 11286 11287 11288 11289 11290
6490 atoms in group subset_Layer1
group subset_Layer1 id 11291 11292 11293 11294 11295 11296 11297 11298 11299 11300
6500 atoms in group subset_Layer1
group subset_Layer1 id 11301 11302 11303 11304 11305 11306 11307 11308 11309 11310
6510 atoms in group subset_Layer1
group subset_Layer1 id 11311 11312 11313 11314 11315 11316 11317 11318 11319 11320
6520 atoms in group subset_Layer1
group subset_Layer1 id 11321 11322 11323 11324 11325 11326 11327 11328 11329 11330
6530 atoms in group subset_Layer1
group subset_Layer1 id 11331 11332 11333 11334 11335 11336 11337 11338 11339 11340
6540 atoms in group subset_Layer1
group subset_Layer1 id 11341 11342 11343 11344 11345 11346 11347 11348 11349 11350
6550 atoms in group subset_Layer1
group subset_Layer1 id 11351 11352 11353 11354 11355 11356 11357 11358 11359 11360
6560 atoms in group subset_Layer1
group subset_Layer1 id 11361 11362 11363 11364 11365 11366 11367 11368 11369 11370
6570 atoms in group subset_Layer1
group subset_Layer1 id 11371 11372 11373 11374 11375 11376 11377 11378 11379 11380
6580 atoms in group subset_Layer1
group subset_Layer1 id 11381 11382 11383 11384 11385 11386 11387 11388 11389 11390
6590 atoms in group subset_Layer1
group subset_Layer1 id 11391 11392 11393 11394 11395 11396 11397 11398 11399 11400
6600 atoms in group subset_Layer1
group subset_Layer1 id 11401 11402 11403 11404 11405 11406 11407 11408 11409 11410
6610 atoms in group subset_Layer1
group subset_Layer1 id 11411 11412 11413 11414 11415 11416 11417 11418 11419 11420
6620 atoms in group subset_Layer1
group subset_Layer1 id 11421 11422 11423 11424 11425 11426 11427 11428 11429 11430
6630 atoms in group subset_Layer1
group subset_Layer1 id 11431 11432 11433 11434 11435 11436 11437 11438 11439 11440
6640 atoms in group subset_Layer1
group subset_Layer1 id 11441 11442 11443 11444 11445 11446 11447 11448 11449 11450
6650 atoms in group subset_Layer1
group subset_Layer1 id 11451 11452 11453 11454 11455 11456 11457 11458 11459 11460
6660 atoms in group subset_Layer1
group subset_Layer1 id 11461 11462 11463 11464 11465 11466 11467 11468 11469 11470
6670 atoms in group subset_Layer1
group subset_Layer1 id 11471 11472 11473 11474 11475 11476 11477 11478 11479 11480
6680 atoms in group subset_Layer1
group subset_Layer1 id 11481 11482 11483 11484 11485 11486 11487 11488 11489 11490
6690 atoms in group subset_Layer1
group subset_Layer1 id 11491 11492 11493 11494 11495 11496 11497 11498 11499 11500
6700 atoms in group subset_Layer1
group subset_Layer1 id 11501 11502 11503 11504 11505 11506 11507 11508 11509 11510
6710 atoms in group subset_Layer1
group subset_Layer1 id 11511 11512 11513 11514 11515 11516 11517 11518 11519 11520
6720 atoms in group subset_Layer1
group subset_Layer1 id 11521 11522 11523 11524 11525 11526 11527 11528 11529 11530
6730 atoms in group subset_Layer1
group subset_Layer1 id 11531 11532 11533 11534 11535 11536 11537 11538 11539 11540
6740 atoms in group subset_Layer1
group subset_Layer1 id 11541 11542 11543 11544 11545 11546 11547 11548 11549 11550
6750 atoms in group subset_Layer1
group subset_Layer1 id 11551 11552 11553 11554 11555 11556 11557 11558 11559 11560
6760 atoms in group subset_Layer1
group subset_Layer1 id 11561 11562 11563 11564 11565 11566 11567 11568 11569 11570
6770 atoms in group subset_Layer1
group subset_Layer1 id 11571 11572 11573 11574 11575 11576 11577 11578 11579 11580
6780 atoms in group subset_Layer1
group subset_Layer1 id 11581 11582 11583 11584 11585 11586 11587 11588 11589 11590
6790 atoms in group subset_Layer1
group subset_Layer1 id 11591 11592 11593 11594 11595 11596 11597 11598 11599 11600
6800 atoms in group subset_Layer1
group subset_Layer1 id 11601 11602 11603 11604 11605 11606 11607 11608 11609 11610
6810 atoms in group subset_Layer1
group subset_Layer1 id 11611 11612 11613 11614 11615 11616 11617 11618 11619 11620
6820 atoms in group subset_Layer1
group subset_Layer1 id 11621 11622 11623 11624 11625 11626 11627 11628 11629 11630
6830 atoms in group subset_Layer1
group subset_Layer1 id 11631 11632 11633 11634 11635 11636 11637 11638 11639 11640
6840 atoms in group subset_Layer1
group subset_Layer1 id 11641 11642 11643 11644 11645 11646 11647 11648 11649 11650
6850 atoms in group subset_Layer1
group subset_Layer1 id 11651 11652 11653 11654 11655 11656 11657 11658 11659 11660
6860 atoms in group subset_Layer1
group subset_Layer1 id 11661 11662 11663 11664 11665 11666 11667 11668 11669 11670
6870 atoms in group subset_Layer1
group subset_Layer1 id 11671 11672 11673 11674 11675 11676 11677 11678 11679 11680
6880 atoms in group subset_Layer1
group subset_Layer1 id 11681 11682 11683 11684 11685 11686 11687 11688 11689 11690
6890 atoms in group subset_Layer1
group subset_Layer1 id 11691 11692 11693 11694 11695 11696 11697 11698 11699 11700
6900 atoms in group subset_Layer1
group subset_Layer1 id 11701 11702 11703 11704 11705 11706 11707 11708 11709 11710
6910 atoms in group subset_Layer1
group subset_Layer1 id 11711 11712 11713 11714 11715 11716 11717 11718 11719 11720
6920 atoms in group subset_Layer1
group subset_Layer1 id 11721 11722 11723 11724 11725 11726 11727 11728 11729 11730
6930 atoms in group subset_Layer1
