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

32 lines
807 B
Plaintext

Created using cfg2lammps (c) AJB-2009
13 atoms
3 atom types
-1000.000 1000.0 xlo xhi
-1000.000 1000.0 ylo yhi
-1000.000 1000.0 zlo zhi
Masses
1 28.086589324618736
2 1.007940
3 1.000000
Atoms
1 1 4.00 3 1.691398 0.000000 0.000000 0.000000
2 2 1.00 0 0.0 -1.619843 1.619843 1.619843
3 2 1.00 0 0.0 -1.619843 -1.619843 -1.619843
4 2 1.00 0 0.0 1.619843 1.619843 -1.619843
5 2 1.00 0 0.0 1.619843 -1.619843 1.619843
6 3 0.0 1 1.984000 -1.145229 1.145229 1.145229
7 3 0.0 -1 1.984000 -1.145229 1.145229 1.145229
8 3 0.0 1 1.984000 -1.145229 -1.145229 -1.145229
9 3 0.0 -1 1.984000 -1.145229 -1.145229 -1.145229
10 3 0.0 1 1.984000 1.145229 1.145229 -1.145229
11 3 0.0 -1 1.984000 1.145229 1.145229 -1.145229
12 3 0.0 1 1.984000 1.145229 -1.145229 1.145229
13 3 0.0 -1 1.984000 1.145229 -1.145229 1.145229