lammps/examples/amoeba/dump.water_hexamer.amoeba.1.test

ITEM: TIMESTEP
0
ITEM: NUMBER OF ATOMS
18
ITEM: BOX BOUNDS ss ss ss
-2.5173543550999997e+00 2.6752353550999999e+00
-1.5223951870999999e+00 2.0181841871000001e+00
-1.7341615612999999e+00 2.2202425613000001e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -1.50217 -0.191359 1.43493 15.8836 -7.45837 3.84323
2 2 -0.601054 -0.596972 1.55372 -22.9153 9.01978 -0.990133
3 2 -2.0067 -0.422327 2.21985 1.01155 0.118537 -0.791932
4 1 -1.74457 -0.382348 -1.30914 -6.66041 -3.92202 8.41554
5 2 -1.88894 -0.479653 -0.347624 4.77968 3.15053 -8.64245
6 2 -2.51683 -0.766765 -1.73377 2.90782 1.57916 -0.744558
7 1 -0.560409 2.01783 -0.121984 -13.2194 -12.8195 1.43178
8 2 -0.94772 1.53357 0.625228 6.08473 6.021 -1.58068
9 2 -0.989831 1.59274 -0.877419 5.83415 5.52991 -0.337029
10 1 0.964803 -1.16576 1.43999 12.6547 2.88136 -21.3636
11 2 0.979557 -1.52204 0.527833 -3.6968 -1.92725 12.6575
12 2 1.54222 -0.393692 1.34437 -3.37883 -2.73031 5.998
13 1 0.974705 -1.4015 -1.33597 -6.12193 14.8514 -0.790538
14 2 0.065161 -1.11895 -1.52289 4.56017 -6.05436 1.71545
15 2 1.47071 -0.570933 -1.27771 1.31912 -7.40942 1.06098
16 1 2.00228 1.05782 -0.124502 -10.3736 10.8414 -1.12005
17 2 1.14164 1.53227 -0.140121 11.8812 -8.20067 0.772116
18 2 2.67472 1.73534 -0.237995 -0.550493 -3.47117 0.466398
ITEM: TIMESTEP
10
ITEM: NUMBER OF ATOMS
18
ITEM: BOX BOUNDS ss ss ss
-2.5173543550999997e+00 2.6752353550999999e+00
-1.5223951870999999e+00 2.0181841871000001e+00
-1.7341615612999999e+00 2.2202425613000001e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -1.50661 -0.189383 1.4364 14.5938 -8.99605 8.72579
2 2 -0.616993 -0.604745 1.5716 -17.7352 9.03346 -4.01613
3 2 -2.01184 -0.421588 2.22126 -0.664878 1.39015 -2.52743
4 1 -1.74564 -0.383429 -1.31051 0.451442 -0.432875 3.71075
5 2 -1.85676 -0.451272 -0.342641 -1.17801 0.27861 -9.12816
6 2 -2.51648 -0.764704 -1.74119 1.00433 0.523826 3.94489
7 1 -0.565581 2.01415 -0.121947 -0.431671 0.816258 1.37224
8 2 -0.923503 1.54613 0.649943 -0.836345 -0.35076 -8.91816
9 2 -0.954982 1.61593 -0.9136 -0.398984 -1.29665 6.9827
10 1 0.971315 -1.16462 1.43403 2.66632 -4.10463 -4.1745
11 2 0.960388 -1.57587 0.54557 3.80791 8.56867 8.0783
12 2 1.545 -0.38505 1.37422 -2.3984 -5.62816 -5.66197
13 1 0.972827 -1.39712 -1.33549 -1.10638 0.442925 0.267527
14 2 0.0526434 -1.14464 -1.51395 7.06933 2.8298 1.48943
15 2 1.50554 -0.590868 -1.25662 -6.54392 -2.53639 -0.258333
16 1 2.00275 1.0584 -0.124848 -7.13185 5.38221 -0.0306111
17 2 1.13969 1.52381 -0.134074 11.7308 -4.5992 -0.113372
18 2 2.68869 1.72277 -0.237084 -2.89819 -1.32119 0.257039
ITEM: TIMESTEP
20
ITEM: NUMBER OF ATOMS
18
ITEM: BOX BOUNDS ss ss ss
-2.5173543550999997e+00 2.6752353550999999e+00
-1.5223951870999999e+00 2.0181841871000001e+00
