lammps/examples/USER/eff/fixed-core/CH4/data.CH4fc.bohr

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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 12.011789324618736
2 1.007940
3 0.0005446623093682
Atoms
1 1 6.000000 2 0.329126 0.000000 0.000000 0.000000
2 2 1.000000 0 0.0 1.185992 1.185992 1.185992
3 2 1.000000 0 0.0 1.185992 -1.185992 -1.185992
4 2 1.000000 0 0.0 -1.185992 1.185992 -1.185992
5 2 1.000000 0 0.0 -1.185992 -1.185992 1.185992
6 3 0.0 1 1.511128 0.592996 0.592996 0.592996
7 3 0.0 -1 1.511128 0.592996 0.592996 0.592996
8 3 0.0 1 1.511128 0.592996 -0.592996 -0.592996
9 3 0.0 -1 1.511128 0.592996 -0.592996 -0.592996
10 3 0.0 1 1.511128 -0.592996 0.592996 -0.592996
11 3 0.0 -1 1.511128 -0.592996 0.592996 -0.592996
12 3 0.0 1 1.511128 -0.592996 -0.592996 0.592996
13 3 0.0 -1 1.511128 -0.592996 -0.592996 0.592996