LAMMPS data file from msi2lmp v3.8 for water-class2b

      3 atoms
      2 bonds
      1 angles
      0 dihedrals
      0 impropers

   2 atom types
   1 bond types
   1 angle types

    -0.333333333     9.666666667 xlo xhi
    -0.333333333     9.666666667 ylo yhi
     0.000000000    10.000000000 zlo zhi

Masses

   1  15.999400
   2   1.007970

Pair Coeffs

   1   0.2740000000   3.6080000000 
   2   0.0130000000   1.0980000000 

Bond Coeffs

  1     0.9700   563.2800 -1428.2200  1902.1200 

Angle Coeffs

  1   103.7000    49.8400   -11.6000    -8.0000 

BondBond Coeffs

  1    -9.5000     0.9700     0.9700 

BondAngle Coeffs

  1    22.3500    22.3500     0.9700     0.9700 

Atoms

      1      1   1 -0.834000     5.000000000     5.000000000     5.000000000
      2      1   2  0.417000     4.000000000     5.000000000     5.000000000
      3      1   2  0.417000     5.000000000     4.000000000     5.000000000

Bonds

     1   1      1      2
     2   1      1      3

Angles

     1   1      2      1      3