-1.7341615612999999e+00 2.2202425613000001e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -1.51649 -0.18584 1.44395 5.65501 -4.20149 4.07802
2 2 -0.637196 -0.60535 1.5789 -10.2535 4.51311 -0.350867
3 2 -2.05196 -0.408647 2.21473 3.52072 0.575858 -3.20585
4 1 -1.74216 -0.383007 -1.31779 -5.65244 -1.7459 7.46957
5 2 -1.85838 -0.422286 -0.35262 3.57624 0.698487 -5.03248
6 2 -2.53778 -0.772973 -1.68856 2.62304 1.05785 -2.46299
7 1 -0.568621 2.01502 -0.121788 -7.49291 -10.5083 -0.07078
8 2 -0.953332 1.50031 0.601729 3.90339 5.1027 1.32659
9 2 -0.948304 1.59097 -0.90055 3.2198 4.86429 -1.5712
10 1 0.981527 -1.16776 1.43139 8.19382 2.30469 -14.0571
11 2 0.999682 -1.57682 0.548153 -4.17545 -1.46604 7.90595
12 2 1.55686 -0.401102 1.29785 -3.41945 -1.35828 5.31582
13 1 0.971997 -1.39727 -1.33295 -3.50737 11.1512 0.685267
14 2 0.0679408 -1.0929 -1.49373 1.59713 -5.72522 -0.144088
15 2 1.47933 -0.582056 -1.22295 2.04209 -4.76253 -0.234646
16 1 2.00557 1.05551 -0.12468 -4.4992 7.40197 -0.448564
17 2 1.16008 1.5422 -0.129327 5.1837 -4.83397 0.46283
18 2 2.69054 1.72007 -0.238059 -0.51465 -3.06849 0.334482
ITEM: TIMESTEP
30
ITEM: NUMBER OF ATOMS
18
ITEM: BOX BOUNDS ss ss ss
-2.5173543550999997e+00 2.6752353550999999e+00
-1.5223951870999999e+00 2.0181841871000001e+00
-1.7341615612999999e+00 2.2202425613000001e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -1.52872 -0.18011 1.45173 -0.933277 -2.21949 5.98424
2 2 -0.665459 -0.602256 1.60472 0.633036 0.719099 -1.22127
3 2 -2.07366 -0.404666 2.21589 2.60377 1.4581 -4.42661
4 1 -1.74225 -0.382648 -1.3226 2.4731 1.57235 -0.799694
5 2 -1.81423 -0.398932 -0.35676 -3.06045 -1.92828 -1.63228
6 2 -2.5352 -0.77665 -1.69294 0.0233925 -0.139311 2.03217
7 1 -0.576286 2.0073 -0.122823 5.68391 5.42307 0.543301
8 2 -0.95235 1.50691 0.611905 -2.48677 -2.29116 -3.6455
9 2 -0.915502 1.63076 -0.941481 -3.12923 -3.02599 2.90572
10 1 0.998541 -1.16996 1.42191 -2.76709 -0.0175982 4.85417
11 2 0.970261 -1.63876 0.575717 2.4618 4.28015 -0.493825
12 2 1.54742 -0.386783 1.27666 -1.41861 -3.70889 -3.67396
13 1 0.969317 -1.3895 -1.32829 2.03562 -5.48364 0.295138
14 2 0.0583035 -1.11723 -1.49206 1.73159 3.49229 -0.0543931
15 2 1.50655 -0.600283 -1.19205 -3.9925 1.94925 -1.04523
16 1 2.00848 1.05446 -0.124132 1.88868 -1.58075 0.754117
17 2 1.16959 1.53865 -0.11771 0.573913 1.34283 -0.58573
18 2 2.71517 1.69464 -0.239075 -2.32089 0.157967 0.209615
ITEM: TIMESTEP
40
ITEM: NUMBER OF ATOMS
18
ITEM: BOX BOUNDS ss ss ss
-2.5173543550999997e+00 2.6752353550999999e+00
-1.5223951870999999e+00 2.0181841871000001e+00
-1.7341615612999999e+00 2.2202425613000001e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -1.53726 -0.175397 1.46121 -7.56641 2.45844 -0.518817
2 2 -0.675238 -0.584022 1.60915 7.85196 -3.99237 1.67217
3 2 -2.08862 -0.402087 2.21789 3.0617 0.39778 -2.04562
4 1 -1.73949 -0.379604 -1.32819 -2.36016 -0.787528 -0.0315325
