MiniMD/miniMD_KokkosArray/data.eam at master · ozturkosu/MiniMD · GitHub

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LAMMPS data file from restart file: timestep = 0, procs = 12

32 atoms

1 atom types

0.000000 3.359192 xlo xhi
0.000000 3.359192 ylo yhi
0.000000 3.359192 zlo zhi

Masses

1 63.55

Atoms

1 1 0.000000 0.000000 0.000000
2 1 1.679596 0.000000 0.000000
3 1 0.839798 0.839798 0.000000
4 1 2.519394 0.839798 0.000000
5 1 0.000000 1.679596 0.000000
6 1 1.679596 1.679596 0.000000
7 1 0.839798 2.519394 0.000000
8 1 2.519394 2.519394 0.000000
9 1 0.839798 0.000000 0.839798
10 1 2.519394 0.000000 0.839798
11 1 0.000000 0.839798 0.839798
12 1 1.679596 0.839798 0.839798
13 1 0.839798 1.679596 0.839798
14 1 2.519394 1.679596 0.839798
15 1 0.000000 2.519394 0.839798
16 1 1.679596 2.519394 0.839798
17 1 0.000000 0.000000 1.679596
18 1 1.679596 0.000000 1.679596
19 1 0.839798 0.839798 1.679596
20 1 2.519394 0.839798 1.679596
21 1 0.000000 1.679596 1.679596
22 1 1.679596 1.679596 1.679596
23 1 0.839798 2.519394 1.679596
24 1 2.519394 2.519394 1.679596
25 1 0.839798 0.000000 2.519394
26 1 2.519394 0.000000 2.519394
27 1 0.000000 0.839798 2.519394
28 1 1.679596 0.839798 2.519394
29 1 0.839798 1.679596 2.519394
30 1 2.519394 1.679596 2.519394
31 1 0.000000 2.519394 2.519394
32 1 1.679596 2.519394 2.519394

Velocities

1 -1.300872 0.213301 -1.158837
2 0.791875 0.398876 -1.085260
3 -0.847856 -1.712185 -0.974895
4 1.244890 -1.526609 -0.901318
5 2.291263 0.955604 -0.864529
6 -0.394841 1.141180 -0.790952
7 -2.034570 -0.969881 -0.680587
8 0.058175 -0.784306 -0.607010
9 2.150921 -0.598730 -0.533433
10 -0.535183 -0.413154 -0.459856
11 0.51119 2.069059 -0.423068
12 -2.174914 2.254635 -0.349491
13 0.964206 0.143574 -0.239125
14 -1.721898 0.329150 -0.165548
15 -0.675525 -1.967488 -0.128761
16 1.417222 -1.781912 -0.055183
17 -1.268882 -1.596336 0.018394
18 0.823864 -1.410760 0.091971
19 -0.815867 1.257029 0.202337
20 1.276880 1.442605 0.275914
21 2.323253 -0.854032 0.312702
22 -0.362851 -0.668457 0.386279
23 -2.002582 1.999333 0.496644
24 0.090164 2.184908 0.570221
25 2.182911 2.370484 0.643798
26 -0.503193 -2.222790 0.717375
27 0.543180 0.259423 0.754164
28 -2.142924 0.444999 0.827741
29 0.996196 -1.666063 0.938106
30 -1.689908 -1.480487 1.011683
31 -0.643535 1.001725 1.048472
32 1.449211 1.187302 1.122049