group subset_Layer1 id 11731 11732 11733 11734 11735 11736 11737 11738 11739 11740
6940 atoms in group subset_Layer1
group subset_Layer1 id 11741 11742 11743 11744 11745 11746 11747 11748 11749 11750
6950 atoms in group subset_Layer1
group subset_Layer1 id 11751 11752 11753 11754 11755 11756 11757 11758 11759 11760
6960 atoms in group subset_Layer1
group subset_Layer1 id 11761 11762 11763 11764 11765 11766 11767 11768 11769 11770
6970 atoms in group subset_Layer1
group subset_Layer1 id 11771 11772 11773 11774 11775 11776 11777 11778 11779 11780
6980 atoms in group subset_Layer1
group subset_Layer1 id 11781 11782 11783 11784 11785 11786 11787 11788 11789 11790
6990 atoms in group subset_Layer1
group subset_Layer1 id 11791 11792 11793 11794 11795 11796 11797 11798 11799 11800
7000 atoms in group subset_Layer1
group subset_Layer1 id 11801 11802 11803 11804 11805 11806 11807 11808 11809 11810
7010 atoms in group subset_Layer1
group subset_Layer1 id 11811 11812 11813 11814 11815 11816 11817 11818 11819 11820
7020 atoms in group subset_Layer1
group subset_Layer1 id 11821 11822 11823 11824 11825 11826 11827 11828 11829 11830
7030 atoms in group subset_Layer1
group subset_Layer1 id 11831 11832 11833 11834 11835 11836 11837 11838 11839 11840
7040 atoms in group subset_Layer1
group subset_Layer1 id 11841 11842 11843 11844 11845 11846 11847 11848 11849 11850
7050 atoms in group subset_Layer1
group subset_Layer1 id 11851 11852 11853 11854 11855 11856 11857 11858 11859 11860
7060 atoms in group subset_Layer1
group subset_Layer1 id 11861 11862 11863 11864 11865 11866 11867 11868 11869 11870
7070 atoms in group subset_Layer1
group subset_Layer1 id 11871 11872 11873 11874 11875 11876 11877 11878 11879 11880
7080 atoms in group subset_Layer1
group subset_Layer1 id 11881 11882 11883 11884 11885 11886 11887 11888 11889 11890
7090 atoms in group subset_Layer1
group subset_Layer1 id 11891 11892 11893 11894 11895 11896 11897 11898 11899 11900
7100 atoms in group subset_Layer1
group subset_Layer1 id 11901 11902 11903 11904 11905 11906 11907 11908 11909 11910
7110 atoms in group subset_Layer1
group subset_Layer1 id 11911 11912 11913 11914 11915 11916 11917 11918 11919 11920
7120 atoms in group subset_Layer1
group subset_Layer1 id 11921 11922 11923 11924 11925 11926 11927 11928 11929 11930
7130 atoms in group subset_Layer1
group subset_Layer1 id 11931 11932 11933 11934 11935 11936 11937 11938 11939 11940
7140 atoms in group subset_Layer1
group subset_Layer1 id 11941 11942 11943 11944 11945 11946 11947 11948 11949 11950
7150 atoms in group subset_Layer1
group subset_Layer1 id 11951 11952 11953 11954 11955 11956 11957 11958 11959 11960
7160 atoms in group subset_Layer1
group subset_Layer1 id 11961 11962 11963 11964 11965 11966 11967 11968 11969 11970
7170 atoms in group subset_Layer1
group subset_Layer1 id 11971 11972 11973 11974 11975 11976 11977 11978 11979 11980
7180 atoms in group subset_Layer1
group subset_Layer1 id 11981 11982 11983 11984 11985 11986 11987 11988 11989 11990
7190 atoms in group subset_Layer1
group subset_Layer1 id 11991 11992 11993 11994 11995 11996 11997 11998 11999 12000
7200 atoms in group subset_Layer1
group subset_Layer1 id 12001 12002 12003 12004 12005 12006 12007 12008 12009 12010
7210 atoms in group subset_Layer1
group subset_Layer1 id 12011 12012 12013 12014 12015 12016 12017 12018 12019 12020
7220 atoms in group subset_Layer1
group subset_Layer1 id 12021 12022 12023 12024 12025 12026 12027 12028 12029 12030
7230 atoms in group subset_Layer1
group subset_Layer1 id 12031 12032 12033 12034 12035 12036 12037 12038 12039 12040
7240 atoms in group subset_Layer1
group subset_Layer1 id 12041 12042 12043 12044 12045 12046 12047 12048 12049 12050
7250 atoms in group subset_Layer1
group subset_Layer1 id 12051 12052 12053 12054 12055 12056 12057 12058 12059 12060
7260 atoms in group subset_Layer1
group subset_Layer1 id 12061 12062 12063 12064 12065 12066 12067 12068 12069 12070
7270 atoms in group subset_Layer1
group subset_Layer1 id 12071 12072 12073 12074 12075 12076 12077 12078 12079 12080
7280 atoms in group subset_Layer1
group subset_Layer1 id 12081 12082 12083 12084 12085 12086 12087 12088 12089 12090
7290 atoms in group subset_Layer1
group subset_Layer1 id 12091 12092 12093 12094 12095 12096 12097 12098 12099 12100
7300 atoms in group subset_Layer1
group subset_Layer1 id 12101 12102 12103 12104 12105 12106 12107 12108 12109 12110
7310 atoms in group subset_Layer1
group subset_Layer1 id 12111 12112 12113 12114 12115 12116 12117 12118 12119 12120
7320 atoms in group subset_Layer1
group subset_Layer1 id 12121 12122 12123 12124 12125 12126 12127 12128 12129 12130
7330 atoms in group subset_Layer1
group subset_Layer1 id 12131 12132 12133 12134 12135 12136 12137 12138 12139 12140
7340 atoms in group subset_Layer1
group subset_Layer1 id 12141 12142 12143 12144 12145 12146 12147 12148 12149 12150
7350 atoms in group subset_Layer1
group subset_Layer1 id 12151 12152 12153 12154 12155 12156 12157 12158 12159 12160
7360 atoms in group subset_Layer1
group subset_Layer1 id 12161 12162 12163 12164 12165 12166 12167 12168 12169 12170
7370 atoms in group subset_Layer1
group subset_Layer1 id 12171 12172 12173 12174 12175 12176 12177 12178 12179 12180