5 2 -1.83346 -0.428429 -0.37056 1.90026 0.717301 4.17358
6 2 -2.53017 -0.786871 -1.68316 0.151557 -0.108901 -3.75615
7 1 -0.576955 2.0043 -0.124416 -0.431513 -1.54355 -1.46354
8 2 -0.992092 1.48382 0.567817 1.09284 0.418387 6.78235
9 2 -0.944746 1.62819 -0.925975 0.76441 1.37882 -5.22407
10 1 1.00941 -1.17308 1.4189 -1.85973 4.64458 1.0889
11 2 0.973659 -1.6403 0.580693 -1.69219 -4.78957 -3.29195
12 2 1.53559 -0.396477 1.19908 0.544307 1.46508 3.63166
13 1 0.969009 -1.38744 -1.3228 -0.275569 1.85307 -0.63583
14 2 0.0737932 -1.09141 -1.50366 -4.66851 -2.83882 -1.16892
15 2 1.46633 -0.576681 -1.19175 5.00795 0.70617 0.521536
16 1 2.01183 1.05054 -0.121932 4.41526 -1.70685 -0.0836272
17 2 1.19121 1.55327 -0.120038 -7.25224 2.19125 0.154184
18 2 2.71636 1.68982 -0.237383 1.31607 -0.463304 0.195666
ITEM: TIMESTEP
50
ITEM: NUMBER OF ATOMS
18
ITEM: BOX BOUNDS ss ss ss
-2.5173543550999997e+00 2.6752353550999999e+00
-1.5223951870999999e+00 2.0181841871000001e+00
-1.7341615612999999e+00 2.2202425613000001e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -1.53986 -0.172749 1.46865 -10.3641 5.96951 -4.41562
2 2 -0.678724 -0.568486 1.60775 14.9207 -7.13278 2.04782
3 2 -2.07217 -0.405364 2.23045 -0.725799 -0.490948 1.77161
4 1 -1.74113 -0.378171 -1.32957 5.99712 2.85952 -9.13842
5 2 -1.82713 -0.447378 -0.375703 -3.89226 -1.3818 7.11516
6 2 -2.4999 -0.790471 -1.74187 -3.02333 -1.60416 1.77146
7 1 -0.579496 1.99691 -0.128028 9.72738 10.7655 -0.463519
8 2 -0.97832 1.50522 0.591572 -4.4866 -5.64841 2.33138
9 2 -0.951447 1.66071 -0.944057 -3.97244 -4.92262 -1.79974
10 1 1.01358 -1.17192 1.41393 -6.48605 2.83151 13.495
11 2 0.960671 -1.668 0.598799 0.887838 -3.18341 -9.75086
12 2 1.53449 -0.394669 1.19537 2.46945 2.14925 -1.89795
13 1 0.966791 -1.38037 -1.31946 4.73561 -12.449 -1.17286
14 2 0.0653014 -1.12956 -1.52441 -4.76491 5.51904 -0.304595
15 2 1.48076 -0.580834 -1.19775 0.0522693 6.36707 0.249418
16 1 2.01309 1.04924 -0.119438 7.79557 -11.0594 0.778107
17 2 1.18753 1.53519 -0.124654 -9.57007 7.63584 -0.456674
18 2 2.72824 1.67508 -0.226016 0.699647 3.77524 -0.159727
ITEM: TIMESTEP
60
ITEM: NUMBER OF ATOMS
18
ITEM: BOX BOUNDS ss ss ss
-2.5173543550999997e+00 2.6752353550999999e+00
-1.5223951870999999e+00 2.0181841871000001e+00
-1.7341615612999999e+00 2.2202425613000001e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -1.535 -0.173529 1.47468 -12.8115 9.37187 -10.8344
2 2 -0.673508 -0.564245 1.59147 19.3914 -9.12777 2.73797
3 2 -2.04099 -0.404174 2.24807 -3.82175 -1.70255 6.71674
4 1 -1.73996 -0.376347 -1.33351 0.570165 0.280665 -6.43548
5 2 -1.87928 -0.466718 -0.390362 1.26398 0.876645 10.7815
6 2 -2.48657 -0.801116 -1.75201 -2.14828 -1.00411 -3.66812
7 1 -0.576718 1.99595 -0.131852 3.14419 3.30092 -1.47913
8 2 -0.97416 1.49195 0.577492 -1.32391 -2.58987 8.72867
9 2 -0.983297 1.63168 -0.91691 -0.334419 -0.770035 -7.07098
