LAMMPS data file. msi2lmp v3.9.7 / 24 Oct 2015 / CGCMM for water-class1

      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 # otip
   2   1.007970 # htip

Pair Coeffs # lj/cut/coul/long

   1   0.1520725945   3.1506561105 # otip
   2   0.0000000000   0.0000000000 # htip

Bond Coeffs # harmonic

   1   540.6336     0.9570 # otip-htip

Angle Coeffs # harmonic

   1    50.0000   104.5200 # htip-otip-htip

Atoms # full

      1      1   1 -0.834000     5.000000000     5.000000000     5.000000000   0   0   0 # otip
      2      1   2  0.417000     4.000000000     5.000000000     5.000000000   0   0   0 # htip
      3      1   2  0.417000     5.000000000     4.000000000     5.000000000   0   0   0 # htip

Bonds

     1   1      1      2
     2   1      1      3

Angles

     1   1      2      1      3