7380 atoms in group subset_Layer1
group subset_Layer1 id 12181 12182 12183 12184 12185 12186 12187 12188 12189 12190
7390 atoms in group subset_Layer1
group subset_Layer1 id 12191 12192 12193 12194 12195 12196 12197 12198 12199 12200
7400 atoms in group subset_Layer1
group subset_Layer1 id 12201 12202 12203 12204 12205 12206 12207 12208 12209 12210
7410 atoms in group subset_Layer1
group subset_Layer1 id 12211 12212 12213 12214 12215 12216 12217 12218 12219 12220
7420 atoms in group subset_Layer1
group subset_Layer1 id 12221 12222 12223 12224 12225 12226 12227 12228 12229 12230
7430 atoms in group subset_Layer1
group subset_Layer1 id 12231 12232 12233 12234 12235 12236 12237 12238 12239 12240
7440 atoms in group subset_Layer1
group subset_Layer1 id 12241 12242 12243 12244 12245 12246 12247 12248 12249 12250
7450 atoms in group subset_Layer1
group subset_Layer1 id 12251 12252 12253 12254 12255 12256 12257 12258 12259 12260
7460 atoms in group subset_Layer1
group subset_Layer1 id 12261 12262 12263 12264 12265 12266 12267 12268 12269 12270
7470 atoms in group subset_Layer1
group subset_Layer1 id 12271 12272 12273 12274 12275 12276 12277 12278 12279 12280
7480 atoms in group subset_Layer1
group subset_Layer1 id 12281 12282 12283 12284 12285 12286 12287 12288 12289 12290
7490 atoms in group subset_Layer1
group subset_Layer1 id 12291 12292 12293 12294 12295 12296 12297 12298 12299 12300
7500 atoms in group subset_Layer1
group subset_Layer1 id 12301 12302 12303 12304 12305 12306 12307 12308 12309 12310
7510 atoms in group subset_Layer1
group subset_Layer1 id 12311 12312 12313 12314 12315 12316 12317 12318 12319 12320
7520 atoms in group subset_Layer1
group subset_Layer1 id 12321 12322 12323 12324 12325 12326 12327 12328 12329 12330
7530 atoms in group subset_Layer1
group subset_Layer1 id 12331 12332 12333 12334 12335 12336 12337 12338 12339 12340
7540 atoms in group subset_Layer1
group subset_Layer1 id 12341 12342 12343 12344 12345 12346 12347 12348 12349 12350
7550 atoms in group subset_Layer1
group subset_Layer1 id 12351 12352 12353 12354 12355 12356 12357 12358 12359 12360
7560 atoms in group subset_Layer1
group subset_Layer1 id 12361 12362 12363 12364 12365 12366 12367 12368 12369 12370
7570 atoms in group subset_Layer1
group subset_Layer1 id 12371 12372 12373 12374 12375 12376 12377 12378 12379 12380
7580 atoms in group subset_Layer1
group subset_Layer1 id 12381 12382 12383 12384 12385 12386 12387 12388 12389 12390
7590 atoms in group subset_Layer1
group subset_Layer1 id 12391 12392 12393 12394 12395 12396 12397 12398 12399 12400
7600 atoms in group subset_Layer1
group subset_Layer1 id 12401 12402 12403 12404 12405 12406 12407 12408 12409 12410
7610 atoms in group subset_Layer1
group subset_Layer1 id 12411 12412 12413 12414 12415 12416 12417 12418 12419 12420
7620 atoms in group subset_Layer1
group subset_Layer1 id 12421 12422 12423 12424 12425 12426 12427 12428 12429 12430
7630 atoms in group subset_Layer1
group subset_Layer1 id 12431 12432 12433 12434 12435 12436 12437 12438 12439 12440
7640 atoms in group subset_Layer1
group subset_Layer1 id 12441 12442 12443 12444 12445 12446 12447 12448 12449 12450
7650 atoms in group subset_Layer1
group subset_Layer1 id 12451 12452 12453 12454 12455 12456 12457 12458 12459 12460
7660 atoms in group subset_Layer1
group subset_Layer1 id 12461 12462 12463 12464 12465 12466 12467 12468 12469 12470
7670 atoms in group subset_Layer1
group subset_Layer1 id 12471 12472 12473 12474 12475 12476 12477 12478 12479 12480
7680 atoms in group subset_Layer1
group subset_Layer1 id 12481 12482 12483 12484 12485 12486 12487 12488 12489 12490
7690 atoms in group subset_Layer1
group subset_Layer1 id 12491 12492 12493 12494 12495 12496 12497 12498 12499 12500
7700 atoms in group subset_Layer1
group subset_Layer1 id 12501 12502 12503 12504 12505 12506 12507 12508 12509 12510
7710 atoms in group subset_Layer1
group subset_Layer1 id 12511 12512 12513 12514 12515 12516 12517 12518 12519 12520
7720 atoms in group subset_Layer1
group subset_Layer1 id 12521 12522 12523 12524 12525 12526 12527 12528 12529 12530
7730 atoms in group subset_Layer1
group subset_Layer1 id 12531 12532 12533 12534 12535 12536 12537 12538 12539 12540
7740 atoms in group subset_Layer1
group subset_Layer1 id 12541 12542 12543 12544 12545 12546 12547 12548 12549 12550
7750 atoms in group subset_Layer1
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7760 atoms in group subset_Layer1
group subset_Layer1 id 12561 12562 12563 12564 12565 12566 12567 12568 12569 12570
7770 atoms in group subset_Layer1
group subset_Layer1 id 12571 12572 12573 12574 12575 12576 12577 12578 12579 12580
7780 atoms in group subset_Layer1
group subset_Layer1 id 12581 12582 12583 12584 12585 12586 12587 12588 12589 12590
7790 atoms in group subset_Layer1
group subset_Layer1 id 12591 12592 12593 12594 12595 12596 12597 12598 12599 12600
7800 atoms in group subset_Layer1
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7810 atoms in group subset_Layer1
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7820 atoms in group subset_Layer1
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7830 atoms in group subset_Layer1