10 1 1.00791 -1.1681 1.41401 -6.20027 1.07549 12.575
11 2 0.972875 -1.65454 0.593802 -0.476084 -5.46772 -10.3478
12 2 1.54632 -0.404877 1.20306 3.83119 5.88484 -0.834958
13 1 0.966385 -1.38017 -1.32091 1.49436 -4.60495 -1.57148
14 2 0.0722824 -1.10128 -1.51274 -8.16812 -0.531008 -1.13308
15 2 1.45394 -0.565765 -1.20718 7.01226 4.42564 1.66198
16 1 2.01308 1.04537 -0.116618 6.94232 -7.944 0.350248
17 2 1.19126 1.53332 -0.135036 -13.3157 5.74475 0.221956
18 2 2.70715 1.69348 -0.205764 4.95008 2.7812 -0.398561
ITEM: TIMESTEP
70
ITEM: NUMBER OF ATOMS
18
ITEM: BOX BOUNDS ss ss ss
-2.5173543550999997e+00 2.6752353550999999e+00
-1.5223951870999999e+00 2.0181841871000001e+00
-1.7341615612999999e+00 2.2202425613000001e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -1.52447 -0.177745 1.47754 -14.009 12.5988 -14.9127
2 2 -0.663619 -0.56979 1.57126 20.9018 -10.2143 3.8986
3 2 -2.00537 -0.388653 2.26816 -5.41735 -2.91391 10.0958
4 1 -1.74327 -0.377755 -1.33511 7.69657 4.1782 -9.73798
5 2 -1.88018 -0.439682 -0.388162 -4.07322 -2.33918 9.17346
6 2 -2.47021 -0.801057 -1.79014 -4.11028 -2.07522 1.70143
7 1 -0.576352 1.99233 -0.135801 8.33914 8.33997 -1.40304
8 2 -0.93279 1.50467 0.607511 -5.01196 -5.05095 3.69276
9 2 -0.967697 1.61396 -0.924499 -2.96791 -3.60448 -2.11522
10 1 0.996682 -1.16249 1.41603 -5.52393 -2.7768 9.00886
11 2 0.982553 -1.62276 0.577115 -1.00274 -4.80219 -7.71302
12 2 1.55168 -0.404501 1.24312 4.97383 8.09577 -0.603791
13 1 0.964232 -1.37715 -1.32734 3.83388 -12.0598 -0.0980446
14 2 0.0575072 -1.10802 -1.48098 -4.628 4.85469 -1.01689
15 2 1.48931 -0.58697 -1.19891 1.1914 7.02562 -0.119366
16 1 2.01083 1.04528 -0.114231 6.83173 -12.9986 1.26494
17 2 1.17034 1.50303 -0.133551 -9.79274 8.34256 -0.476042
18 2 2.7022 1.69874 -0.182183 2.76884 5.3999 -0.639748
ITEM: TIMESTEP
80
ITEM: NUMBER OF ATOMS
18
ITEM: BOX BOUNDS ss ss ss
-2.5173543550999997e+00 2.6752353550999999e+00
-1.5223951870999999e+00 2.0181841871000001e+00
-1.7341615612999999e+00 2.2202425613000001e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -1.51177 -0.182537 1.47592 -13.1365 10.3139 -11.8951
2 2 -0.654143 -0.583091 1.57918 18.6975 -8.17701 1.44433
3 2 -1.97348 -0.365352 2.2852 -6.58467 -1.56222 9.05296
4 1 -1.74352 -0.377279 -1.33693 -0.505822 0.308788 -3.25308
5 2 -1.91188 -0.438855 -0.39405 1.95743 0.358158 9.20234
6 2 -2.48397 -0.807922 -1.76244 -1.16931 -0.70018 -3.86005
7 1 -0.571778 1.99034 -0.138544 1.3921 0.315501 -1.43854
8 2 -0.938419 1.50232 0.602337 -1.22478 -1.30903 4.8686
9 2 -0.959599 1.56918 -0.90914 -0.0288155 0.574454 -3.52808
10 1 0.985435 -1.15713 1.41811 -6.25848 -6.25702 9.27302
11 2 0.972167 -1.59168 0.560031 1.69554 -0.201305 -5.06875
12 2 1.54032 -0.386652 1.30283 4.96928 5.72762 -4.15176
13 1 0.963614 -1.3793 -1.33436 0.183354 -1.1048 0.823621
