tests/lammps/initial.data

(written by ASE)

33 atoms
2 atom types

0.0                    7.04  xlo xhi
0.0                    7.04  ylo yhi
0.0                    7.04  zlo zhi

Masses

     1      1.0079999997406976 # H
     2      58.693399984901454 # Ni

Atoms # atomic

     1   2                       0                       0                       0
     2   2                       0                    1.76                    1.76
     3   2                    1.76                       0                    1.76
     4   2                    1.76                    1.76                       0
     5   2                       0                       0                    3.52
     6   2                       0                    1.76      5.2800000000000002
     7   2                    1.76                       0      5.2800000000000002
     8   2                    1.76                    1.76                    3.52
     9   2                       0                    3.52                       0
    10   2                       0      5.2800000000000002                    1.76
    11   2                    1.76                    3.52                    1.76
    12   2                    1.76      5.2800000000000002                       0
    13   2                       0                    3.52                    3.52
    14   2                       0      5.2800000000000002      5.2800000000000002
    15   2                    1.76                    3.52      5.2800000000000002
    16   2                    1.76      5.2800000000000002                    3.52
    17   2                    3.52                       0                       0
    18   2                    3.52                    1.76                    1.76
    19   2      5.2800000000000002                       0                    1.76
    20   2      5.2800000000000002                    1.76                       0
    21   2                    3.52                       0                    3.52
    22   2                    3.52                    1.76      5.2800000000000002
    23   2      5.2800000000000002                       0      5.2800000000000002
    24   2      5.2800000000000002                    1.76                    3.52
    25   2                    3.52                    3.52                       0
    26   2                    3.52      5.2800000000000002                    1.76
    27   2      5.2800000000000002                    3.52                    1.76
    28   2      5.2800000000000002      5.2800000000000002                       0
    29   2                    3.52                    3.52                    3.52
    30   2                    3.52      5.2800000000000002      5.2800000000000002
    31   2      5.2800000000000002                    3.52      5.2800000000000002
    32   2      5.2800000000000002      5.2800000000000002                    3.52
    33   1                    3.52                    3.52                    3.52