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7840 atoms in group subset_Layer1
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7850 atoms in group subset_Layer1
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7860 atoms in group subset_Layer1
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7870 atoms in group subset_Layer1
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7880 atoms in group subset_Layer1
group subset_Layer1 id 12681 12682 12683 12684 12685 12686 12687 12688 12689 12690
7890 atoms in group subset_Layer1
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7900 atoms in group subset_Layer1
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7910 atoms in group subset_Layer1
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7920 atoms in group subset_Layer1
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7930 atoms in group subset_Layer1
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7940 atoms in group subset_Layer1
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7950 atoms in group subset_Layer1
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7960 atoms in group subset_Layer1
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7970 atoms in group subset_Layer1
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7980 atoms in group subset_Layer1
group subset_Layer1 id 12781 12782 12783 12784 12785 12786 12787 12788 12789 12790
7990 atoms in group subset_Layer1
group subset_Layer1 id 12791 12792 12793 12794 12795 12796 12797 12798 12799 12800
8000 atoms in group subset_Layer1
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group subset_Layer1 id 12811 12812 12813 12814 12815 12816 12817 12818 12819 12820
8020 atoms in group subset_Layer1
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8030 atoms in group subset_Layer1
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8040 atoms in group subset_Layer1
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8050 atoms in group subset_Layer1
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8060 atoms in group subset_Layer1
group subset_Layer1 id 12861 12862 12863 12864 12865 12866 12867 12868 12869 12870
8070 atoms in group subset_Layer1
group subset_Layer1 id 12871 12872 12873 12874 12875 12876 12877 12878 12879 12880
8080 atoms in group subset_Layer1
group subset_Layer1 id 12881 12882 12883 12884 12885 12886 12887 12888 12889 12890
8090 atoms in group subset_Layer1
group subset_Layer1 id 12891 12892 12893 12894 12895 12896 12897 12898 12899 12900
8100 atoms in group subset_Layer1
group subset_Layer1 id 12901 12902 12903 12904 12905 12906 12907 12908 12909 12910
8110 atoms in group subset_Layer1
group subset_Layer1 id 12911 12912 12913 12914 12915 12916 12917 12918 12919 12920
8120 atoms in group subset_Layer1
group subset_Layer1 id 12921 12922 12923 12924 12925 12926 12927 12928 12929 12930
8130 atoms in group subset_Layer1
group subset_Layer1 id 12931 12932 12933 12934 12935 12936 12937 12938 12939 12940
8140 atoms in group subset_Layer1
group subset_Layer1 id 12941 12942 12943 12944 12945 12946 12947 12948 12949 12950
8150 atoms in group subset_Layer1
group subset_Layer1 id 12951 12952 12953 12954 12955 12956 12957 12958 12959 12960
8160 atoms in group subset_Layer1
group subset_Layer1 id 12961 12962 12963 12964 12965 12966 12967 12968 12969 12970
8170 atoms in group subset_Layer1
group subset_Layer1 id 12971 12972 12973 12974 12975 12976 12977 12978 12979 12980
8180 atoms in group subset_Layer1
group subset_Layer1 id 12981 12982 12983 12984 12985 12986 12987 12988 12989 12990
8190 atoms in group subset_Layer1
group subset_Layer1 id 12991 12992 12993 12994 12995 12996 12997 12998 12999 13000
8200 atoms in group subset_Layer1
group subset_Layer1 id 13001 13002 13003 13004 13005 13006 13007 13008 13009 13010
8210 atoms in group subset_Layer1
group subset_Layer1 id 13011 13012 13013 13014 13015 13016 13017 13018 13019 13020
8220 atoms in group subset_Layer1
group subset_Layer1 id 13021 13022 13023 13024 13025 13026 13027 13028 13029 13030
8230 atoms in group subset_Layer1
group subset_Layer1 id 13031 13032 13033 13034 13035 13036 13037 13038 13039 13040
8240 atoms in group subset_Layer1
group subset_Layer1 id 13041 13042 13043 13044 13045 13046 13047 13048 13049 13050
8250 atoms in group subset_Layer1
group subset_Layer1 id 13051 13052 13053 13054 13055 13056 13057 13058 13059 13060
8260 atoms in group subset_Layer1
group subset_Layer1 id 13061 13062 13063 13064 13065 13066 13067 13068 13069 13070
8270 atoms in group subset_Layer1
group subset_Layer1 id 13071 13072 13073 13074 13075 13076 13077 13078 13079 13080
8280 atoms in group subset_Layer1
group subset_Layer1 id 13081 13082 13083 13084 13085 13086 13087 13088 13089 13090
8290 atoms in group subset_Layer1
group subset_Layer1 id 13091 13092 13093 13094 13095 13096 13097 13098 13099 13100
8300 atoms in group subset_Layer1
group subset_Layer1 id 13101 13102 13103 13104 13105 13106 13107 13108 13109 13110
8310 atoms in group subset_Layer1
group subset_Layer1 id 13111 13112 13113 13114 13115 13116 13117 13118 13119 13120
8320 atoms in group subset_Layer1
group subset_Layer1 id 13121 13122 13123 13124 13125 13126 13127 13128 13129 13130
8330 atoms in group subset_Layer1
