lammps/examples/amoeba/dump.water_dimer.hippo.4.test

ITEM: TIMESTEP
0
ITEM: NUMBER OF ATOMS
6
ITEM: BOX BOUNDS ss ss ss
-1.4632357229999999e+00 9.3247372299999998e-01
-7.5570026690000003e-01 7.5527126690000002e-01
-8.9995638999999985e-03 2.9352285639000000e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -0.024616 -0.001154 -0.003748 6.77815 0.012441 10.1043
2 2 -0.244211 -0.000666 0.933978 -6.4757 -0.0067894 -2.41462
3 2 0.932234 -0.000406 -0.008705 -0.41382 -0.00540908 -7.21892
4 1 -0.892721 0.00012 2.77367 -11.9286 -0.00716387 3.29032
5 2 -1.463 0.75512 2.93387 6.01759 3.00398 -1.88265
6 2 -1.46181 -0.755549 2.93493 6.02238 -2.99706 -1.87845
ITEM: TIMESTEP
10
ITEM: NUMBER OF ATOMS
6
ITEM: BOX BOUNDS ss ss ss
-1.4632357229999999e+00 9.3247372299999998e-01
-7.5570026690000003e-01 7.5527126690000002e-01
-8.9995638999999985e-03 2.9352285639000000e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -0.0215682 -0.00114805 0.0012979 -6.21268 -0.00924301 -6.19628
2 2 -0.293095 -0.000710409 0.925512 6.99875 0.0060121 0.73377
3 2 0.933101 -0.000449223 -0.0710512 -0.501529 0.00371221 5.82975
4 1 -0.897884 0.000116793 2.77488 7.53966 0.00410482 -2.48587
5 2 -1.42223 0.790989 2.91963 -3.9083 -4.87571 1.06275
6 2 -1.42099 -0.791374 2.92075 -3.91591 4.87112 1.05588
ITEM: TIMESTEP
20
ITEM: NUMBER OF ATOMS
6
ITEM: BOX BOUNDS ss ss ss
-1.4632357229999999e+00 9.3247372299999998e-01
-7.5570026690000003e-01 7.5527126690000002e-01
-8.9995638999999985e-03 2.9352285639000000e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -0.0258564 -0.00115245 -0.000173159 6.03126 0.0103631 7.9915
2 2 -0.214264 -0.000636469 0.942735 -7.00136 -0.00592601 -0.60904
3 2 0.929001 -0.000430037 -0.0392653 0.701856 -0.0043552 -6.96821
4 1 -0.893054 0.000118973 2.77259 -8.83712 -0.00512625 2.54445
5 2 -1.46387 0.753541 2.92502 4.54888 4.85296 -1.48277
6 2 -1.46268 -0.753984 2.92608 4.55648 -4.84791 -1.47593
ITEM: TIMESTEP
30
ITEM: NUMBER OF ATOMS
6
ITEM: BOX BOUNDS ss ss ss
-1.4632357229999999e+00 9.3247372299999998e-01
-7.5570026690000003e-01 7.5527126690000002e-01
-8.9995638999999985e-03 2.9352285639000000e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -0.0237238 -0.00114526 0.00766999 -7.81865 -0.0119879 -8.3015
2 2 -0.241061 -0.000656856 0.943727 6.09288 0.0066852 2.69388
3 2 0.923032 -0.000493736 -0.123121 1.75879 0.00552582 5.88556
4 1 -0.897978 0.000115451 2.77309 11.6501 0.00727223 -2.82116
5 2 -1.42536 0.788259 2.90023 -5.83991 -2.07218 1.27305
6 2 -1.42412 -0.788676 2.90134 -5.84324 2.06468 1.27016
ITEM: TIMESTEP
40
ITEM: NUMBER OF ATOMS
6
ITEM: BOX BOUNDS ss ss ss
-1.4632357229999999e+00 9.3247372299999998e-01
-7.5570026690000003e-01 7.5527126690000002e-01
-8.9995638999999985e-03 2.9352285639000000e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -0.0292005 -0.00114894 0.00855106 5.6712 0.00787804 4.86214
2 2 -0.153199 -0.000576377 0.959922 -7.58451 -0.00449199 2.07976
3 2 0.919336 -0.000480028 -0.0995905 1.37912 -0.00359093 -6.63778
4 1 -0.89217 0.000118771 2.77132 -5.68638 -0.00321013 1.64962
5 2 -1.47004 0.751887 2.88738 3.10503 6.73714 -0.981624
6 2 -1.46886 -0.752392 2.88844 3.11554 -6.73373 -0.972121
ITEM: TIMESTEP
50
ITEM: NUMBER OF ATOMS
6
ITEM: BOX BOUNDS ss ss ss
-1.4632357229999999e+00 9.3247372299999998e-01
-7.5570026690000003e-01 7.5527126690000002e-01
-8.9995638999999985e-03 2.9352285639000000e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -0.0276682 -0.00114169 0.0171537 -7.90829 -0.012452 -8.85967
