LAMMPS data file for water

24 atoms
16 bonds
8 angles
0 dihedrals
0 impropers

2 atom types
1 bond types
1 angle types
0 dihedral types
0 improper types

0.0 4.9325 xlo xhi
0.0 4.9325 ylo yhi
0.0 4.9325 zlo zhi

Masses

1 15.9994
2 1.008

Pair Coeffs

1 0.102 3.188
2 0.000 0.000

Bond Coeffs

1 450 0.9572

Angle Coeffs

1 55.0 104.52

Atoms

1 0 1 -0.83400 2.17919 0.196156 4.15513
2 0 2 0.41700  2.29785 4.8353 0.126003
3 0 2 0.41700 1.82037 1.07996 4.23498
4 0 1 -0.83400 4.65839 0.120414 0.305758
5 0 2 0.41700  4.67446 -0.0220991 4.29186
6 0 2 0.41700  4.28188 0.994196 0.410515
7 0 1 -0.83400 3.65045 2.40907 0.344349
8 0 2 0.41700  3.52052 2.1838 4.35565
9 0 2 0.41700 4.26579 3.14208 0.327669
10 0 1 -0.83400 1.21327 2.62177 4.15519
11 0 2 0.41700  1.47452 3.53837 4.0667
12 0 2 0.41700  1.20743 2.46396 0.16677
13 0 1 -0.83400 4.45777 4.47325 2.74192
14 0 2 0.41700  4.53396 4.49652 1.78804
15 0 2 0.41700 4.21354 3.56943 2.94119
16 0 1 -0.83400 2.04119 4.41585 1.64725
17 0 2 0.41700  2.26934 4.77582 2.50434
18 0 2 0.41700  1.69079 3.54574 1.83793
19 0 1 -0.83400 3.73384 1.97964 2.81949
20 0 2 0.41700  3.41083 2.22014 1.95113
21 0 2 0.41700 3.91914 1.04272 2.75561
22 0 1 -0.83400 1.20859 2.09853 1.68186
23 0 2 0.41700  1.01865 2.25693 2.60655
24 0 2 0.41700  1.16884 1.14674 1.58832

Bonds

1 1 1 2
2 1 1 3
3 1 4 5
4 1 4 6
5 1 7 8
6 1 7 9
7 1 10 11
8 1 10 12
9 1 13 14
10 1 13 15
11 1 16 17
12 1 16 18
13 1 19 20
14 1 19 21
15 1 22 23
16 1 22 24

Angles

1 1 2 1 3
2 1 5 4 6
3 1 8 7 9
4 1 11 10 12
5 1 14 13 15
6 1 17 16 18
7 1 20 19 21
8 1 23 22 24