lammps/examples/USER/eff/ECP/Si2H6/data.Si2H6

41 lines
1.2 KiB
Plaintext

Created using cfg2lammps (c) AJB-2009
22 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 -1.176371
2 1 4.00 3 1.691398 0.000000 0.000000 1.176371
3 2 1.00 0 0.0 -2.280293 1.316528 -3.203870
4 2 1.00 0 0.0 2.280293 1.316528 -3.203870
5 2 1.00 0 0.0 0.000000 -2.633055 -3.203870
6 2 1.00 0 0.0 2.280293 -1.316528 3.203870
7 2 1.00 0 0.0 0.000000 2.633055 3.203870
8 2 1.00 0 0.0 -2.280293 -1.316528 3.203870
9 3 0.0 1 1.984000 -1.612167 0.930785 -2.916481
10 3 0.0 -1 1.984000 -1.612167 0.930785 -2.916481
11 3 0.0 1 1.984000 1.612167 0.930785 -2.916481
12 3 0.0 -1 1.984000 1.612167 0.930785 -2.916481
13 3 0.0 1 1.984000 0.000000 -1.861570 -2.916481
14 3 0.0 -1 1.984000 0.000000 -1.861570 -2.916481
15 3 0.0 1 1.810000 0.000000 0.000000 0.000000
16 3 0.0 -1 1.810000 0.000000 0.000000 0.000000
17 3 0.0 1 1.984000 1.612167 -0.930785 2.916481
18 3 0.0 -1 1.984000 1.612167 -0.930785 2.916481
19 3 0.0 1 1.984000 0.000000 1.861570 2.916481
20 3 0.0 -1 1.984000 0.000000 1.861570 2.916481
21 3 0.0 1 1.984000 -1.612167 -0.930785 2.916481
22 3 0.0 -1 1.984000 -1.612167 -0.930785 2.916481