group subset_Layer1 id 13131 13132 13133 13134 13135 13136 13137 13138 13139 13140
8340 atoms in group subset_Layer1
group subset_Layer1 id 13141 13142 13143 13144 13145 13146 13147 13148 13149 13150
8350 atoms in group subset_Layer1
group subset_Layer1 id 13151 13152 13153 13154 13155 13156 13157 13158 13159 13160
8360 atoms in group subset_Layer1
group subset_Layer1 id 13161 13162 13163 13164 13165 13166 13167 13168 13169 13170
8370 atoms in group subset_Layer1
group subset_Layer1 id 13171 13172 13173 13174 13175 13176 13177 13178 13179 13180
8380 atoms in group subset_Layer1
group subset_Layer1 id 13181 13182 13183 13184 13185 13186 13187 13188 13189 13190
8390 atoms in group subset_Layer1
group subset_Layer1 id 13191 13192 13193 13194 13195 13196 13197 13198 13199 13200
8400 atoms in group subset_Layer1
group subset_Layer1 id 13201 13202 13203 13204 13205 13206 13207 13208 13209 13210
8410 atoms in group subset_Layer1
group subset_Layer1 id 13211 13212 13213 13214 13215 13216 13217 13218 13219 13220
8420 atoms in group subset_Layer1
group subset_Layer1 id 13221 13222 13223 13224 13225 13226 13227 13228 13229 13230
8430 atoms in group subset_Layer1
group subset_Layer1 id 13231 13232 13233 13234 13235 13236 13237 13238 13239 13240
8440 atoms in group subset_Layer1
group subset_Layer1 id 13241 13242 13243 13244 13245 13246 13247 13248 13249 13250
8450 atoms in group subset_Layer1
group subset_Layer1 id 13251 13252 13253 13254 13255 13256 13257 13258 13259 13260
8460 atoms in group subset_Layer1
group subset_Layer1 id 13261 13262 13263 13264 13265 13266 13267 13268 13269 13270
8470 atoms in group subset_Layer1
group subset_Layer1 id 13271 13272 13273 13274 13275 13276 13277 13278 13279 13280
8480 atoms in group subset_Layer1
group subset_Layer1 id 13281 13282 13283 13284 13285 13286 13287 13288 13289 13290
8490 atoms in group subset_Layer1
group subset_Layer1 id 13291 13292 13293 13294 13295 13296 13297 13298 13299 13300
8500 atoms in group subset_Layer1
group subset_Layer1 id 13301 13302 13303 13304 13305 13306 13307 13308 13309 13310
8510 atoms in group subset_Layer1
group subset_Layer1 id 13311 13312 13313 13314 13315 13316 13317 13318 13319 13320
8520 atoms in group subset_Layer1
group subset_Layer1 id 13321 13322 13323 13324 13325 13326 13327 13328 13329 13330
8530 atoms in group subset_Layer1
group subset_Layer1 id 13331 13332 13333 13334 13335 13336 13337 13338 13339 13340
8540 atoms in group subset_Layer1
group subset_Layer1 id 13341 13342 13343 13344 13345 13346 13347 13348 13349 13350
8550 atoms in group subset_Layer1
group subset_Layer1 id 13351 13352 13353 13354 13355 13356 13357 13358 13359 13360
8560 atoms in group subset_Layer1
group subset_Layer1 id 13361 13362 13363 13364 13365 13366 13367 13368 13369 13370
8570 atoms in group subset_Layer1
group subset_Layer1 id 13371 13372 13373 13374 13375 13376 13377 13378 13379 13380
8580 atoms in group subset_Layer1
group subset_Layer1 id 13381 13382 13383 13384 13385 13386 13387 13388 13389 13390
8590 atoms in group subset_Layer1
group subset_Layer1 id 13391 13392 13393 13394 13395 13396 13397 13398 13399 13400
8600 atoms in group subset_Layer1
group subset_Layer1 id 13401 13402 13403 13404 13405 13406 13407 13408 13409 13410
8610 atoms in group subset_Layer1
group subset_Layer1 id 13411 13412 13413 13414 13415 13416 13417 13418 13419 13420
8620 atoms in group subset_Layer1
group subset_Layer1 id 13421 13422 13423 13424 13425 13426 13427 13428 13429 13430
8630 atoms in group subset_Layer1
group subset_Layer1 id 13431 13432 13433 13434 13435 13436 13437 13438 13439 13440
8640 atoms in group subset_Layer1
group subset_Layer1 id 13441 13442 13443 13444 13445 13446 13447 13448 13449 13450
8650 atoms in group subset_Layer1
group subset_Layer1 id 13451 13452 13453 13454 13455 13456 13457 13458 13459 13460
8660 atoms in group subset_Layer1
group subset_Layer1 id 13461 13462 13463 13464 13465 13466 13467 13468 13469 13470
8670 atoms in group subset_Layer1
group subset_Layer1 id 13471 13472 13473 13474 13475 13476 13477 13478 13479 13480
8680 atoms in group subset_Layer1
group subset_Layer1 id 13481 13482 13483 13484 13485 13486 13487 13488 13489 13490
8690 atoms in group subset_Layer1
group subset_Layer1 id 13491 13492 13493 13494 13495 13496 13497 13498 13499 13500
8700 atoms in group subset_Layer1
group subset_Layer1 id 13501 13502 13503 13504 13505 13506 13507 13508 13509 13510
8710 atoms in group subset_Layer1
group subset_Layer1 id 13511 13512 13513 13514 13515 13516 13517 13518 13519 13520
8720 atoms in group subset_Layer1
group subset_Layer1 id 13521 13522 13523 13524 13525 13526 13527 13528 13529 13530
8730 atoms in group subset_Layer1
group subset_Layer1 id 13531 13532 13533 13534 13535 13536 13537 13538 13539 13540
8740 atoms in group subset_Layer1
group subset_Layer1 id 13541 13542 13543 13544 13545 13546 13547 13548 13549 13550
8750 atoms in group subset_Layer1
group subset_Layer1 id 13551 13552 13553 13554 13555 13556 13557 13558 13559 13560
8760 atoms in group subset_Layer1
group subset_Layer1 id 13561 13562 13563 13564 13565 13566 13567 13568 13569 13570
8770 atoms in group subset_Layer1
group subset_Layer1 id 13571 13572 13573 13574 13575 13576 13577 13578 13579 13580