14 2 0.065336 -1.06423 -1.45856 -4.4409 -1.33366 -2.05511
15 2 1.49256 -0.587857 -1.21654 4.36346 2.23441 0.338535
16 1 2.00803 1.04345 -0.110717 3.61274 -3.25471 0.639326
17 2 1.16919 1.51061 -0.133404 -8.46417 2.50048 0.10369
18 2 2.67828 1.72068 -0.16597 4.94198 1.56662 -0.49597
ITEM: TIMESTEP
90
ITEM: NUMBER OF ATOMS
18
ITEM: BOX BOUNDS ss ss ss
-2.5173543550999997e+00 2.6752353550999999e+00
-1.5223951870999999e+00 2.0181841871000001e+00
-1.7341615612999999e+00 2.2202425613000001e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -1.50159 -0.186388 1.47232 -10.1666 8.56134 -9.06842
2 2 -0.637201 -0.589948 1.58141 9.00709 -5.13609 3.43504
3 2 -1.97805 -0.327506 2.28752 -1.76215 -2.05269 5.01359
4 1 -1.7485 -0.377921 -1.33249 5.81313 3.27044 -5.4853
5 2 -1.87141 -0.433051 -0.37781 -3.50795 -2.5324 4.09176
6 2 -2.48522 -0.804273 -1.77362 -2.18894 -1.0456 2.79096
7 1 -0.568425 1.98378 -0.140489 1.33268 1.60885 -0.760228
8 2 -0.945484 1.51375 0.61188 -1.03442 -1.79649 -0.570033
9 2 -0.936389 1.56212 -0.924193 -1.07342 -0.200973 1.02154
10 1 0.975854 -1.15481 1.42351 1.86741 -2.52595 -4.21318
11 2 0.98193 -1.53917 0.537259 -2.6087 -4.02599 1.03016
12 2 1.52752 -0.379325 1.30866 2.98513 5.11632 2.51897
13 1 0.962056 -1.37771 -1.33914 1.58342 -3.36145 0.893222
14 2 0.0608833 -1.06855 -1.4877 0.530861 1.7595 -0.414339
15 2 1.52774 -0.603203 -1.25083 -2.15602 1.98356 -0.537593
16 1 2.00483 1.04652 -0.10624 2.44039 -5.05754 0.604689
17 2 1.15126 1.49959 -0.126569 -0.261743 3.34267 -0.115684
18 2 2.69252 1.71134 -0.15978 -0.800158 2.09248 -0.235157
ITEM: TIMESTEP
100
ITEM: NUMBER OF ATOMS
18
ITEM: BOX BOUNDS ss ss ss
-2.5173543550999997e+00 2.6752353550999999e+00
-1.5223951870999999e+00 2.0181841871000001e+00
-1.7341615612999999e+00 2.2202425613000001e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -1.49915 -0.184572 1.46491 -1.64286 -0.923423 4.11541
2 2 -0.634606 -0.601439 1.61658 -0.503947 1.48506 -2.91046
3 2 -1.9835 -0.312527 2.28463 -1.23961 0.673264 -1.96712
4 1 -1.74898 -0.375873 -1.32741 -4.05983 -3.09974 1.92324
5 2 -1.86884 -0.471305 -0.372769 3.24632 2.33491 1.76011
6 2 -2.50916 -0.806172 -1.72327 1.14638 0.924599 -3.12385
7 1 -0.564884 1.97778 -0.142101 -4.14881 -3.0738 -0.168062
8 2 -0.958996 1.4911 0.595477 2.25574 1.20147 -1.85844
9 2 -0.937749 1.56372 -0.930264 1.31445 2.00952 1.76263
10 1 0.975211 -1.15256 1.42364 -0.947501 -4.6035 2.62584
11 2 0.950951 -1.55837 0.541757 3.10583 4.89391 1.85772
12 2 1.52342 -0.363228 1.34082 0.672959 -1.69053 -5.30235
13 1 0.962361 -1.37851 -1.34242 -1.40487 6.54708 -1.50719
14 2 0.0703818 -1.05861 -1.53269 1.44041 -3.14031 1.12109
15 2 1.51335 -0.586474 -1.29057 -0.612624 -3.69916 1.63647
16 1 2.00445 1.04687 -0.100669 -1.02523 8.04786 -0.336895
17 2 1.16075 1.52969 -0.119062 2.24423 -4.67525 0.190963
18 2 2.68635 1.72058 -0.160395 0.158945 -3.21195 0.180894