lammps/examples/USER/eff/ECP/SiH4/data.SiH4.ang

32 lines
848 B
Plaintext

Created using cfg2lammps (c) AJB-2009
13 atoms
3 atom types
-529.177249 529.177249 xlo xhi
-529.177249 529.177249 ylo yhi
-529.177249 529.177249 zlo zhi
Masses
1 9.012182
2 1.007940
3 1.000000
Atoms
1 1 4.00 3 0.895049 0.000000 0.000000 0.000000
2 2 1.00 0 0.000000 -0.857184 0.857184 0.857184
3 2 1.00 0 0.000000 -0.857184 -0.857184 -0.857184
4 2 1.00 0 0.000000 0.857184 0.857184 -0.857184
5 2 1.00 0 0.000000 0.857184 -0.857184 0.857184
6 3 0.0 1 1.049888 -0.606029 0.606029 0.606029
7 3 0.0 -1 1.049888 -0.606029 0.606029 0.606029
8 3 0.0 1 1.049888 -0.606029 -0.606029 -0.606029
9 3 0.0 -1 1.049888 -0.606029 -0.606029 -0.606029
10 3 0.0 1 1.049888 0.606029 0.606029 -0.606029
11 3 0.0 -1 1.049888 0.606029 0.606029 -0.606029
12 3 0.0 1 1.049888 0.606029 -0.606029 0.606029
13 3 0.0 -1 1.049888 0.606029 -0.606029 0.606029