8780 atoms in group subset_Layer1
group subset_Layer1 id 13581 13582 13583 13584 13585 13586 13587 13588 13589 13590
8790 atoms in group subset_Layer1
group subset_Layer1 id 13591 13592 13593 13594 13595 13596 13597 13598 13599 13600
8800 atoms in group subset_Layer1
group subset_Layer1 id 13601 13602 13603 13604 13605 13606 13607 13608 13609 13610
8810 atoms in group subset_Layer1
group subset_Layer1 id 13611 13612 13613 13614 13615 13616 13617 13618 13619 13620
8820 atoms in group subset_Layer1
group subset_Layer1 id 13621 13622 13623 13624 13625 13626 13627 13628 13629 13630
8830 atoms in group subset_Layer1
group subset_Layer1 id 13631 13632 13633 13634 13635 13636 13637 13638 13639 13640
8840 atoms in group subset_Layer1
group subset_Layer1 id 13641 13642 13643 13644 13645 13646 13647 13648 13649 13650
8850 atoms in group subset_Layer1
group subset_Layer1 id 13651 13652 13653 13654 13655 13656 13657 13658 13659 13660
8860 atoms in group subset_Layer1
group subset_Layer1 id 13661 13662 13663 13664 13665 13666 13667 13668 13669 13670
8870 atoms in group subset_Layer1
group subset_Layer1 id 13671 13672 13673 13674 13675 13676 13677 13678 13679 13680
8880 atoms in group subset_Layer1
group subset_Layer1 id 13681 13682 13683 13684 13685 13686 13687 13688 13689 13690
8890 atoms in group subset_Layer1
group subset_Layer1 id 13691 13692 13693 13694 13695 13696 13697 13698 13699 13700
8900 atoms in group subset_Layer1
group subset_Layer1 id 13701 13702 13703 13704 13705 13706 13707 13708 13709 13710
8910 atoms in group subset_Layer1
group subset_Layer1 id 13711 13712 13713 13714 13715 13716 13717 13718 13719 13720
8920 atoms in group subset_Layer1
group subset_Layer1 id 13721 13722 13723 13724 13725 13726 13727 13728 13729 13730
8930 atoms in group subset_Layer1
group subset_Layer1 id 13731 13732 13733 13734 13735 13736 13737 13738 13739 13740
8940 atoms in group subset_Layer1
group subset_Layer1 id 13741 13742 13743 13744 13745 13746 13747 13748 13749 13750
8950 atoms in group subset_Layer1
group subset_Layer1 id 13751 13752 13753 13754 13755 13756 13757 13758 13759 13760
8960 atoms in group subset_Layer1
group subset_Layer1 id 13761 13762 13763 13764 13765 13766 13767 13768 13769 13770
8970 atoms in group subset_Layer1
group subset_Layer1 id 13771 13772 13773 13774 13775 13776 13777 13778 13779 13780
8980 atoms in group subset_Layer1
group subset_Layer1 id 13781 13782 13783 13784 13785 13786 13787 13788 13789 13790
8990 atoms in group subset_Layer1
group subset_Layer1 id 13791 13792 13793 13794 13795 13796 13797 13798 13799 13800
9000 atoms in group subset_Layer1
group subset_Layer1 id 13801 13802 13803 13804 13805 13806 13807 13808 13809 13810
9010 atoms in group subset_Layer1
group subset_Layer1 id 13811 13812 13813 13814 13815 13816 13817 13818 13819 13820
9020 atoms in group subset_Layer1
group subset_Layer1 id 13821 13822 13823 13824 13825 13826 13827 13828 13829 13830
9030 atoms in group subset_Layer1
group subset_Layer1 id 13831 13832 13833 13834 13835 13836 13837 13838 13839 13840
9040 atoms in group subset_Layer1
group subset_Layer1 id 13841 13842 13843 13844 13845 13846 13847 13848 13849 13850
9050 atoms in group subset_Layer1
group subset_Layer1 id 13851 13852 13853 13854 13855 13856 13857 13858 13859 13860
9060 atoms in group subset_Layer1
group subset_Layer1 id 13861 13862 13863 13864 13865 13866 13867 13868 13869 13870
9070 atoms in group subset_Layer1
group subset_Layer1 id 13871 13872 13873 13874 13875 13876 13877 13878 13879 13880
9080 atoms in group subset_Layer1
group subset_Layer1 id 13881 13882 13883 13884 13885 13886 13887 13888 13889 13890
9090 atoms in group subset_Layer1
group subset_Layer1 id 13891 13892 13893 13894 13895 13896 13897 13898 13899 13900
9100 atoms in group subset_Layer1
group subset_Layer1 id 13901
9101 atoms in group subset_Layer1
group subset_jiemian-K id 4825 4842
2 atoms in group subset_jiemian-K
group subset_jiemian-mg id 4929 5006
2 atoms in group subset_jiemian-mg
group subset_jiemian-Cl id 5161 5180 5210 5232 5250 5302 5316 5341 5374 5393
10 atoms in group subset_jiemian-Cl
group subset_jiemian-Cl id 5396 5397 5401 5411 5429
15 atoms in group subset_jiemian-Cl
group subset_jiemian-O id 5628 5676 5808 5973 6024 6063 6087 6108 6171 6213
10 atoms in group subset_jiemian-O
group subset_jiemian-O id 6309 6393 6411 6435 6447 6567 6609 6621 6669 6735
20 atoms in group subset_jiemian-O
group subset_jiemian-O id 6738 6762 6777 6825 6840 6876 6963 7002 7017 7140
30 atoms in group subset_jiemian-O
group subset_jiemian-O id 7203 7206 7347 7434 7449 7596 7605 7656 7692 7824
40 atoms in group subset_jiemian-O
group subset_jiemian-O id 7872 8013 8016 8019 8040 8175 8178 8343 8391 8427
50 atoms in group subset_jiemian-O
group subset_jiemian-O id 8709 8751 8796 8814 8817 8913 9033 9048 9066 9096
60 atoms in group subset_jiemian-O
group subset_jiemian-O id 9291 9360 9426 9447 9510 9528 9762 9912 9924 10071
70 atoms in group subset_jiemian-O
group subset_jiemian-O id 10086 10098 10140 10173 10215 10248 10251 10284 10320 10341
80 atoms in group subset_jiemian-O
group subset_jiemian-O id 10371 10440 10623 10665 10836 10845 10887 10938 10983 11007
90 atoms in group subset_jiemian-O
