testsystem.data

Hybrid Core-shell model. pair_style buck/coul/long/cs buck/coul/long

     7  atoms
     3  bonds
     0  angles
     0  dihedrals
     0  impropers

     3  atom types
     1  bond types

  0.0 24.95 xlo xhi
  0.0 24.95 ylo yhi
  0.0 17.0615 zlo zhi

Masses

1 40.078	
2 14.39946
3 1.59994

Atoms # full

1 1 1 2.000000 0.0 0.0 0.0
2 2 2 1.018487 1.28642 0.0 4.26538
3 2 3 -2.133000 1.28642 0.0 4.26538
4 3 2 1.018487 -0.64321 1.11407 4.26538
5 3 3 -2.133000 -0.64321 1.11407 4.26538
6 4 2 1.018487 1.85179 3.20739 4.26538
7 4 3 -2.133000 1.85179 3.20739 4.26538

Bonds

1 1 2 3
2 1 4 5
3 1 6 7


CS-Info

2 1
3 1
4 5
5 5
6 2
7 2