2 2 -0.185755 -0.000598779 0.964286 5.83022 0.00671605 3.0354
3 2 0.908646 -0.000541992 -0.175729 1.96931 0.00577867 6.00768
4 1 -0.895573 0.00011689 2.77245 11.8261 0.00822001 -1.54401
5 2 -1.4336 0.787999 2.84603 -5.85703 -2.08185 0.681764
6 2 -1.43237 -0.788505 2.84714 -5.86031 2.07358 0.678838
ITEM: TIMESTEP
60
ITEM: NUMBER OF ATOMS
6
ITEM: BOX BOUNDS ss ss ss
-1.4632357229999999e+00 9.3247372299999998e-01
-7.5570026690000003e-01 7.5527126690000002e-01
-8.9995638999999985e-03 2.9352285639000000e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -0.0340777 -0.00114581 0.0184647 7.2272 0.00951667 5.4479
2 2 -0.113434 -0.000533921 0.975674 -7.44659 -0.00496006 1.26816
3 2 0.909471 -0.000512535 -0.134923 -0.287426 -0.00476073 -6.43846
4 1 -0.888126 0.000122907 2.77269 -9.08281 -0.00670232 0.725333
5 2 -1.47838 0.753365 2.8077 4.79099 4.82306 -0.504859
6 2 -1.47719 -0.753996 2.80876 4.79863 -4.81616 -0.498076
ITEM: TIMESTEP
70
ITEM: NUMBER OF ATOMS
6
ITEM: BOX BOUNDS ss ss ss
-1.4632357229999999e+00 9.3247372299999998e-01
-7.5570026690000003e-01 7.5527126690000002e-01
-8.9995638999999985e-03 2.9352285639000000e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -0.0329631 -0.00113896 0.0269437 -6.82209 -0.00981599 -6.32682
2 2 -0.16378 -0.000570078 0.980622 6.44654 0.00529861 0.332147
3 2 0.899135 -0.000560623 -0.191768 0.56204 0.00474764 6.11404
4 1 -0.890774 0.0001215 2.77364 7.6207 0.00561833 -0.364449
5 2 -1.4359 0.790393 2.75878 -3.89983 -4.84574 0.12595
6 2 -1.43466 -0.791026 2.7599 -3.90736 4.83989 0.11913
ITEM: TIMESTEP
80
ITEM: NUMBER OF ATOMS
6
ITEM: BOX BOUNDS ss ss ss
-1.4632357229999999e+00 9.3247372299999998e-01
-7.5570026690000003e-01 7.5527126690000002e-01
-8.9995638999999985e-03 2.9352285639000000e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -0.0396799 -0.00114299 0.0287108 8.10782 0.0121934 8.26954
2 2 -0.101327 -0.000514632 0.989821 -6.98655 -0.00644087 -1.35375
3 2 0.902079 -0.000521504 -0.139604 -1.23495 -0.0056704 -6.67396
4 1 -0.883488 0.000127321 2.77377 -12.2256 -0.0109573 -1.83848
5 2 -1.47309 0.755263 2.71301 6.16734 2.89071 0.796293
6 2 -1.4719 -0.756019 2.71407 6.17192 -2.87983 0.800362
ITEM: TIMESTEP
90
ITEM: NUMBER OF ATOMS
6
ITEM: BOX BOUNDS ss ss ss
-1.4632357229999999e+00 9.3247372299999998e-01
-7.5570026690000003e-01 7.5527126690000002e-01
-8.9995638999999985e-03 2.9352285639000000e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -0.0383179 -0.00113532 0.0380883 -7.16334 -0.00889532 -4.6369
2 2 -0.149498 -0.00054848 0.995531 6.83221 0.00448143 -1.26419
3 2 0.889431 -0.00057205 -0.197356 0.916 0.00477871 5.76452
4 1 -0.886952 0.000122589 2.77093 7.29365 0.00587785 0.155791
5 2 -1.42602 0.790491 2.68716 -3.93543 -4.86013 -0.00619146
6 2 -1.42478 -0.791209 2.68827 -3.94309 4.85389 -0.0130349
ITEM: TIMESTEP
100
ITEM: NUMBER OF ATOMS
6
ITEM: BOX BOUNDS ss ss ss
-1.4632357229999999e+00 9.3247372299999998e-01
-7.5570026690000003e-01 7.5527126690000002e-01
-8.9995638999999985e-03 2.9352285639000000e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 -0.0443853 -0.00113803 0.0410221 7.36858 0.0108291 7.15279
2 2 -0.076648 -0.000485983 1.00287 -6.96363 -0.00585609 -0.543819
3 2 0.890615 -0.000542732 -0.157107 -0.3904 -0.00504823 -6.73186
4 1 -0.880834 0.000124898 2.7674 -9.13947 -0.00841726 -1.90715
5 2 -1.46341 0.754149 2.66816 4.55895 4.52404 1.01184
6 2 -1.46222 -0.754952 2.66922 4.56597 -4.51554 1.01819