group subset_jiemian-O id 11094 11097 11163 11304 11334 11472 11490 11499 11598 11601
100 atoms in group subset_jiemian-O
group subset_jiemian-O id 11607 11616 11625 11646 11685 11688 11724 11757 11826 11844
110 atoms in group subset_jiemian-O
group subset_jiemian-O id 11988 12093 12186 12213 12237 12267 12309 12342 12387 12396
120 atoms in group subset_jiemian-O
group subset_jiemian-O id 12435 12450 12570 12600 12750 12798 12912 12999 13002 13113
130 atoms in group subset_jiemian-O
group subset_jiemian-O id 13227 13290 13302 13311 13467 13524 13545 13608 13665 13674
140 atoms in group subset_jiemian-O
group subset_jiemian-H id 5629 5630 5677 5809 5810 5974 5975 6025 6064 6088
10 atoms in group subset_jiemian-H
group subset_jiemian-H id 6089 6109 6110 6172 6173 6214 6215 6310 6311 6394
20 atoms in group subset_jiemian-H
group subset_jiemian-H id 6395 6412 6413 6436 6437 6448 6449 6497 6568 6569
30 atoms in group subset_jiemian-H
group subset_jiemian-H id 6610 6611 6622 6623 6670 6671 6736 6737 6739 6740
40 atoms in group subset_jiemian-H
group subset_jiemian-H id 6763 6764 6778 6779 6826 6827 6841 6842 6877 6878
50 atoms in group subset_jiemian-H
group subset_jiemian-H id 6947 6964 6965 7003 7004 7141 7142 7204 7205 7207
60 atoms in group subset_jiemian-H
group subset_jiemian-H id 7208 7348 7349 7435 7436 7450 7451 7597 7598 7606
70 atoms in group subset_jiemian-H
group subset_jiemian-H id 7607 7657 7658 7693 7694 7825 7826 7873 7874 8014
80 atoms in group subset_jiemian-H
group subset_jiemian-H id 8015 8017 8018 8020 8021 8041 8042 8176 8177 8179
90 atoms in group subset_jiemian-H
group subset_jiemian-H id 8180 8344 8345 8392 8393 8428 8429 8662 8663 8666
100 atoms in group subset_jiemian-H
group subset_jiemian-H id 8675 8710 8711 8753 8797 8798 8815 8816 8818 8819
110 atoms in group subset_jiemian-H
group subset_jiemian-H id 8914 8915 9035 9049 9050 9068 9097 9098 9292 9293
120 atoms in group subset_jiemian-H
group subset_jiemian-H id 9361 9362 9427 9428 9448 9449 9511 9512 9529 9763
130 atoms in group subset_jiemian-H
group subset_jiemian-H id 9764 9913 9914 9925 9926 10072 10073 10087 10088 10099
140 atoms in group subset_jiemian-H
group subset_jiemian-H id 10141 10174 10175 10216 10217 10249 10250 10252 10253 10285
150 atoms in group subset_jiemian-H
group subset_jiemian-H id 10286 10304 10321 10322 10342 10343 10372 10373 10441 10442
160 atoms in group subset_jiemian-H
group subset_jiemian-H id 10624 10625 10666 10667 10837 10838 10846 10847 10888 10889
170 atoms in group subset_jiemian-H
group subset_jiemian-H id 10939 10940 10984 10985 11008 11009 11095 11096 11098 11099
180 atoms in group subset_jiemian-H
group subset_jiemian-H id 11164 11165 11305 11306 11335 11336 11462 11473 11474 11491
190 atoms in group subset_jiemian-H
group subset_jiemian-H id 11492 11500 11501 11599 11600 11602 11608 11617 11618 11627
200 atoms in group subset_jiemian-H
group subset_jiemian-H id 11647 11648 11686 11687 11689 11690 11726 11758 11759 11827
210 atoms in group subset_jiemian-H
group subset_jiemian-H id 11828 11845 11846 11989 12094 12095 12187 12188 12214 12215
220 atoms in group subset_jiemian-H
group subset_jiemian-H id 12238 12239 12268 12269 12310 12311 12343 12344 12388 12389
230 atoms in group subset_jiemian-H
group subset_jiemian-H id 12397 12398 12436 12437 12451 12572 12601 12602 12751 12752
240 atoms in group subset_jiemian-H
group subset_jiemian-H id 12799 12800 12913 12914 13000 13001 13003 13004 13115 13228
250 atoms in group subset_jiemian-H
group subset_jiemian-H id 13229 13291 13292 13303 13304 13312 13313 13468 13469 13525
260 atoms in group subset_jiemian-H
group subset_jiemian-H id 13526 13546 13547 13609 13610 13666 13667 13676
268 atoms in group subset_jiemian-H
group subset_jiemian-Na id 4811
1 atoms in group subset_jiemian-Na
group subset_jiemian-S id 5453
1 atoms in group subset_jiemian-S
group subset_jiemian-OS id 5454 5455 5456 5457
4 atoms in group subset_jiemian-OS
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 = 0.0406 (../kspace.cpp:325)
using 12-bit tables for long-range coulomb (../kspace.cpp:340)
G vector (1/distance) = 0.25956456
grid = 30 40 60
stencil order = 5
estimated absolute RMS force accuracy = 0.0028924598
estimated relative force accuracy = 8.7105569e-06
using double precision KISS FFT
3d grid and FFT values/proc = 8228 2400
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 = 5 7 13
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) = 13.33 | 13.87 | 14.35 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 88.839974 3233.1467 353890.36 143799.62 1.371895 -336283.66 -356525.47 -368861.97 -6909.482 2438.2743 1767.4412 -160736.69 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 0.032793961 0.089658291 0.33315657
100 23.901653 108.71709 329692.95 143799.62 1.371895 -312588.14 -331979.58 -344511.12 -7034.8463 2298.4019 1615.226 -172358.9 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 0.74453625 4.5286002 -1.5550913
200 8.3876749 52.504653 329689.17 143799.62 1.371895 -312732.54 -332052.02 -344282.94 -7120.9641 2305.2164 1647.0191 -172811.15 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 0.11372963 -3.1342976 -25.9313
300 8.6633615 37.125115 329797.19 143799.62 1.371895 -312873.57 -332216.93 -344301.07 -7093.5788 2389.7736 1646.7368 -172967.32 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 -10.912949 -8.8110879 1.1247555
400 5.8104545 35.234599 329843.27 143799.62 1.371895 -312964.68 -332332.76 -344232.38 -7110.3564 2424.9843 1660.7585 -173074.15 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 3.4050947 4.6079925 -4.393249
500 2.981548 16.466513 329830.81 143799.62 1.371895 -312957 -332324.96 -344210.46 -7123.5749 2444.6905 1685.2995 -173125.11 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 1.2614288 -4.7582779 -2.9654559
600 3.0492694 20.030005 329930.43 143799.62 1.371895 -313092.3 -332371.69 -344327.29 -7103.757 2479.2029 1665.9529 -173150.16 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 3.3694403 3.6468054 -5.1491625
700 2.4937566 15.27002 329929.81 143799.62 1.371895 -313109.05 -332394.8 -344285.58 -7053.1543 2465.0569 1680.64 -173184.06 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 -1.0357295 8.2905103 -1.300341
800 2.5099739 14.986843 329981.38 143799.62 1.371895 -313165.28 -332427.24 -344351.61 -7041.581 2476.412 1690.921 -173200.56 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 6.9366556 16.618417 4.3109895
900 2.2926877 12.159796 330050.59 143799.62 1.371895 -313240.44 -332502.7 -344408.63 -7045.3011 2479.4902 1654.0035 -173222.74 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 4.1288561 12.328077 -8.4862206
1000 1.6739581 8.9212738 330071.45 143799.62 1.371895 -313266.97 -332554.22 -344393.15 -7047.6216 2482.5292 1639.4173 -173237.33 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 3.1454908 13.012144 -2.0125127
1100 4.0891304 16.473957 330093.91 143799.62 1.371895 -313323.88 -332552.69 -344405.17 -7036.4513 2476.135 1628.6867 -173245.97 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 2.0561173 11.718448 -1.7965113
1200 0.92277888 7.6560295 330087.46 143799.62 1.371895 -313312.66 -332561.89 -344387.83 -7029.9086 2464.068 1628.0895 -173262.08 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 1.7849328 12.305518 -1.7073259
1300 0.20625473 2.5164741 330086.42 143799.62 1.371895 -313314.42 -332551.5 -344393.36 -7028.9402 2471.2447 1610.956 -173265.04 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 2.0608439 12.344305 -1.9038606
1400 0.24063812 1.957888 330088.52 143799.62 1.371895 -313310.98 -332557.53 -344397.04 -7028.2697 2471.2681 1613.5856 -173265.31 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 1.6835919 11.530424 -1.6469793
1500 1.0637043 7.4905948 330104.36 143799.62 1.371895 -313319.46 -332564.96 -344428.66 -7015.2033 2466.5282 1612.2864 -173268.06 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 1.6639103 7.0030554 -1.7756543
1600 0.27526592 1.9644667 330109.79 143799.62 1.371895 -313328.41 -332572.21 -344428.75 -7018.5147 2467.7143 1619.5722 -173270.26 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 0.90954371 6.0099933 -0.094105885
1673 0.096086067 0.95641315 330108.62 143799.62 1.371895 -313327.95 -332570.87 -344427.06 -7019.2463 2466.8311 1619.5185 -173270.39 33.78995 48.916 87 1.5707963 1.5707963 1.5707963 0.77114728 5.2379851 -0.52431752
Loop time of 32.4663 on 32 procs for 1673 steps with 13901 atoms
98.8% CPU use with 32 MPI tasks x 1 OpenMP threads
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-160736.68623476 -173270.390468966 -173270.392448704
Force two-norm initial, final = 3233.1467 0.95641315
Force max component initial, final = 88.839974 0.096086067
Final line search alpha, max atom move = 0.0014000021 0.00013452069
Iterations, force evaluations = 1673 2759
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 14.486 | 17.979 | 25.08 | 89.2 | 55.38
Bond | 0.055335 | 0.068383 | 0.087365 | 3.7 | 0.21
Kspace | 5.0934 | 12.238 | 15.723 | 108.6 | 37.69
Neigh | 0.35084 | 0.35244 | 0.3533 | 0.1 | 1.09
Comm | 1.4874 | 1.5551 | 1.6416 | 3.9 | 4.79
Output | 0.0061905 | 0.0062039 | 0.0064339 | 0.1 | 0.02
Modify | 0.0042115 | 0.0075013 | 0.012408 | 2.2 | 0.02
Other | | 0.2592 | | | 0.80
Nlocal: 434.406 ave 527 max 381 min
Histogram: 8 6 9 0 1 0 0 0 0 8
Nghost: 8259.25 ave 8478 max 7947 min
Histogram: 7 1 0 0 0 0 8 7 4 5
Neighs: 243229 ave 343969 max 197690 min
Histogram: 13 7 3 1 0 0 0 0 3 5
Total # of neighbors = 7783332
Ave neighs/atom = 559.91166
Ave special neighs/atom = 1.8838932
Neighbor list builds = 40
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 1
Finding SHAKE clusters ...
0 = # of size 2 clusters
0 = # of size 3 clusters
0 = # of size 4 clusters
3728 = # 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) = 0.25956456
grid = 30 40 60
stencil order = 5
estimated absolute RMS force accuracy = 0.0028924598
estimated relative force accuracy = 8.7105569e-06
using double precision KISS FFT
3d grid and FFT values/proc = 8228 2400
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
1 1.00478 0.0879422 11184
2 97.7057 10.082 3728
Per MPI rank memory allocation (min/avg/max) = 13.46 | 13.65 | 14.1 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 334589.74 143799.62 1.371895 417.38826 42.791813 238.58018 0 0 276202.59 -77390.217 -383.45046 -379121.18 -180027.44 11461.157
SHAKE stats (type/ave/delta/count) on step 50000
1 0.97 1.54394e-06 11184
2 103.7 0.00011248 3728